1T4U
 
 | | Crystal Structure Analysis of a novel Oxyguanidine bound to Thrombin | | Descriptor: | 2-METHANESULFONYL-BENZENESULFONIC ACID 3-METHYL-5-((1-AMIDINOAMINOOXYMETHYL-CYCLOPROPYL)METHYLOXY)-PHENYLESTER, Hirudin IIIA, Prothrombin | | Authors: | Spurlino, J. | | Deposit date: | 2004-04-30 | | Release date: | 2005-03-22 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Oxyguanidines. Part 2: Discovery of a novel orally active thrombin inhibitor through structure-based drug design and parallel synthesis
BIOORG.MED.CHEM.LETT., 14, 2004
|
|
1OOK
 | | Crystal Structure of the Complex of Platelet Receptor GPIb-alpha and Human alpha-Thrombin | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Human Alpha Thrombin, ... | | Authors: | Varughese, K.I, Celikel, R, Ruggeri, Z.M. | | Deposit date: | 2003-03-03 | | Release date: | 2003-07-22 | | Last modified: | 2021-10-27 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Modulation of alpha-thrombin function by distinct interactions with platelet
glycoprotein Ibalpha
Science, 301, 2003
|
|
1P0S
 | | Crystal Structure of Blood Coagulation Factor Xa in Complex with Ecotin M84R | | Descriptor: | Coagulation factor X precursor, Ecotin precursor, MAGNESIUM ION, ... | | Authors: | Wang, S.X, Hur, E, Sousa, C.A, Brinen, L, Slivka, E.J, Fletterick, R.J. | | Deposit date: | 2003-04-10 | | Release date: | 2003-08-26 | | Last modified: | 2021-10-27 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | The Extended Interactions and Gla Domain of Blood Coagulation Factor Xa
Biochemistry, 42, 2003
|
|
1RIW
 | | Thrombin in complex with natural product inhibitor Oscillarin | | Descriptor: | (2R,3AS,6R,7AS)-N-(2-{1-[AMINO(IMINO)METHYL]-2,5-DIHYDRO-1H-PYRROL-3-YL}ETHYL)-6-HYDROXY-1-{N-[(2S)-2-HYDROXY-3-PHENYLPROPANOYL]PHENYLALANYL}OCTAHYDRO-1H-INDOLE-2-CARBOXAMIDE, 2-acetamido-2-deoxy-beta-D-glucopyranose, Hirudin IIB, ... | | Authors: | Hanessian, S, Tremblay, M, Petersen, J.F.W. | | Deposit date: | 2003-11-18 | | Release date: | 2004-11-09 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | The N-acyloxyiminium ion aza-Prins route to octahydroindoles: total synthesis and structural confirmation of the antithrombotic marine natural product oscillarin
J.Am.Chem.Soc., 126, 2004
|
|
1TBZ
 | | HUMAN THROMBIN WITH ACTIVE SITE N-METHYL-D PHENYLALANYL-N-[5-(AMINOIMINOMETHYL)AMINO]-1-{{BENZOTHIAZOLYL)CARBONYL] BUTYL]-L-PROLINAMIDE TRIFLUROACETATE AND EXOSITE-HIRUGEN | | Descriptor: | ALPHA-THROMBIN, D-phenylalanyl-N-{(1S)-1-[(S)-1,3-benzothiazol-2-yl(hydroxy)methyl]-4-carbamimidamidobutyl}-L-prolinamide, HIRUGEN, ... | | Authors: | Matthews, J.H, Krishnan, R, Costanzo, M.J, Maryanoff, B.E, Tulinsky, A. | | Deposit date: | 1998-02-05 | | Release date: | 1998-05-27 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structures of thrombin with thiazole-containing inhibitors: probes of the S1' binding site.
