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Thrombin

PDB ID Authors First Page Journal Name Title Volume No Publication Year
1A0H P.D.Martin, M.G.Malkowski, J.Box, C.T.Esmon, B.F.Edwards 1681 Structure New insights into the regulation of the blood clotting cascade derived from the X-ray crystal structure of bovine meizothrombin des F1 in complex with PPACK. 5 1997
1A2C J.L.R.Steiner, M.Murakami, A.Tulinsky 597 J Am Chem Soc Structure of thrombin inhibited by aeruginosin 298-A from a blue-green alga. 120 1998
1A3B A.Zdanov, S.Wu, J.DiMaio, Y.Konishi, Y.Li, X.Wu, B.F.Edwards, P.D.Martin, M.Cygler 252 Proteins Crystal structure of the complex of human alpha-thrombin and nonhydrolyzable bifunctional inhibitors, hirutonin-2 and hirutonin-6. 17 1993
1A3E A.Zdanov, S.Wu, J.DiMaio, Y.Konishi, Y.Li, X.Wu, B.F.Edwards, P.D.Martin, M.Cygler 252 Proteins Crystal structure of the complex of human alpha-thrombin and nonhydrolyzable bifunctional inhibitors, hirutonin-2 and hirutonin-6. 17 1993
1A4W J.H.Matthews, R.Krishnan, M.J.Costanzo, B.E.Maryanoff, A.Tulinsky 2830 Biophys J Crystal structures of thrombin with thiazole-containing inhibitors: probes of the S1' binding site. 71 1996
1A61 R.St Charles, J.H.Matthews, E.L.Zhang, A.Tulinsky 1376 J Med Chem Bound structures of novel P3-P1 ' beta-strand mimetic inhibitors of thrombin. 42 1999
1ABI X.Qiu, K.P.Padmanabhan, V.E.Carperos, A.Tulinsky, T.Kline, J.M.Maraganore, .2.Fenton 2d 11689 Biochemistry Structure of the hirulog 3-thrombin complex and nature of the S' subsites of substrates and inhibitors. 31 1992
1ABJ X.Qiu, K.P.Padmanabhan, V.E.Carperos, A.Tulinsky, T.Kline, J.M.Maraganore, .2.Fenton 2d 11689 Biochemistry Structure of the hirulog 3-thrombin complex and nature of the S' subsites of substrates and inhibitors. 31 1992
1AD8 J.A.Malikayil, J.P.Burkhart, H.A.Schreuder, R.J.Broersma Jr., C.Tardif, .3.Kutcher 3rd, S.Mehdi, G.L.Schatzman, B.Neises, N.P.Peet 1034 Biochemistry Molecular design and characterization of an alpha-thrombin inhibitor containing a novel P1 moiety. 36 1997
1AHT Z.Chen, Y.Li, A.M.Mulichak, S.D.Lewis, J.A.Shafer 198 Arch Biochem Biophys Crystal structure of human alpha-thrombin complexed with hirugen and p-amidinophenylpyruvate at 1.6 A resolution. 322 1995
1AI8 W.Bode, D.Turk, A.Karshikov 426 Protein Sci The refined 1.9-A X-ray crystal structure of D-Phe-Pro-Arg chloromethylketone-inhibited human alpha-thrombin: structure analysis, overall structure, electrostatic properties, detailed active-site geometry, and structure-function relationships. 1 1992
1AIX W.Bode, D.Turk, A.Karshikov 426 Protein Sci The refined 1.9-A X-ray crystal structure of D-Phe-Pro-Arg chloromethylketone-inhibited human alpha-thrombin: structure analysis, overall structure, electrostatic properties, detailed active-site geometry, and structure-function relationships. 1 1992
1ANT R.W.Carrell, P.E.Stein, G.Fermi, M.R.Wardell 257 Structure Biological implications of a 3 A structure of dimeric antithrombin [see comments] 2 1994
1ATH H.A.Schreuder, B.de Boer, R.Dijkema, J.Mulders, H.J.Theunissen, P.D.Grootenhuis, W.G.Hol 48 Nat Struct Biol The intact and cleaved human antithrombin III complex as a model for serpin-proteinase interactions. 1 1994
1ATT L.Mourey, J.P.Samama, M.Delarue, M.Petitou, J.Choay, D.Moras 223 J Mol Biol Crystal structure of cleaved bovine antithrombin III at 3.2 A resolution. 232 1993
1AVG P.Fuentes-Prior, C.Noeske-Jungblut, P.Donner, W.D.Schleuning, R.Huber, W.Bode 11845 Proc Natl Acad Sci U S A Structure of the thrombin complex with triabin, a lipocalin-like exosite-binding inhibitor derived from a triatomine bug. 94 1997
1AWF M.P.Weir, S.S.Bethell, A.Cleasby, C.J.Campbell, R.J.Dennis, C.J.Dix, H.Finch, H.Jhoti, C.J.Mooney, S.Patel, C.M.Tang, M.Ward, A.J.Wonacott, C.W.Wharton 6645 Biochemistry Novel natural product 5,5-trans-lactone inhibitors of human alpha- thrombin: mechanism of action and structural studies. 37 1998
