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1K1O
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BU of 1k1o by Molmil
BOVINE TRYPSIN-INHIBITOR COMPLEX
Descriptor: CALCIUM ION, TRYPSIN, {[(1R)-2-((2S)-2-{[(3-{[AMINO(IMINO)METHYL]AMINO}PROPYL)AMINO]CARBONYL}PIPERIDINYL)-1-(CYCLOHEXYLMETHYL)-2-OXOETHYL]AMINO}ACETIC ACID
Authors:Stubbs, M.T.
Deposit date:2001-09-25
Release date:2001-11-28
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Factorising ligand affinity: a combined thermodynamic and crystallographic study of trypsin and thrombin inhibition.
J.Mol.Biol., 313, 2001
9API
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BU of 9api by Molmil
THE S VARIANT OF HUMAN ALPHA1-ANTITRYPSIN, STRUCTURE AND IMPLICATIONS FOR FUNCTION AND METABOLISM
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ALPHA 1-ANTITRYPSIN, ...
Authors:Loebermann, H, Tokuoka, R, Deisenhofer, J, Huber, R.
Deposit date:1988-09-08
Release date:1990-10-15
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3 Å)
Cite:The S variant of human alpha 1-antitrypsin, structure and implications for function and metabolism.
Protein Eng., 2, 1989
2AIG
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BU of 2aig by Molmil
ADAMALYSIN II WITH PEPTIDOMIMETIC INHIBITOR POL647
Descriptor: ADAMALYSIN II, CALCIUM ION, N-(furan-2-ylcarbonyl)-L-leucyl-L-tryptophan, ...
Authors:Gomis-Rueth, F.X, Meyer, E.F, Kress, L.F, Politi, V.
Deposit date:1997-10-12
Release date:1998-04-15
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structures of adamalysin II with peptidic inhibitors. Implications for the design of tumor necrosis factor alpha convertase inhibitors.
Protein Sci., 7, 1998
1MCV
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BU of 1mcv by Molmil
Crystal Structure Analysis of a Hybrid Squash Inhibitor in Complex with Porcine Pancreatic Elastase
Descriptor: CALCIUM ION, Elastase 1, HEI-TOE I, ...
Authors:Ay, J, Hilpert, K, Krauss, N, Schneider-Mergener, J, Hoehne, W.
Deposit date:2002-08-06
Release date:2003-02-04
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of a hybrid squash inhibitor in complex with porcine pancreatic elastase at 1.8 A resolution.
Acta Crystallogr.,Sect.D, 59, 2003
1ABJ
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BU of 1abj by Molmil
STRUCTURE OF THE HIRULOG 3-THROMBIN COMPLEX AND NATURE OF THE S' SUBSITES OF SUBSTRATES AND INHIBITORS
Descriptor: ALPHA-THROMBIN (LARGE SUBUNIT), ALPHA-THROMBIN (SMALL SUBUNIT), D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide
Authors:Qiu, X, Tulinsky, A.
Deposit date:1992-08-24
Release date:1994-01-31
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of the hirulog 3-thrombin complex and nature of the S' subsites of substrates and inhibitors.
Biochemistry, 31, 1992
1C9P
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BU of 1c9p by Molmil
COMPLEX OF BDELLASTASIN WITH PORCINE TRYPSIN
Descriptor: BDELLASTASIN, CALCIUM ION, TRYPSIN
Authors:Rester, U.
Deposit date:1999-08-03
Release date:2000-08-03
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure of the complex of the antistasin-type inhibitor bdellastasin with trypsin and modelling of the bdellastasin-microplasmin system.
J.Mol.Biol., 293, 1999
2ABZ
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BU of 2abz by Molmil
Crystal structure of C19A/C43A mutant of leech carboxypeptidase inhibitor in complex with bovine carboxypeptidase A
Descriptor: Carboxypeptidase A1, Metallocarboxypeptidase inhibitor, ZINC ION
Authors:Arolas, J.L, Popowicz, G.M, Bronsoms, S, Aviles, F.X, Huber, R, Holak, T.A, Ventura, S.