Biophys.J., 71, 1996
|
|
1TA6
 | | Crystal structure of thrombin in complex with compound 14b | | Descriptor: | 1-[2-AMINO-2-CYCLOHEXYL-ACETYL]-PYRROLIDINE-3-CARBOXYLIC ACID 5-CHLORO-2-(2-ETHYLCARBAMOYL-ETHOXY)-BENZYLAMIDE, Hirudin, thrombin | | Authors: | Tucker, T.J, Brady, S.F, Lumma, W.C, Lewis, S.D, Gardel, S.J, Naylor-Olsen, A.M, Yan, Y, Sisko, J.T, Stauffer, K.J, Lucas, B.Y, Lynch, J.J, Cook, J.J, Stranieri, M.T, Holahan, M.A, Lyle, E.A, Baskin, E.P, Chen, I.-W, Dancheck, K.B, Krueger, J.A, Cooper, C.M, Vacca, J.P. | | Deposit date: | 2004-05-19 | | Release date: | 2004-06-08 | | Last modified: | 2017-10-11 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Design and synthesis of a series of potent and orally bioavailable
noncovalent thrombin inhibitors that utilize nonbasic groups in the P1 position
J.Med.Chem., 41, 1998
|
|
1TA2
 | | Crystal structure of thrombin in complex with compound 1 | | Descriptor: | 1-(2-AMINO-3,3-DIPHENYL-PROPIONYL)-PYRROLIDINE-3-CARBOXYLIC ACID 2,5-DICHLORO-BENZYLAMIDE, Hirudin, thrombin | | Authors: | Tucker, T.J, Brady, S.F, Lumma, W.C, Lewis, S.D, Gardel, S.J, Naylor-Olsen, A.M, Yan, Y, Sisko, J.T, Stauffer, K.J, Lucas, B.Y, Lynch, J.J, Cook, J.J, Stranieri, M.T, Holahan, M.A, Lyle, E.A, Baskin, E.P, Chen, I.-W, Dancheck, K.B, Krueger, J.A, Cooper, C.M, Vacca, J.P. | | Deposit date: | 2004-05-19 | | Release date: | 2004-06-08 | | Last modified: | 2017-10-11 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Design and synthesis of a series of potent and orally bioavailable
noncovalent thrombin inhibitors that utilize nonbasic groups in the P1 position
J.Med.Chem., 41, 1998
|
|
1THS
 | | STRUCTURES OF THROMBIN COMPLEXES WITH A DESIGNED AND A NATURAL EXOSITE INHIBITOR | | Descriptor: | ALPHA-THROMBIN (LARGE SUBUNIT), ALPHA-THROMBIN (SMALL SUBUNIT), SYNTHETIC INHIBITOR | | Authors: | Qiu, X, Yin, M, Padmanabhan, K.P, Krstenansky, J.L, Tulinsky, A. | | Deposit date: | 1993-06-16 | | Release date: | 1994-01-31 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structures of thrombin complexes with a designed and a natural exosite peptide inhibitor.
J.Biol.Chem., 268, 1993
|
|
1THR
 | | STRUCTURES OF THROMBIN COMPLEXES WITH A DESIGNED AND A NATURAL EXOSITE INHIBITOR | | Descriptor: | ALPHA-THROMBIN (LARGE SUBUNIT), ALPHA-THROMBIN (SMALL SUBUNIT), HIRULLIN | | Authors: | Qiu, X, Yin, M, Padmanabhan, K.P, Krstenansky, J.L, Tulinsky, A. | | Deposit date: | 1993-06-16 | | Release date: | 1994-01-31 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structures of thrombin complexes with a designed and a natural exosite peptide inhibitor.
J.Biol.Chem., 268, 1993
|
|
1TQ0
 | | Crystal structure of the potent anticoagulant thrombin mutant W215A/E217A in free form | | Descriptor: | Prothrombin | | Authors: | Pineda, A.O, Chen, Z.-W, Caccia, S, Savvides, S.N, Waksman, G, Mathews, F.S, Di Cera, E. | | Deposit date: | 2004-06-16 | | Release date: | 2004-08-03 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | The anticoagulant thrombin mutant W215A/E217A has a collapsed primary specificity pocket
J.Biol.Chem., 279, 2004
|
|
1TMU
 | |
1SR5
 | | ANTITHROMBIN-ANHYDROTHROMBIN-HEPARIN TERNARY COMPLEX STRUCTURE | | Descriptor: | 2,3,4,6-tetra-O-sulfonato-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-deoxy-2,3,6-tri-O-methyl-alpha-D-xylo-hexopyranose-(1-4)-2,3,6-tri-O-methyl-beta-D-glucopyranose-(1-4)-2,3-di-O-methyl-6-O-sulfo-alpha-D-glucopyranose-(1-4)-(2R,3R,4S,5S,6S)-6-(dihydroxymethyl)-3,4-dimethoxytetrahydro-2H-pyran-2,5-diol-(1-4)-2,3,6-tri-O-sulfo-alpha-D-glucopyranose-(1-4)-(2R,3R,4S,5S,6R)-6-(dihydroxymethyl)-3,4-dimethoxytetrahydro-2H-pyran-2,5-diol-(1-4)-1,5-anhydro-3-O-methyl-2,6-di-O-sulfo-D-glucitol, ... | | Authors: | Dementiev, A, Petitou, M, Gettins, P.G. | | Deposit date: | 2004-03-22 | | Release date: | 2004-08-17 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | The ternary complex of antithrombin-anhydrothrombin-heparin reveals the basis of inhibitor specificity.