1AWH M.P.Weir, S.S.Bethell, A.Cleasby, C.J.Campbell, R.J.Dennis, C.J.Dix, H.Finch, H.Jhoti, C.J.Mooney, S.Patel, C.M.Tang, M.Ward, A.J.Wonacott, C.W.Wharton 6645 Biochemistry Novel natural product 5,5-trans-lactone inhibitors of human alpha- thrombin: mechanism of action and structural studies. 37 1998
1AY6 B.E.Maryanoff, X.Qiu, K.P.Padmanabhan, A.Tulinsky, H.R.Almond Jr., P.Andrade-Gordon, M.N.Greco, J.A.Kauffman, K.C.Nicolaou, A.Liu, et al. 8048 Proc Natl Acad Sci U S A Molecular basis for the inhibition of human alpha-thrombin by the macrocyclic peptide cyclotheonamide A. 90 1993
1AZX L.Jin, J.P.Abrahams, R.Skinner, M.Petitou, R.N.Pike, R.W.Carrell 14683 Proc Natl Acad Sci U S A The anticoagulant activation of antithrombin by heparin. 94 1997
1B7X E.R.Guinto, S.Caccia, T.Rose, K.Futterer, G.Waksman, E.Di Cera 1852 Proc Natl Acad Sci U S A Unexpected crucial role of residue 225 in serine proteases. 96 1999
1BA8 R.Krishnan, E.Zhang, K.Hakansson, R.K.Arni, A.Tulinsky, M.S.Lim-Wilby, O.E.Levy, J.E.Semple, T.K.Brunck 12094 Biochemistry Highly selective mechanism-based thrombin inhibitors: structures of thrombin and trypsin inhibited with rigid peptidyl aldehydes. 37 1998
1BB0 R.Krishnan, E.Zhang, K.Hakansson, R.K.Arni, A.Tulinsky, M.S.Lim-Wilby, O.E.Levy, J.E.Semple, T.K.Brunck 12094 Biochemistry Highly selective mechanism-based thrombin inhibitors: structures of thrombin and trypsin inhibited with rigid peptidyl aldehydes. 37 1998
1BBR P.D.Martin, W.Robertson, D.Turk, R.Huber, W.Bode, B.F.Edwards 7911 J Biol Chem The structure of residues 7-16 of the A alpha-chain of human fibrinogen bound to bovine thrombin at 2.3-A resolution. 267 1992
1BCU E.Conti, C.Rivetti, A.Wonacott, P.Brick 229 FEBS Lett X-ray and spectrophotometric studies of the binding of proflavin to the S1 specificity pocket of human alpha-thrombin. 425 1998
1BHX J.Wagner, J.Kallen, C.Ehrhardt, J.P.Evenou, D.Wagner 3664 J Med Chem Rational design, synthesis, and X-ray structure of selective noncovalent thrombin inhibitors. 41 1998
1BMM M.F.Malley, L.Tabernero, C.Y.Chang, S.L.Ohringer, D.G.Roberts, J.Das, J.S.Sack 221 Protein Sci Crystallographic determination of the structures of human alpha-thrombin complexed with BMS-186282 and BMS-189090. 5 1996
1BMN M.F.Malley, L.Tabernero, C.Y.Chang, S.L.Ohringer, D.G.Roberts, J.Das, J.S.Sack 221 Protein Sci Crystallographic determination of the structures of human alpha-thrombin complexed with BMS-186282 and BMS-189090. 5 1996
1BR8 R.Skinner, W.S.Chang, L.Jin, X.Pei, J.A.Huntington, J.P.Abrahams, R.W.Carrell, D.A.Lomas 9 J Mol Biol Implications for function and therapy of a 2.9 A structure of binary- complexed antithrombin. 283 1998
1BTH A.van de Locht, W.Bode, R.Huber, B.F.Le Bonniec, S.R.Stone, C.T.Esmon, M.T.Stubbs 2977 EMBO J The thrombin E192Q-BPTI complex reveals gross structural rearrangements: implications for the interaction with antithrombin and thrombomodulin. 16 1997
1C1U B.A.Katz, J.M.Clark, J.S.Finer-Moore, T.E.Jenkins, C.R.Johnson, M.J.Ross, C.Luong, W.R.Moore, R.M.Stroud 608 Nature Design of Potent Selective Zinc-Mediated Serine Protease Inhibitors 391 1998
1C1V B.A.Katz, J.M.Clark, J.S.Finer-Moore, T.E.Jenkins, C.R.Johnson, M.J.Ross, C.Luong, W.R.Moore, R.M.Stroud 608 Nature Design of Potent Selective Zinc-Mediated Serine Protease Inhibitors 391 1998
1C1W B.A.Katz, J.M.Clark, J.S.Finer-Moore, T.E.Jenkins, C.R.Johnson, M.J.Ross, C.Luong, W.R.Moore, R.M.Stroud 608 Nature Design of Potent Selective Zinc-Mediated Serine Protease Inhibitors 391 1998
1C4U R.Krishnan, I.Mochalkin, R.K.Arni, A.Tulinsky 294 Acta Crystallogr., Sect.D Structure of Thrombin Complexed with Selective Non-Electrophilic Inhibitors Having Cyclohexyl Moieties at P1 56 2000
1C4V R.Krishnan, I.Mochalkin, R.K.Arni, A.Tulinsky 294 Acta Crystallogr., Sect.D Structure of Thrombin Complexed with Selective Non-Electrophilic Inhibitors Having Cyclohexyl Moieties at P1 56 2000