Deposit date:2005-07-18
Release date:2006-01-31
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Study of a major intermediate in the oxidative folding of leech carboxypeptidase inhibitor: contribution of the fourth disulfide bond
J.Mol.Biol., 352, 2005
1QA0
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BU of 1qa0 by Molmil
BOVINE TRYPSIN 2-AMINOBENZIMIDAZOLE COMPLEX
Descriptor: 2H-BENZOIMIDAZOL-2-YLAMINE, CALCIUM ION, TRYPSIN
Authors:Whitlow, M.
Deposit date:1999-04-09
Release date:2000-04-10
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystallographic analysis of potent and selective factor Xa inhibitors complexed to bovine trypsin.
Acta Crystallogr.,Sect.D, 55, 1999
1V3X
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BU of 1v3x by Molmil
Factor Xa in complex with the inhibitor 1-[6-methyl-4,5,6,7-tetrahydrothiazolo(5,4-c)pyridin-2-yl] carbonyl-2-carbamoyl-4-(6-chloronaphth-2-ylsulphonyl)piperazine
Descriptor: (2R)-4-[(6-CHLORO-2-NAPHTHYL)SULFONYL]-1-[(5-METHYL-4,5,6,7-TETRAHYDRO[1,3]THIAZOLO[5,4-C]PYRIDIN-2-YL)CARBONYL]PIPERAZ INE-2-CARBOXAMIDE, CALCIUM ION, Coagulation factor X, ...
Authors:Suzuki, M.
Deposit date:2003-11-07
Release date:2004-11-07
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Synthesis and conformational analysis of a non-amidine factor Xa inhibitor that incorporates 5-methyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine as S4 binding element
J.Med.Chem., 47, 2004
1IQG
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BU of 1iqg by Molmil
Human coagulation factor Xa in complex with M55159
Descriptor: 4-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]-1-[[4-HYDROXYIMINOMETHYL-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:2024-10-23
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Factor Xa Specific Inhibitor that Induces the Novel Binding Model in Complex with Human Fxa
To be Published
1IQN
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BU of 1iqn by Molmil
Human coagulation factor Xa in complex with M55192
Descriptor: 4-[[4-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]-6-OXO-1-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]-2-PIPERAZINYL]CARBONYL]MORPHOLINE, 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 (2.6 Å)
Cite:Factor Xa Specific Inhibitor that Induces the Novel Binding Model in Complex with Human Fxa
To be Published
5GDS
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BU of 5gds by Molmil
HIRUNORMS ARE TRUE HIRUDIN MIMETICS. THE CRYSTAL STRUCTURE OF HUMAN ALPHA-THROMBIN:HIRUNORM V COMPLEX
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ALPHA-THROMBIN, HIRUNORM V
Authors:De Simone, G, Lombardi, A, Galdiero, S, Nastri, F, Della Morte, R, Staiano, N, Pedone, C, Bolognesi, M, Pavone, V.
Deposit date:1997-07-17
Release date:1998-01-21
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Hirunorms are true hirudin mimetics. The crystal structure of human alpha-thrombin-hirunorm V complex.
Protein Sci., 7, 1998
1IQH
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BU of 1iqh by Molmil
Human coagulation factor Xa in complex with M55143
Descriptor: 4-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]-1-[[4-HYDROXYMETHYL-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 (3 Å)
Cite:Factor Xa Specific Inhibitor that Induces the Novel Binding Model in Complex with Human Fxa
To be Published
1IQE
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BU of 1iqe by Molmil
Human coagulation factor Xa in complex with M55590
Descriptor: 4-[(2R)-3-[[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]AMINO]-1-OXO-2-[[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]AMINO]PROPYL]-THIOMORPHOLINE-1,1-DIOXIDE, 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 (2.9 Å)
Cite:Factor Xa Specific Inhibitor that Induces the Novel Binding Model in Complex with Human Fxa
To be Published
1IQK
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BU of 1iqk by Molmil
Human coagulation factor Xa in complex with M55113
Descriptor: 4-[(6-CHLORO-2-NAPHTHALENYL)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:2024-10-09
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
1IQM
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BU of 1iqm by Molmil
Human coagulation factor Xa in complex with M54471
Descriptor: 1-[[(1E)-2-(4-CHLOROPHENYL)ETHENYL]SULFONYL]-4-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]PIPERAZINE, CALCIUM ION, coagulation Factor Xa
Authors:Shiromizu, I, Matsusue, T.