Nat.Struct.Mol.Biol., 11, 2004
|
|
1SQO
 | | Substituted 2-Naphthamidine Inhibitors of Urokinase | | Descriptor: | 8-(PYRIMIDIN-2-YLAMINO)NAPHTHALENE-2-CARBOXIMIDAMIDE, SULFATE ION, Urokinase-type plasminogen activator | | Authors: | Wendt, M.D, Geyer, A, McClellan, W.J, Rockway, T.W, Weitzberg, M, Zhao, X, Mantei, R, Stewart, K, Nienaber, V, Klinghofer, V, Giranda, V.L. | | Deposit date: | 2004-03-19 | | Release date: | 2004-04-27 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Interaction with the S1beta-pocket of urokinase: 8-heterocycle substituted and 6,8-disubstituted 2-naphthamidine urokinase inhibitors.
Bioorg.Med.Chem.Lett., 14, 2004
|
|
1SGI
 | | Crystal structure of the anticoagulant slow form of thrombin | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, thrombin | | Authors: | Pineda, A.O, Carrell, C.J, Bush, L.A, Prasad, S, Caccia, S, Chen, Z.W, Mathews, F.S, Di Cera, E. | | Deposit date: | 2004-02-23 | | Release date: | 2004-06-08 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Molecular dissection of na+ binding to thrombin.
J.Biol.Chem., 279, 2004
|
|
1SL3
 | | crystal structue of Thrombin in complex with a potent P1 heterocycle-Aryl based inhibitor | | Descriptor: | (2-[6-CHLORO-3-{[2,2-DIFLUORO-2-(1-OXIDOPYRIDIN-2-YL)ETHYL]AMINO}-2-OXOPYRAZIN-1(2H)-YL]-N-[5-CHLORO-2-(1H-TETRAZOL-1-YL)BENZYL]ACETAMIDE, Hirudin, thrombin | | Authors: | Young, M.B, Barrow, J.C, Glass, K.L, Lundell, G.F, Newton, C.L, Pellicore, J.M, Rittle, K.E, Selnick, H.G, Stauffer, K.J, Vacca, J.P, Williams, P.D, Bohn, D, Clayton, F.C, Cook, J.J, Krueger, J.A, Kuo, L.C, Lewis, S.D, Lucas, B.J, McMasters, D.R, Miller-Stein, C, Pietrak, B.L. | | Deposit date: | 2004-03-05 | | Release date: | 2004-08-03 | | Last modified: | 2017-10-11 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Discovery and evaluation of potent P1 aryl heterocycle-based thrombin inhibitors
J.Med.Chem., 47, 2004
|
|
1TQ7
 | | Crystal structure of the anticoagulant thrombin mutant W215A/E217A bound to PPACK | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, Prothrombin, ... | | Authors: | Pineda, A.O, Chen, Z.-W, Caccia, S, Savvides, S.N, Waksman, G, Mathews, F.S, Di Cera, E. | | Deposit date: | 2004-06-16 | | Release date: | 2004-08-03 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | The anticoagulant thrombin mutant W215A/E217A has a collapsed primary specificity pocket
J.Biol.Chem., 279, 2004
|
|
1TWX
 | | Crystal structure of the thrombin mutant D221A/D222K | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Hirudin, Prothrombin | | Authors: | Pineda, A.O, Zhang, E, Guinto, E.R, Savvides, S.N, Tulinsky, A, Di Cera, E. | | Deposit date: | 2004-07-01 | | Release date: | 2005-04-19 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structure of the thrombin mutant D221A/D222K: the Asp222:Arg187 ion-pair stabilizes the fast form
Biophys.Chem., 112, 2004
|
|
8F5B
 | | Human ABCA4 structure in complex with AMP-PNP | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | | Authors: | Scortecci, J.F, Van Petegem, F, Molday, R.S. | | Deposit date: | 2022-11-13 | | Release date: | 2023-11-22 | | Last modified: | 2024-08-28 | | Method: | ELECTRON MICROSCOPY (3.95 Å) | | Cite: | Structural and Functional Characterization of the Nucleotide-binding Domains of ABCA4 and their Role in Stargardt Disease.