1C4Y R.Krishnan, I.Mochalkin, R.K.Arni, A.Tulinsky 294 Acta Crystallogr., Sect.D Structure of Thrombin Complexed with Selective Non-Electrophilic Inhibitors Having Cyclohexyl Moieties at P1 56 2000
1C5L B.A.Katz, R.Mackman, C.Luong, K.Radika, A.Martelli, P.A.Sprengeler, J.Wang, H.Chan, L.Wong 299 Chem.Biol. Structural Basis for Selectivity of a Small Molecule, S1-Binding, Submicromolar Inhibitor of Urokinase-Type Plasminogen Activator 7 2000
1C5N B.A.Katz, R.Mackman, C.Luong, K.Radika, A.Martelli, P.A.Sprengeler, J.Wang, H.Chan, L.Wong 299 Chem.Biol. Structural Basis for Selectivity of a Small Molecule, S1-Binding, Submicromolar Inhibitor of Urokinase-Type Plasminogen Activator 7 2000
1C5O B.A.Katz, R.Mackman, C.Luong, K.Radika, A.Martelli, P.A.Sprengeler, J.Wang, H.Chan, L.Wong 299 Chem.Biol. Structural Basis for Selectivity of a Small Molecule, S1-Binding, Submicromolar Inhibitor of Urokinase-Type Plasminogen Activator 7 2000
1CA8 R.Krishnan, E.Zhang, K.Hakansson, R.K.Arni, A.Tulinsky, M.S.Lim-Wilby, O.E.Levy, J.E.Semple, T.K.Brunck 12094 Biochemistry Highly selective mechanism-based thrombin inhibitors: structures of thrombin and trypsin inhibited with rigid peptidyl aldehydes. 37 1998
1CXM S.M.T.Serrano, A.Wisner, C.Bon, R.C.Maroun n/a To be Published A Comparative Study of Two Thrombin-Like Serine Proteinases from Bothrops Jararaca'S Venom n/a 1999
1D3T N.Y.Chirgadze, D.J.Sall, S.L.Briggs, D.K.Clawson, M.Zhang, G.F.Smith, R.W.Schevitz 29 Protein Sci. The Crystal Structures of Human [Alpha]-Thrombin Complexed with Active Site-Directed Diamino Benzo[B]Thiophene Derivatives: A Binding Mode for a Structurally Novel Class of Inhibitors 9 2000
1D4P N.Y.Chirgadze, D.J.Sall, V.J.Klimkowski, D.K.Clawson, S.L.Briggs, R.Hermann, G.F.Smith, D.S.Gifford-Moore, J.P.Wery 1412 Protein Sci. The Crystal Structure of Human A-Thrombin Complexed with Ly178550, Non-Peptidyl, Active-Site Directed Inhibitor 6 1997
1D6W R.Krishnan, I.Mochalkin, R.Arni, A.Tulinsky 294 Acta Crystallogr., Sect.D Structure of Thrombin Complexed with Selective Non-Electrophilic Inhibitors Having Cyclohexyl Moieties at P1 56 2000
1D9I R.Krishnan, I.Mochalkin, R.Arni, A.Tulinsky 294 Acta Crystallogr., Sect.D Structure of Thrombin Complexed with Selective Non-Electophilic Inhibitors Having Cyclohexyl Moieties at P1 56 2000
1DE7 C.Sadasivan, V.C.Yee 36942 J.Biol.Chem. Interaction of the Factor Xiii Activation Peptide with Alpha-Thrombin. Crystal Structure of its Enzyme-Substrate Analog Complex 275 2000
1DIT R.Krishnan, A.Tulinsky, G.P.Vlasuk, D.Pearson, P.Vallar, P.Bergum, T.K.Brunck, W.C.Ripka 422 Protein Sci Synthesis, structure, and structure-activity relationships of divalent thrombin inhibitors containing an alpha-keto-amide transition-state mimetic. 5 1996
1DM4 R.Krishnan, E.J.Sadler, A.Tulinsky 406 Acta Crystallogr., Sect.D Structure of Ser195Ala Mutant of Human-Thrombin Complexed with Fibrinopeptide A(7-16): Evidence for Residual Catalytic Activity 56 2000
1DOJ R.Recacha, M.J.Costanzo, B.E.Maryanoff, M.Carson, L.Delucas, D.Chattopadhyay 1395 Acta Crystallogr., Sect.D Structure of Human-Thrombin Complexed with Rwj-51438 at 1.7 A: Unusual Perturbation of the 60A-60I Insertion Loop 56 2000
1DWB D.W.Banner, P.Hadvary 20085 J Biol Chem Crystallographic analysis at 3.0-A resolution of the binding to human thrombin of four active site-directed inhibitors. 266 1991
1DWC D.W.Banner, P.Hadvary 20085 J Biol Chem Crystallographic analysis at 3.0-A resolution of the binding to human thrombin of four active site-directed inhibitors. 266 1991
1DWD D.W.Banner, P.Hadvary 20085 J Biol Chem Crystallographic analysis at 3.0-A resolution of the binding to human thrombin of four active site-directed inhibitors. 266 1991
1DWE D.W.Banner, P.Hadvary 20085 J Biol Chem Crystallographic analysis at 3.0-A resolution of the binding to human thrombin of four active site-directed inhibitors. 266 1991
