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6PXQ
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BU of 6pxq by Molmil
Crystal structure of human thrombin mutant D194A
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Thrombin heavy chain, Thrombin light chain
Authors:Stojanovski, B, Chen, Z, Koester, S.K, Pelc, L.A, Di Cera, E.
Deposit date:2019-07-26
Release date:2019-12-18
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Role of the I16-D194 ionic interaction in the trypsin fold.
Sci Rep, 9, 2019
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
1AZ8
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BU of 1az8 by Molmil
BOVINE TRYPSIN COMPLEXED TO BIS-PHENYLAMIDINE INHIBITOR
Descriptor: +/-METHYL 4-(AMINOIMINOMETHYL)-BETA-[3- INH (AMINOIMINO)PHENYL]BENZENE PENTANOATE, TRYPSIN
Authors:Alexander, R, Smallwood, A.
Deposit date:1997-11-26
Release date:1999-01-13
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Unexpected Binding Mode of a Bis-Phenylamidine Factor Xa Inhibitor Complexed to Bovine Trypsin
To be Published
4PTI
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BU of 4pti by Molmil
THE GEOMETRY OF THE REACTIVE SITE AND OF THE PEPTIDE GROUPS IN TRYPSIN, TRYPSINOGEN AND ITS COMPLEXES WITH INHIBITORS
Descriptor: TRYPSIN INHIBITOR
Authors:Huber, R, Kukla, D, Ruehlmann, A, Epp, O, Formanek, H, Deisenhofer, J, Steigemann, W.
Deposit date:1982-09-27
Release date:1983-01-18
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:The Geometry of the Reactive Site and of the Peptide Groups in Trypsin, Trypsinogen and its Complexes with Inhibitors
Acta Crystallogr.,Sect.B, 39, 1983
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:2024-11-13
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
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:2024-11-20
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
1WU1
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BU of 1wu1 by Molmil
Factor Xa in complex with the inhibitor 4-[(5-chloroindol-2-yl)sulfonyl]-2-(2-methylpropyl)-1-[[5-(pyridin-4-yl) pyrimidin-2-yl]carbonyl]piperazine
Descriptor: 5-CHLORO-2-({3-ISOBUTYL-4-[(5-PYRIDIN-4-YLPYRIMIDIN-2-YL)CARBONYL]PIPERAZIN-1-YL}SULFONYL)-1H-INDOLE, CALCIUM ION, Coagulation factor X, ...
Authors:Suzuki, M.
Deposit date:2004-11-29
Release date:2005-11-29
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Design, synthesis, and biological activity of non-basic compounds as factor Xa inhibitors: SAR study of S1 and aryl binding sites
Bioorg.Med.Chem., 13, 2005
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
1XKA
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BU of 1xka by Molmil
FACTOR XA COMPLEXED WITH A SYNTHETIC INHIBITOR FX-2212A,(2S)-(3'-AMIDINO-3-BIPHENYLYL)-5-(4-PYRIDYLAMINO)PENTANOIC ACID
Descriptor: (2S)-(3'-AMIDINO-3-BIPHENYL)-5-(4-PYRIDYLAMINO)PENTANOIC ACID, BLOOD COAGULATION FACTOR XA, CALCIUM ION
Authors:Kamata, K, Kim, S.H.
Deposit date:1998-03-19
Release date:1999-03-23
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis for chemical inhibition of human blood coagulation factor Xa.
Proc.Natl.Acad.Sci.USA, 95, 1998
1XKB
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BU of 1xkb by Molmil
FACTOR XA COMPLEXED WITH A SYNTHETIC INHIBITOR FX-2212A,(2S)-(3'-AMIDINO-3-BIPHENYLYL)-5-(4-PYRIDYLAMINO)PENTANOIC ACID
Descriptor: (2S)-(3'-AMIDINO-3-BIPHENYL)-5-(4-PYRIDYLAMINO)PENTANOIC ACID, BLOOD COAGULATION FACTOR XA, CALCIUM ION
Authors:Kamata, K, Kim, S.H.
Deposit date:1998-03-19
Release date:1999-03-23
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural basis for chemical inhibition of human blood coagulation factor Xa.
Proc.Natl.Acad.Sci.USA, 95, 1998
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
3CTI
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BU of 3cti by Molmil
RELAXATION MATRIX REFINEMENT OF THE SOLUTION STRUCTURE OF SQUASH TRYPSIN INHIBITOR
Descriptor: TRYPSIN INHIBITOR
Authors:Nilges, M, Habazettl, J, Bruenger, A.T, Holak, T.A.
Deposit date:1991-03-27
Release date:1992-04-15
Last modified:2024-10-23
Method:SOLUTION NMR
Cite:Relaxation matrix refinement of the solution structure of squash trypsin inhibitor.
J.Mol.Biol., 219, 1991
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
2HNT
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BU of 2hnt by Molmil
CRYSTALLOGRAPHIC STRUCTURE OF HUMAN GAMMA-THROMBIN
Descriptor: GAMMA-THROMBIN
Authors:Tulinsky, A.