Deposit date:2001-07-23
Release date:2003-09-23
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Factor Xa Specific Inhibitor that Induces the Novel Binding Model in Complex with Human Fxa
To be Published
1IQI
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BU of 1iqi by Molmil
Human coagulation factor Xa in complex with M55125
Descriptor: 4-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]-1-[[1-(4-PYRIDINYL)-4-PIPERIDINYL] METHYL]-2-PIPERAZINECARBOXYLIC ACID, 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 (2.9 Å)
Cite:Factor Xa Specific Inhibitor that Induces the Novel Binding Model in Complex with Human Fxa
To be Published
1IOE
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BU of 1ioe by Molmil
Human coagulation factor Xa in complex with M55532
Descriptor: (-)-7-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]TETRAHYDRO-8A-(METHOXYMETHYL)-1'-(4-PYRIDINYL)-SPIRO[5H-OXAZOLO[3,2-A]PYRAZINE-2(3H),4'-PIPERIDIN]-5-ONE, CALCIUM ION, COAGULATION FACTOR XA
Authors:Shiromizu, I, Matsusue, T.
Deposit date:2001-03-08
Release date:2003-09-23
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Factor Xa Specific Inhibitor That Induces the Novel Binding Model In Complex With Human FXa
To be Published
1IQF
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BU of 1iqf by Molmil
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
1IQL
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BU of 1iql by Molmil
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
7AUW
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BU of 7auw by Molmil
Inhibitory complex of human meprin beta with mouse fetuin-B.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Fetuin-B, ...
Authors:Eckhard, U, Gomis-Ruth, F.X.
Deposit date:2020-11-03
Release date:2021-04-14
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The crystal structure of a 250-kDa heterotetrameric particle explains inhibition of sheddase meprin beta by endogenous fetuin-B.
Proc.Natl.Acad.Sci.USA, 118, 2021
1IQJ
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BU of 1iqj by Molmil
Human coagulation factor Xa in complex with M55124
Descriptor: 4-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]-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:2023-12-27
Method:X-RAY DIFFRACTION (3 Å)
Cite:Factor Xa Specific Inhibitor that Induces the Novel Binding Model in Complex with Human Fxa
To be Published
6V64
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BU of 6v64 by Molmil
Crystal structure of human thrombin bound to ppack with tryptophans replaced by 5-F-tryptophan
Descriptor: D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, SODIUM ION, Thrombin heavy chain, ...
Authors:Ruben, E.A, Chen, Z, Di Cera, E.
Deposit date:2019-12-04
Release date:2020-05-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:19F NMR reveals the conformational properties of free thrombin and its zymogen precursor prethrombin-2.
J.Biol.Chem., 295, 2020
1DE7
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BU of 1de7 by Molmil
INTERACTION OF FACTOR XIII ACTIVATION PEPTIDE WITH ALPHA-THROMBIN: CRYSTAL STRUCTURE OF THE ENZYME-SUBSTRATE COMPLEX
Descriptor: ALPHA-THROMBIN (HEAVY CHAIN), ALPHA-THROMBIN (LIGHT CHAIN), FACTOR XIII ACTIVATION PEPTIDE (28-37), ...
Authors:Sadasivan, C, Yee, V.C.
Deposit date:1999-11-13
Release date:2000-12-13
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2 Å)
Cite:Interaction of the factor XIII activation peptide with alpha -thrombin. Crystal structure of its enzyme-substrate analog complex.
J.Biol.Chem., 275, 2000
1TLD
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BU of 1tld by Molmil
CRYSTAL STRUCTURE OF BOVINE BETA-TRYPSIN AT 1.5 ANGSTROMS RESOLUTION IN A CRYSTAL FORM WITH LOW MOLECULAR PACKING DENSITY. ACTIVE SITE GEOMETRY, ION PAIRS AND SOLVENT STRUCTURE
Descriptor: BETA-TRYPSIN, CALCIUM ION, SULFATE ION
Authors:Bartunik, H.D, Summers, L.J, Bartsch, H.H.
Deposit date:1989-07-24
Release date:1990-01-15
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structure of bovine beta-trypsin at 1.5 A resolution in a crystal form with low molecular packing density. Active site geometry, ion pairs and solvent structure.
J.Mol.Biol., 210, 1989

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