1DX5 P.Fuentes-Prior, Y.Iwanaga, R.Huber, R.Pagila, G.Rumennik, M.Seto, J.Morser, D.R.Light, W.Bode 518 Nature Structural Basis for the Anticoagulant Activity of the Thrombin-Thrombomodulin Complex 404 2000
1DZG J.A.Huntington, A.J.Mccoy, K.J.Belzar, X.Y.Pei, P.G.W.Gettins, R.W.Carrell 15377 J.Biol.Chem. The Conformational Activation of Antithrombin-A 2.85 Angstrom Structure of a Fluorescein Derivative Reveals an Electrostatic Link between the Hinge Region and Heparin Binding Regions 275 2000
1DZH J.A.Huntington, A.J.Mccoy, K.J.Belzar, X.Y.Pei, P.G.W.Gettins, R.W.Carrell 15377 J.Biol.Chem. The Conformational Activation of Antithrombin-A 2.85 Angstrom Structure of a Fluorescein Derivative Reveals an Electrostatic Link between the Hinge Region and Heparin Binding Regions 275 2000
1E03 L.Jin, J.-P.Abrahams, R.Skinner, M.Petitou, R.N.Pike, R.W.Carrell 601 Proc.Nat.Acad.Sci.USA The Anticoagulant Activation of Antithrombin by Heparin 266 1997
1E04 R.Skinner, J.-P.Abrahams, J.C.Whisstock, A.M.Lesk, R.W.Carrell, M.Wardell 601 J.Mol.Biol. The 2.6A Structure of Antithrombin Indicates a Conformational Change at the Heparin Binding Site 266 1997
1E05 R.Skinner, J.-P.Abrahams, J.C.Whisstock, A.M.Lesk, R.W.Carrell, M.Wardell 601 J.Mol.Biol. The 2.6A Structure of Antithrombin Indicates a Conformational Change at the Heparin Binding Site 266 1997
1E0F J.L.Richardson, B.Kroeger, W.Hoeffken, J.E.Sadler, P.Pereira, R.Huber, W.Bode, P.Fuentes-Prior 5650 Embo J. Crystal Structure of the Human Alpha-Thrombin-Haemadin Complex: An Exosite II-Binding Inhibitor 19 2000
1EOJ J.J.Slon-Usakiewicz, J.Sivaraman, Y.Li, M.Cygler, Y.Konishi 2384 Biochemistry Design of P1' and P3' Residues of Trivalent Thrombin Inhibitors and Their Crystal Structures 39 2000
1EOL J.J.Slon-Usakiewicz, J.Sivaraman, Y.Li, M.Cygler, Y.Konishi 2384 Biochemistry Design of P1' and P3' Residues of Trivalent Thrombin Inhibitors and Their Crystal Structures 39 2000
1ETR H.Brandstetter, D.Turk, H.W.Hoeffken, D.Grosse, J.Sturzebecher, P.D.Martin, B.F.Edwards, W.Bode 1085 J Mol Biol Refined 2.3 A X-ray crystal structure of bovine thrombin complexes formed with the benzamidine and arginine-based thrombin inhibitors NAPAP, 4-TAPAP and MQPA. A starting point for improving antithrombotics. 226 1992
1ETS H.Brandstetter, D.Turk, H.W.Hoeffken, D.Grosse, J.Sturzebecher, P.D.Martin, B.F.Edwards, W.Bode 1085 J Mol Biol Refined 2.3 A X-ray crystal structure of bovine thrombin complexes formed with the benzamidine and arginine-based thrombin inhibitors NAPAP, 4-TAPAP and MQPA. A starting point for improving antithrombotics. 226 1992
1ETT H.Brandstetter, D.Turk, H.W.Hoeffken, D.Grosse, J.Sturzebecher, P.D.Martin, B.F.Edwards, W.Bode 1085 J Mol Biol Refined 2.3 A X-ray crystal structure of bovine thrombin complexes formed with the benzamidine and arginine-based thrombin inhibitors NAPAP, 4-TAPAP and MQPA. A starting point for improving antithrombotics. 226 1992
1FPC I.I.Mathews, A.Tulinsky 550 Acta Crystallogr D Biol Crystallogr ACTIVE-SITE MIMETIC INHIBITION OF THROMBIN. 51 1995
1FPH M.T.Stubbs, H.Oschkinat, I.Mayr, R.Huber, H.Angliker, S.R.Stone, W.Bode 187 Eur J Biochem The interaction of thrombin with fibrinogen. A structural basis for its specificity. 206 1992
1G30 H.Nar, M.Bauer, A.Schmid, J.Stassen, W.Wienen, H.W.Priepke, I.K.Kauffmann, U.J.Ries, N.H.Hauel 29 Structure Structural Basis for Inhibition Promiscuity of Dual Specific Thrombin and Factor Xa Blood Coagulation Inhibitors 9 2001
1G32 H.Nar, M.Bauer, A.Schmid, J.Stassen, W.Wienen, H.W.Priepke, I.K.Kauffmann, U.J.Ries, N.H.Hauel 29 Structure Structural Basis for Inhibition Promiscuity of Dual Specific Thrombin and Factor Xa Blood Coagulation Inhibitors 9 2001
1G37 B.Bachand, M.Tarazi, Y.St-Denis, J.J.Edmunds, P.D.Winocour, L.Leblond, M.A.Siddiqui 287 Bioorg.Med.Chem.Lett. Potent and Selective Bicyclic Lactam Inhibitors of Thrombin. Part 4: Transition State Inhibitors 11 2001