J.Biol.Chem., 2024
|
|
1G2M
 | | FACTOR XA INHIBITOR COMPLEX | | Descriptor: | 4-{[1-METHYL-5-(2-METHYL-BENZOIMIDAZOL-1-YLMETHYL)-1H-BENZOIMIDAZOL-2-YLMETHYL]-AMINO}-BENZAMIDINE, CALCIUM ION, COAGULATION FACTOR X | | Authors: | Nar, H. | | Deposit date: | 2000-10-20 | | Release date: | 2001-10-20 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (3.02 Å) | | Cite: | Structural basis for inhibition promiscuity of dual specific thrombin and factor Xa blood coagulation inhibitors.
Structure, 9, 2001
|
|
1HPG
 | |
1GWA
 | | Triiodide derivative of porcine pancreas elastase | | Descriptor: | CALCIUM ION, ELASTASE 1, IODIDE ION, ... | | Authors: | Evans, G, Bricogne, G. | | Deposit date: | 2002-03-13 | | Release date: | 2002-06-06 | | Last modified: | 2019-05-08 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Triiodide Derivatization and Combinatorial Counter-Ion Replacement: Two Methods for Enhancing Phasing Signal Using Laboratory Cu Kalpha X-Ray Equipment
Acta Crystallogr.,Sect.D, 58, 2002
|
|
1HBT
 | |
1H9L
 | | PORCINE PANCREATIC ELASTASE COMPLEXED WITH ACETYL-VAL-GLU-PRO-ILE-COOH | | Descriptor: | CALCIUM ION, ELASTASE, PEPTIDE INHIBITOR, ... | | Authors: | Wright, P.A, Wilmouth, R.C, Clifton, I.J, Schofield, C.J. | | Deposit date: | 2001-03-13 | | Release date: | 2001-11-27 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | Kinetic and Crystallographic Analysis of Complexes Formed between Elastase and Peptides from Beta-Casein
Eur.J.Biochem., 268, 2001
|
|
1HAG
 | | THE ISOMORPHOUS STRUCTURES OF PRETHROMBIN2, HIRUGEN-AND PPACK-THROMBIN: CHANGES ACCOMPANYING ACTIVATION AND EXOSITE BINDING TO THROMBIN | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, HIRUGEN, PRETHROMBIN 2 | | Authors: | Tulinsky, A, Vijayalakshmi, J. | | Deposit date: | 1994-06-27 | | Release date: | 1994-12-20 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The isomorphous structures of prethrombin2, hirugen-, and PPACK-thrombin: changes accompanying activation and exosite binding to thrombin.
Protein Sci., 3, 1994
|
|
1GVK
 | | Porcine pancreatic elastase acyl enzyme at 0.95 A resolution | | Descriptor: | CALCIUM ION, ELASTASE 1, PEPTIDE INHIBITOR, ... | | Authors: | Katona, G, Wilmouth, R.C, Wright, P.A, Berglund, G.I, Hajdu, J, Neutze, R, Schofield, C.J. | | Deposit date: | 2002-02-14 | | Release date: | 2002-07-19 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (0.94 Å) | | Cite: | X-Ray Structure of a Serine Protease Acyl-Enzyme Complex at 0.95-A Resolution.
J.Biol.Chem., 277, 2002
|
|
