1FLE
 
 | | CRYSTAL STRUCTURE OF ELAFIN COMPLEXED WITH PORCINE PANCREATIC ELASTASE | | Descriptor: | ELAFIN, ELASTASE | | Authors: | Tsunemi, M, Matsuura, Y, Sakakibara, S, Katsube, Y. | | Deposit date: | 1996-07-04 | | Release date: | 1997-01-11 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of an elastase-specific inhibitor elafin complexed with porcine pancreatic elastase determined at 1.9 A resolution.
Biochemistry, 35, 1996
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3MG7
 | | Structure of yeast 20S open-gate proteasome with Compound 8 | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-(benzyloxy)-N-[(1S,2R)-2-hydroxy-1-({(1S)-1-[(2-methylbenzyl)carbamoyl]-3-phenylpropyl}carbamoyl)propyl]benzamide, MAGNESIUM ION, ... | | Authors: | Sintchak, M.D. | | Deposit date: | 2010-04-05 | | Release date: | 2011-05-18 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.78 Å) | | Cite: | Characterization of a new series of non-covalent proteasome inhibitors with exquisite potency and selectivity for the 20S beta5-subunit.
Biochem.J., 430, 2010
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1IQF
 | | Human coagulation factor Xa in complex with M55165 | | Descriptor: | (2R)-4-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]-6-OXO-1-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]-2-PIPERAZINECARBOXYLIC ACID ETHYL ESTER, CALCIUM ION, coagulation Factor Xa | | Authors: | Shiromizu, I, Matsusue, T. | | Deposit date: | 2001-07-23 | | Release date: | 2003-09-23 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Factor Xa Specific Inhibitor that Induces the Novel Binding Model in Complex with Human Fxa
To be Published
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1IQL
 | | Human coagulation factor Xa in complex with M54476 | | Descriptor: | 4-[[(1E)-2-(4-CHLOROPHENYL)ETHENYL]SULFONYL]-1-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]PIPERAZINONE, CALCIUM ION, coagulation Factor Xa | | Authors: | Shiromizu, I, Matsusue, T. | | Deposit date: | 2001-07-23 | | Release date: | 2003-09-23 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Factor Xa Specific Inhibitor that Induces the Novel Binding Model in Complex with Human Fxa
To be Published
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1RFN
 | | HUMAN COAGULATION FACTOR IXA IN COMPLEX WITH P-AMINO BENZAMIDINE | | Descriptor: | CALCIUM ION, P-AMINO BENZAMIDINE, PROTEIN (COAGULATION FACTOR IX), ... | | Authors: | Hopfner, K.-P, Lang, A, Karcher, A, Sichler, K, Kopetzki, E, Brandstetter, H, Huber, R, Bode, W, Engh, R.A. | | Deposit date: | 1999-04-19 | | Release date: | 1999-09-01 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Coagulation factor IXa: the relaxed conformation of Tyr99 blocks substrate binding.
Structure Fold.Des., 7, 1999
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5T86
 | | Crystal structure of CDI complex from E. coli A0 34/86 | | Descriptor: | ACETATE ION, CdiA toxin, CdiI immunity protein | | Authors: | Michalska, K, Stols, L, Jedrzejczak, R, Hayes, C.S, Goulding, C.W, Joachimiak, A, Structure-Function Analysis of Polymorphic CDI Toxin-Immunity Protein Complexes (UC4CDI), Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2016-09-06 | | Release date: | 2017-09-13 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of CDI complex from E. coli A0 34/86
To Be Published
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1SQT
 | | Substituted 2-Naphthamidine Inhibitors of Urokinase | | Descriptor: | 7-METHOXY-8-[1-(METHYLSULFONYL)-1H-PYRAZOL-4-YL]NAPHTHALENE-2-CARBOXIMIDAMIDE, Urokinase-type plasminogen activator | | Authors: | Wendt, M.D, Geyer, A, McClellan, W.J, Rockway, T.W, Weitzberg, M, Zhang, X, Mantei, R, Stewart, K, Nienaber, V, Klinghofer, V, Giranda, V.L. | | Deposit date: | 2004-03-19 | | Release date: | 2004-04-27 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.9 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
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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
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1GBJ
 | | ALPHA-LYTIC PROTEASE WITH MET 190 REPLACED BY ALA | | Descriptor: | ALPHA-LYTIC PROTEASE, SULFATE ION | | Authors: | Mace, J.E, Agard, D.A. | | Deposit date: | 1995-09-06 | | Release date: | 1996-01-29 | | Last modified: | 2021-11-03 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Kinetic and structural characterization of mutations of glycine 216 in alpha-lytic protease: a new target for engineering substrate specificity.
J.Mol.Biol., 254, 1995
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3MG8
 | | Structure of yeast 20S open-gate proteasome with Compound 16 | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, MAGNESIUM ION, N-(2,2-dimethylpropyl)-N~2~-[1H-indol-3-yl(oxo)acetyl]-L-asparaginyl-N-(2-methylbenzyl)-3-pyridin-4-yl-L-alaninamide, ... | | Authors: | Sintchak, M.D. | | Deposit date: | 2010-04-05 | | Release date: | 2011-05-18 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.59 Å) | | Cite: | Characterization of a new series of non-covalent proteasome inhibitors with exquisite potency and selectivity for the 20S beta5-subunit.