1H8D E.Skordalakes, G.G.Dodson, D.S.Green, C.A.Goodwin, M.F.Scully, H.R.Hudson, V.V.Kakkar, J.J.Deadman 549 J.Mol.Biol. Inhibition of Human Alpha-Thrombin by a Phosphonate Tripeptide Proceeds Via a Metastable Pentacoordinated Phosphorus Intermediate 311 2001
1H8I E.Skordalakes, G.G.Dodson, D.S.Green, C.A.Goodwin, M.F.Scully, H.R.Hudson, V.V.Kakkar, J.J.Deadman 549 J.Mol.Biol. Inhibition of Human Alpha-Thrombin by a Phosphonate Tripeptide Proceeds Via a Metastable Pentacoordinated Phosphorus Intermediate 311 2001
1HAG J.Vijayalakshmi, K.P.Padmanabhan, K.G.Mann, A.Tulinsky 2254 Protein Sci The isomorphous structures of prethrombin2, hirugen-, and PPACK-thrombin: changes accompanying activation and exosite binding to thrombin. 3 1994
1HAH J.Vijayalakshmi, K.P.Padmanabhan, K.G.Mann, A.Tulinsky 2254 Protein Sci The isomorphous structures of prethrombin2, hirugen-, and PPACK-thrombin: changes accompanying activation and exosite binding to thrombin. 3 1994
1HAI J.Vijayalakshmi, K.P.Padmanabhan, K.G.Mann, A.Tulinsky 2254 Protein Sci The isomorphous structures of prethrombin2, hirugen-, and PPACK-thrombin: changes accompanying activation and exosite binding to thrombin. 3 1994
1HAO K.Padmanabhan, A.Tulinsky 272 Acta Crystallogr D Biol Crystallogr An ambiguous structure of a DNA 15-mer thrombin complex. 52 1996
1HAP K.Padmanabhan, A.Tulinsky 272 Acta Crystallogr D Biol Crystallogr An ambiguous structure of a DNA 15-mer thrombin complex. 52 1996
1HBT P.H.Rehse, T.Steinmetzer, Y.Li, Y.Konishi, M.Cygler 11537 Biochemistry Crystal structure of a peptidyl pyridinium methyl ketone inhibitor with thrombin. 34 1995
1HDT L.Tabernero, C.Y.Chang, S.L.Ohringer, W.F.Lau, E.J.Iwanowicz, W.C.Han, T.C.Wang, S.M.Seiler, D.G.Roberts, J.S.Sack 14 J Mol Biol Structure of a retro-binding peptide inhibitor complexed with human alpha-thrombin. 246 1995
1HGT E.Skrzypczak-Jankun, V.E.Carperos, K.G.Ravichandran, A.Tulinsky, M.Westbrook, J.M.Maraganore 1379 J Mol Biol Structure of the hirugen and hirulog 1 complexes of alpha-thrombin. 221 1991
1HLT I.I.Mathews, K.P.Padmanabhan, A.Tulinksy, J.E.Sadler 13547 Biochemistry Structure of a nonadecapeptide of the fifth EGF domain of thrombomodulin complexed with thrombin. 33 1994
1HRT J.Vitali, P.D.Martin, M.G.Malkowski, W.D.Robertson, J.B.Lazar, R.C.Winant, P.H.Johnson, B.F.Edwards 17670 J Biol Chem The structure of a complex of bovine alpha-thrombin and recombinant hirudin at 2.8-A resolution. 267 1992
1HUT K.Padmanabhan, K.P.Padmanabhan, J.D.Ferrara, J.E.Sadler, A.Tulinsky 17651 J Biol Chem The structure of alpha-thrombin inhibited by a 15-mer single-stranded DNA aptamer. 268 1993
1HXE E.Zhang, A.Tulinsky 185 Biophys Chem The molecular environment of the Na+ binding site of thrombin. 63 1997
1HXF E.Zhang, A.Tulinsky 185 Biophys Chem The molecular environment of the Na+ binding site of thrombin. 63 1997
1ID5 S.X.Wang, C.T.Esmon, R.J.Fletterick 10038 Biochemistry Crystal Structure of Thrombin-Ecotin Reveals Conformational Changes and Extended Interactions 40 2001
1IHS A.Zdanov, S.Wu, J.DiMaio, Y.Konishi, Y.Li, X.Wu, B.F.Edwards, P.D.Martin, M.Cygler 252 Proteins Crystal structure of the complex of human alpha-thrombin and nonhydrolyzable bifunctional inhibitors, hirutonin-2 and hirutonin-6. 17 1993
1IHT A.Zdanov, S.Wu, J.DiMaio, Y.Konishi, Y.Li, X.Wu, B.F.Edwards, P.D.Martin, M.Cygler 252 Proteins Crystal structure of the complex of human alpha-thrombin and nonhydrolyzable bifunctional inhibitors, hirutonin-2 and hirutonin-6. 17 1993
1JOU J.A.Huntington, C.T.Esmon n/a To be Published 1.8A Structure of Native S195A Thrombin with an Unoccupied Active Site-Implications for Substrate Recognition n/a n/a
1LHC P.C.Weber, S.L.Lee, F.A.Lewandowski, M.C.Schadt, C.W.Chang, C.A.Kettner 3750 Biochemistry Kinetic and crystallographic studies of thrombin with Ac-(D)Phe-Pro-boroArg-OH and its lysine, amidine, homolysine, and ornithine analogs. 34 1995