Deposit date:1994-08-23
Release date:1994-11-30
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystallographic structure of human gamma-thrombin.
J.Biol.Chem., 269, 1994
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
1TFX
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BU of 1tfx by Molmil
COMPLEX OF THE SECOND KUNITZ DOMAIN OF TISSUE FACTOR PATHWAY INHIBITOR WITH PORCINE TRYPSIN
Descriptor: CALCIUM ION, TISSUE FACTOR PATHWAY INHIBITOR, TRYPSIN
Authors:Stubbs, M.T, Huber, R.
Deposit date:1997-01-21
Release date:1998-01-21
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The second Kunitz domain of human tissue factor pathway inhibitor: cloning, structure determination and interaction with factor Xa.
J.Mol.Biol., 269, 1997
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:2024-11-13
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
1QB1
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BU of 1qb1 by Molmil
Bovine Trypsin with 1-[2-[5-[amino(imino)methyl]-2-hydroxyphenoxy]-6-[3-(4,5-dihydro-1-methyl-1H-imidazol-2-yl)phenoxy]pyridin-4-yl]piperidine-3-carboxylic Acid (ZK-806974)
Descriptor: 1-[2-[5-[AMINO(IMINO)METHYL]-2-HYDROXYPHENOXY]-6-[3-(4,5-DIHYDRO-1-METHYL-1H-IMIDAZOL-2-YL)PHENOXY] PYRIDIN-4-YL]PIPERIDINE-3-CARBOXYLIC ACID, CALCIUM ION, PROTEIN (TRYPSIN)
Authors:Whitlow, M.
Deposit date:1999-04-28
Release date:2000-04-29
Last modified:2024-11-20
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
8API
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BU of 8api 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 (CHAIN A), ...
Authors:Loebermann, H, Tokuoka, R, Deisenhofer, J, Huber, R.
Deposit date:1988-09-08
Release date:1990-10-15
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:The S variant of human alpha 1-antitrypsin, structure and implications for function and metabolism.
Protein Eng., 2, 1989
1NES
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BU of 1nes by Molmil
STRUCTURE OF THE PRODUCT COMPLEX OF ACETYL-ALA-PRO-ALA WITH PORCINE PANCREATIC ELASTASE AT 1.65 ANGSTROMS RESOLUTION
Descriptor: ACETYL-ALA-PRO-ALA, CALCIUM ION, ELASTASE, ...
Authors:Meyer Junior, E.F, Radhakrishnan, R, M Cole, G, Presta, L.G.
Deposit date:1995-07-31
Release date:1996-01-29
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structure of the product complex of acetyl-Ala-Pro-Ala with porcine pancreatic elastase at 1.65 A resolution.
J.Mol.Biol., 189, 1986
1ABI
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BU of 1abi 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), HIRULOG 3
Authors:Qiu, X, Tulinsky, A.
Deposit date:1992-08-24
Release date:1994-01-31
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of the hirulog 3-thrombin complex and nature of the S' subsites of substrates and inhibitors.
Biochemistry, 31, 1992
1A2C
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BU of 1a2c by Molmil
Structure of thrombin inhibited by AERUGINOSIN298-A from a BLUE-GREEN ALGA
Descriptor: Aeruginosin 298-A, Hirudin variant-2, SODIUM ION, ...
Authors:Rios-Steiner, J.L, Murakami, M, Tulinsky, A.
Deposit date:1997-12-26
Release date:1998-07-01
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure of Thrombin Inhibited by Aeruginosin 298-A from a Blue-Green Alga
J.Am.Chem.Soc., 120, 1998
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:2024-11-06
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
1AUJ
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BU of 1auj by Molmil
BOVINE TRYPSIN COMPLEXED TO META-CYANO-BENZYLIC INHIBITOR
Descriptor: 1-{[1-(2-AMINO-3-PHENYL-PROPIONYL)-PYRROLIDINE-2-CARBONYL]-AMINO}-2-(3-CYANO-PHENYL)-ETHANEBORONIC ACID, CALCIUM ION, TRYPSIN
Authors:Alexander, R, Smallwood, A, Kettner, C.
Deposit date:1997-08-28
Release date:1998-10-14
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:New inhibitors of thrombin and other trypsin-like proteases: hydrogen bonding of an aromatic cyano group with a backbone amide of the P1 binding site replaces binding of a basic side chain.
Biochemistry, 36, 1997
1UVS
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BU of 1uvs by Molmil
BOVINE THROMBIN--BM51.1011 COMPLEX
Descriptor: THROMBIN, [[CYCLOHEXANESULFONYL-GLYCYL]-3[PYRIDIN-4-YL-AMINOMETHYL]ALANYL]PIPERIDINE
Authors:Engh, R.A, Huber, R.
Deposit date:1996-10-16
Release date:1997-11-19
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Enzyme flexibility, solvent and 'weak' interactions characterize thrombin-ligand interactions: implications for drug design.
Structure, 4, 1996

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