Biochem.J., 430, 2010
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1GBE
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1SGC
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4I1S
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1IHS
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1IHT
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1T32
 | | A Dual Inhibitor of the Leukocyte Proteases Cathepsin G and Chymase with Therapeutic Efficacy in Animals Models of Inflammation | | Descriptor: | 2-[3-({METHYL[1-(2-NAPHTHOYL)PIPERIDIN-4-YL]AMINO}CARBONYL)-2-NAPHTHYL]-1-(1-NAPHTHYL)-2-OXOETHYLPHOSPHONIC ACID, Cathepsin G, SULFATE ION | | Authors: | de Garavilla, L, Greco, M.N, Giardino, E.C, Wells, G.I, Haertlein, B.J, Kauffman, J.A, Corcoran, T.W, Derian, C.K, Eckardt, A.J, Abraham, W.M, Sukumar, N, Chen, Z, Pineda, A.O, Mathews, F.S, Di Cera, E, Andrade-Gordon, P, Damiano, B.P, Maryanoff, B.E. | | Deposit date: | 2004-04-23 | | Release date: | 2005-03-01 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | A novel, potent dual inhibitor of the leukocyte proteases cathepsin G and chymase: molecular mechanisms and anti-inflammatory activity in vivo.
J.Biol.Chem., 280, 2005
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1INC
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1T4V
 | | Crystal Structure Analysis of a novel Oxyguanidine bound to Thrombin | | Descriptor: | Hirudin IIIA, N-ALLYL-5-AMIDINOAMINOOXY-PROPYLOXY-3-CHLORO-N-CYCLOPENTYLBENZAMIDE, Prothrombin | | Authors: | Spurlino, J. | | Deposit date: | 2004-04-30 | | Release date: | 2005-03-22 | | Last modified: | 2024-10-30 | | 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
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1J9C
 | | Crystal Structure of tissue factor-factor VIIa complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-phenylalaninamide, ... | | Authors: | Huang, M, Ruf, W, Edgington, T.S, Wilson, I.A. | | Deposit date: | 2001-05-24 | | Release date: | 2004-07-27 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Ligand Induced Conformational Transitions of Tissue Factor. Crystal Structure of the Tissue Factor:Factor VIIa Complex.
To be Published
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1FZZ
 | | THE CRYSTAL STRUCTURE OF THE COMPLEX OF NON-PEPTIDIC INHIBITOR ONO-6818 AND PORCINE PANCREATIC ELASTASE. | | Descriptor: | 2-(5-AMINO-6-OXO-2-PHENYL-6H-PYRIMIDIN-1-YL)-N-[2-(5-TERT-BUTYL-1,3,4-OXADIAZOL-2-YL)-1-(METHYLETHYL)-2-HYDROXYETHYL]ACETAMIDE, ELASTASE 1 | | Authors: | Odagaki, Y, Ohmoto, K, Matsuoka, S, Hamanaka, N, Nakai, H, Toda, M, Katsuya, Y. | | Deposit date: | 2000-10-04 | | Release date: | 2001-10-04 | | Last modified: | 2017-10-04 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | The crystal structure of the complex of non-peptidic inhibitor of human neutrophil elastase ONO-6818 and porcine pancreatic elastase.
Bioorg.Med.Chem., 9, 2001
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1GBA
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1RJX
 | | Human PLASMINOGEN CATALYTIC DOMAIN, K698M MUTANT | | Descriptor: | Plasminogen, SULFATE ION | | Authors: | Terzyan, S, Wakeham, N, Zhai, P, Rodgers, K, Zhang, X.C. | | Deposit date: | 2003-11-20 | | Release date: | 2003-12-02 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Characterization of Lys-698 to met substitution in human plasminogen catalytic domain
Proteins, 56, 2004
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5F66
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1G2L
 | | FACTOR XA INHIBITOR COMPLEX | | Descriptor: | CALCIUM ION, COAGULATION FACTOR X, [(1-{2[(4-CARBAMIMIDOYL-PHENYLAMINO)-METHYL]-1-METHYL-1H-BENZOIMIDAZOL-5-YL}-CYCLOPROPYL)-PYRIDIN-2-YL-METHYLENEAMINOOXY]-ACETIC ACID ETHYL ESTER | | Authors: | Nar, H. | | Deposit date: | 2000-10-20 | | Release date: | 2001-10-20 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural basis for inhibition promiscuity of dual specific thrombin and factor Xa blood coagulation inhibitors.
Structure, 9, 2001
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1G30
 | | THROMBIN INHIBITOR COMPLEX | | Descriptor: | HIRUDIN IIB, PROTHROMBIN, [(1-{2[(4-CARBAMIMIDOYL-PHENYLAMINO)-METHYL]-1-METHYL-1H-BENZOIMIDAZOL-5-YL}-CYCLOPROPYL)-PYRIDIN-2-YL-METHYLENEAMINOOXY]-ACETIC ACID ETHYL ESTER | | Authors: | Nar, H. | | Deposit date: | 2000-10-23 | | Release date: | 2001-10-23 | | Last modified: | 2018-10-03 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural basis for inhibition promiscuity of dual specific thrombin and factor Xa blood coagulation inhibitors.
Structure, 9, 2001
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