1LHD P.C.Weber, S.L.Lee, F.A.Lewandowski, M.C.Schadt, C.W.Chang, C.A.Kettner 3750 Biochemistry Kinetic and crystallographic studies of thrombin with Ac-(D)Phe-Pro-boroArg-OH and its lysine, amidine, homolysine, and ornithine analogs. 34 1995
1LHE P.C.Weber, S.L.Lee, F.A.Lewandowski, M.C.Schadt, C.W.Chang, C.A.Kettner 3750 Biochemistry Kinetic and crystallographic studies of thrombin with Ac-(D)Phe-Pro-boroArg-OH and its lysine, amidine, homolysine, and ornithine analogs. 34 1995
1LHF P.C.Weber, S.L.Lee, F.A.Lewandowski, M.C.Schadt, C.W.Chang, C.A.Kettner 3750 Biochemistry Kinetic and crystallographic studies of thrombin with Ac-(D)Phe-Pro-boroArg-OH and its lysine, amidine, homolysine, and ornithine analogs. 34 1995
1LHG P.C.Weber, S.L.Lee, F.A.Lewandowski, M.C.Schadt, C.W.Chang, C.A.Kettner 3750 Biochemistry Kinetic and crystallographic studies of thrombin with Ac-(D)Phe-Pro-boroArg-OH and its lysine, amidine, homolysine, and ornithine analogs. 34 1995
1MKW M.G.Malkowski, P.D.Martin, J.C.Guzik, B.F.Edwards 1438 Protein Sci The co-crystal structure of unliganded bovine alpha-thrombin and prethrombin-2: movement of the Tyr-Pro-Pro-Trp segment and active site residues upon ligand binding. 6 1997
1MKX M.G.Malkowski, P.D.Martin, J.C.Guzik, B.F.Edwards 1438 Protein Sci The co-crystal structure of unliganded bovine alpha-thrombin and prethrombin-2: movement of the Tyr-Pro-Pro-Trp segment and active site residues upon ligand binding. 6 1997
1NRN I.I.Mathews, K.P.Padmanabhan, V.Ganesh, A.Tulinsky, M.Ishii, J.Chen, C.W.Turck, S.R.Coughlin, .2.Fenton 2nd 3266 Biochemistry Crystallographic structures of thrombin complexed with thrombin receptor peptides: existence of expected and novel binding modes. 33 1994
1NRO I.I.Mathews, K.P.Padmanabhan, V.Ganesh, A.Tulinsky, M.Ishii, J.Chen, C.W.Turck, S.R.Coughlin, .2.Fenton 2nd 3266 Biochemistry Crystallographic structures of thrombin complexed with thrombin receptor peptides: existence of expected and novel binding modes. 33 1994
1NRP I.I.Mathews, K.P.Padmanabhan, V.Ganesh, A.Tulinsky, M.Ishii, J.Chen, C.W.Turck, S.R.Coughlin, .2.Fenton 2nd 3266 Biochemistry Crystallographic structures of thrombin complexed with thrombin receptor peptides: existence of expected and novel binding modes. 33 1994
1NRQ I.I.Mathews, K.P.Padmanabhan, V.Ganesh, A.Tulinsky, M.Ishii, J.Chen, C.W.Turck, S.R.Coughlin, .2.Fenton 2nd 3266 Biochemistry Crystallographic structures of thrombin complexed with thrombin receptor peptides: existence of expected and novel binding modes. 33 1994
1NRR I.I.Mathews, K.P.Padmanabhan, V.Ganesh, A.Tulinsky, M.Ishii, J.Chen, C.W.Turck, S.R.Coughlin, .2.Fenton 2nd 3266 Biochemistry Crystallographic structures of thrombin complexed with thrombin receptor peptides: existence of expected and novel binding modes. 33 1994
1NRS I.I.Mathews, K.P.Padmanabhan, V.Ganesh, A.Tulinsky, M.Ishii, J.Chen, C.W.Turck, S.R.Coughlin, .2.Fenton 2nd 3266 Biochemistry Crystallographic structures of thrombin complexed with thrombin receptor peptides: existence of expected and novel binding modes. 33 1994
1PPB W.Bode, I.Mayr, U.Baumann, R.Huber, S.R.Stone, J.Hofsteenge 3467 EMBO J The refined 1.9 A crystal structure of human alpha-thrombin: interaction with D-Phe-Pro-Arg chloromethylketone and significance of the Tyr-Pro-Pro-Trp insertion segment. 8 1989
1QBV R.Bone, T.Lu, C.R.Illig, R.M.Soll, J.C.Spurlino 2068 J.Med.Chem. Structural Analysis of Thrombin Complexed with Potent Inhibitors Incorporating a Phenyl Group as a Peptide Mimetic and Aminopyridines as Guanidine Substitutes. 41 1998
1QHR H.Jhoti, A.Cleasby, S.Reid, P.Thomas, M.Weir, A.Wonacott 7969 Biochemistry Crystal Structures of Thrombin Complexed to a Novel Series of Synthetic Inhibitors Containing a 5,5-Trans-Lactone Template 38 1999
1QJ1 H.Jhoti, A.Cleasby, S.Reid, P.Thomas, M.Weir, A.Wonacott 7969 Biochemistry Crystal Structures of Thrombin Complexed to a Novel Series of Synthetic Inhibitors Containing a 5,5-Trans-Lactone Template 38 1999
1QJ6 H.Jhoti, A.Cleasby, S.Reid, P.Thomas, M.Weir, A.Wonacott 7969 Biochemistry Crystal Structures of Thrombin Complexed to a Novel Series of Synthetic Inhibitors Containing a 5,5-Trans-Lactone Template 38 1999
1QJ7 H.Jhoti, A.Cleasby, S.Reid, P.Thomas, M.Weir, A.Wonacott 7969 Biochemistry Crystal Structures of Thrombin Complexed to a Novel Series of Synthetic Inhibitors Containing a 5,5-Trans-Lactone Template 38 1999
1QUR T.Steinmetzer, M.Renatus, S.Kuenzel, A.Eichinger, W.Bode, P.Wikstroem, J.Hauptmann, J.Stuerzebecher 598 Eur.J.Biochem. Design and Evaluation of Novel Bivalent Thrombin Inhibitors Based on Amidinophenylalanines 265 1999
1TBQ A.van de Locht, D.Lamba, M.Bauer, R.Huber, T.Friedrich, B.Kroger, W.Hoffken, W.Bode 5149 EMBO J Two heads are better than one: crystal structure of the insect derived double domain Kazal inhibitor rhodniin in complex with thrombin. 14 1995
1TBR A.van de Locht, D.Lamba, M.Bauer, R.Huber, T.Friedrich, B.Kroger, W.Hoffken, W.Bode 5149 EMBO J Two heads are better than one: crystal structure of the insect derived double domain Kazal inhibitor rhodniin in complex with thrombin. 14 1995
1THP E.R.Guinto, S.Caccia, T.Rose, K.Futterer, G.Waksman, E.Di Cera 1852 Proc Natl Acad Sci U S A Unexpected crucial role of residue 225 in serine proteases. 96 1999
1THR X.Qiu, M.Yin, K.P.Padmanabhan, J.L.Krstenansky, A.Tulinsky 20318 J Biol Chem Structures of thrombin complexes with a designed and a natural exosite peptide inhibitor. 268 1993
1THS X.Qiu, M.Yin, K.P.Padmanabhan, J.L.Krstenansky, A.Tulinsky 20318 J Biol Chem Structures of thrombin complexes with a designed and a natural exosite peptide inhibitor. 268 1993
1TMB B.E.Maryanoff, X.Qiu, K.P.Padmanabhan, A.Tulinsky, H.R.Almond Jr., P.Andrade-Gordon, M.N.Greco, J.A.Kauffman, K.C.Nicolaou, A.Liu, et al. 8048 Proc Natl Acad Sci U S A Molecular basis for the inhibition of human alpha-thrombin by the macrocyclic peptide cyclotheonamide A. 90 1993
1TMT J.P.Priestle, J.Rahuel, H.Rink, M.Tones, M.G.Grutter 1630 Protein Sci Changes in interactions in complexes of hirudin derivatives and human alpha-thrombin due to different crystal forms. 2 1993
1TMU J.P.Priestle, J.Rahuel, H.Rink, M.Tones, M.G.Grutter 1630 Protein Sci Changes in interactions in complexes of hirudin derivatives and human alpha-thrombin due to different crystal forms. 2 1993
1TOC A.van de Locht, M.T.Stubbs, W.Bode, T.Friedrich, C.Bollschweiler, W.Hoffken, R.Huber 6011 EMBO J The ornithodorin-thrombin crystal structure, a key to the TAP enigma? 15 1996
1UCY P.D.Martin, M.G.Malkowski, J.DiMaio, Y.Konishi, F.Ni, B.F.Edwards 13030 Biochemistry Bovine thrombin complexed with an uncleavable analog of residues 7-19 of fibrinogen A alpha: geometry of the catalytic triad and interactions of the P1', P2', and P3' substrate residues. 35 1996
1UMA M.Nardini, A.Pesce, M.Rizzi, E.Casale, R.Ferraccioli, G.Balliano, P.Milla, P.Ascenzi, M.Bolognesi 851 J Mol Biol Human alpha-thrombin inhibition by the active site titrant N alpha-(N,N-dimethylcarbamoyl)-alpha-azalysine p-nitrophenyl ester: a comparative kinetic and X-ray crystallographic study. 258 1996
1UVS R.A.Engh, H.Brandstetter, G.Sucher, A.Eichinger, U.Baumann, W.Bode, R.Huber, T.Poll, R.Rudolph, W.von der Saal 1353 Structure Enzyme flexibility, solvent and 'weak' interactions characterize thrombin-ligand interactions: implications for drug design. 4 1996
1UVT R.A.Engh, H.Brandstetter, G.Sucher, A.Eichinger, U.Baumann, W.Bode, R.Huber, T.Poll, R.Rudolph, W.von der Saal 1353 Structure Enzyme flexibility, solvent and 'weak' interactions characterize thrombin-ligand interactions: implications for drug design. 4 1996
1UVU R.A.Engh, H.Brandstetter, G.Sucher, A.Eichinger, U.Baumann, W.Bode, R.Huber, T.Poll, R.Rudolph, W.von der Saal 1353 Structure Enzyme flexibility, solvent and 'weak' interactions characterize thrombin-ligand interactions: implications for drug design. 4 1996
1VIT J.Vitali, P.D.Martin, M.G.Malkowski, C.M.Olsen, P.H.Johnson, B.F.P.Edwards 453 Acta Crystallogr D Biol Crystallogr Structure of a bovine thrombin-hirudin(51-65) complex determined by a combination of molecular replacement and graphics. Incorporation of known structural information in molecular replacement. 52 1996
1VR1 R.J.Dekker, A.Eichinger, A.A.Stoop, W.Bode, H.Pannekoek, A.J.G.Horrevoets 613 J.Mol.Biol. The Variable Region-1 from Tissue-Type Plasminogen Activator Confers Specificity for Plasminogen Activator Inhibitor-1 to Thrombin by Facilitating Catalysis: Release of a Kinetic Block by a Heterologous Protein Surface Loop 293 1999
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2ANT R.Skinner, J.P.Abrahams, J.C.Whisstock, A.M.Lesk, R.W.Carrell, M.R.Wardell 601 J.Mol.Biol. The 2.6 A Structure of Antithrombin Indicates a Conformational Change at the Heparin Binding Site 266 1997
2HGT E.Skrzypczak-Jankun, V.E.Carperos, K.G.Ravichandran, A.Tulinsky, M.Westbrook, J.M.Maraganore 1379 J Mol Biol Structure of the hirugen and hirulog 1 complexes of alpha-thrombin. 221 1991
2HNT T.J.Rydel, M.Yin, K.P.Padmanabhan, D.T.Blankenship, A.D.Cardin, P.E.Correa, .2.Fenton 2nd, A.Tulinsky 22000 J Biol Chem Crystallographic structure of human gamma-thrombin. 269 1994
2HPP R.K.Arni, K.Padmanabhan, K.P.Padmanabhan, T.P.Wu, A.Tulinsky 4727 Biochemistry Structures of the noncovalent complexes of human and bovine prothrombin fragment 2 with human PPACK-thrombin. 32 1993
2HPQ R.K.Arni, K.Padmanabhan, K.P.Padmanabhan, T.P.Wu, A.Tulinsky 4727 Biochemistry Structures of the noncovalent complexes of human and bovine prothrombin fragment 2 with human PPACK-thrombin. 32 1993
2PF1 T.P.Seshadri, A.Tulinsky, E.Skrzypczak-Jankun, C.H.Park 481 J Mol Biol Structure of bovine prothrombin fragment 1 refined at 2.25 A resolution. 220 1991
2PF2 M.Soriano-Garcia, K.Padmanabhan, A.M.de Vos, A.Tulinsky 2554 Biochemistry The Ca2+ ion and membrane binding structure of the Gla domain of Ca-prothrombin fragment 1. 31 1992
2SPT T.P.Seshadri, E.Skrzypczak-Jankun, M.Yin, A.Tulinsky 1087 Biochemistry Differences in the metal ion structure between Sr- and Ca-prothrombin fragment 1. 33 1994
2THF E.R.Guinto, S.Caccia, T.Rose, K.Futterer, G.Waksman, E.Di Cera 1852 Proc Natl Acad Sci U S A Unexpected crucial role of residue 225 in serine proteases. 96 1999
3HAT I.I.Mathews, A.Tulinsky n/a To be Published Active Site Mimetic Inhibition of Thrombin n/a n/a
3HTC T.Rydel, K.G.Ravichandran, A.Tulinsky, W.Bode, R.Huber, C.Roitsch, J.W.Fenton /II 277 Science The Structure of a Complex of Recombinant Hirudin and Human Alpha-Thrombin 249 1990
4HTC T.J.Rydel, A.Tulinsky, W.Bode, R.Huber 583 J.Mol.Biol. The Refined Structure of the Hirudin-Thrombin Complex 221 1991
4THN A.Lombardi, G.De Simone, F.Nastri, S.Galdiero, R.Della Morte, N.Staiano, C.Pedone, M.Bolognesi, V.Pavone 91 Protein Sci. The Crystal Structure of Alpha-Thrombin-Hirunorm Iv Complex Reveals a Novel Specificity Site Recognition Mode 8 1999
5GDS G.De Simone, A.Lombardi, S.Galdiero, F.Nastri, R.Della Morte, N.Staiano, C.Pedone, M.Bolognesi, V.Pavone 243 Protein Sci Hirunorms are true hirudin mimetics. The crystal structure of human alpha-thrombin-hirunorm V complex. 7 1998
7KME I.Mochalkin, A.Tulinsky 785 Acta Crystallogr D Biol Crystallogr Structures of thrombin retro-inhibited with SEL2711 and SEL2770 as they relate to factor Xa binding. 55 1999
8KME I.Mochalkin, A.Tulinsky n/a To be Published Crystal Structures of Thrombin Retror-Inhibited with Sel2711 and Sel2770 as They Relate to Factor Xa Binding n/a n/a

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PDB Molecule of the Month January 2002, by David S. Goodsell

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