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1DX5
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BU of 1dx5 by Molmil
Crystal structure of the thrombin-thrombomodulin complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, FORMIC ACID, ...
Authors:Fuentes-Prior, P, Iwanaga, Y, Huber, R, Pagila, R, Rumennik, G, Seto, M, Morser, J, Light, D.R, Bode, W.
Deposit date:1999-12-20
Release date:2000-04-10
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural Basis for the Anticoagulant Activity of the Thrombin-Thrombomodulin Complex
Nature, 404, 2000
1TMR
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BU of 1tmr by Molmil
THE STRUCTURE OF A 19 RESIDUE FRAGMENT FROM THE C-LOOP OF THE FOURTH EPIDERMAL GROWTH FACTOR-LIKE DOMAIN OF THROMBOMODULIN
Descriptor: THROMBOMODULIN PRECURSOR
Authors:Adler, M, Seto, M, Nitecki, D, Light, D.R, Morser, J.
Deposit date:1994-05-20
Release date:1995-06-08
Last modified:2022-03-02
Method:SOLUTION NMR
Cite:The structure of a 19-residue fragment from the C-loop of the fourth epidermal growth factor-like domain of thrombomodulin.
J.Biol.Chem., 270, 1995
7K4M
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BU of 7k4m by Molmil
Crystal structure of MetAP2 Modified Hemoglobin S
Descriptor: CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ...
Authors:Musayev, F.N, Safo, M.K, Light, D.R.
Deposit date:2020-09-15
Release date:2021-10-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:MetAP2 inhibition modifies hemoglobin S to delay polymerization and improves blood flow in sickle cell disease.
Blood Adv, 5, 2021
1QBN
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BU of 1qbn by Molmil
Bovine Trypsin 2-[amino(imino)methyl]-2-hydroxyphenoxy]-6-[3-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]pyridine-4-carboxylic Acid (ZK-806688) Complex
Descriptor: 2-[AMINO(IMINO)METHYL]-2-HYDROXYPHENOXY]-6-[3-(4,5-DIHYDRO-1H-IMIDAZOL-2-YL)PHENOXY]PYRIDINE-4-CARBOXYLIC ACID, CALCIUM ION, PROTEIN (TRYPSIN)
Authors:Whitlow, M.
Deposit date:1999-04-25
Release date:2000-05-03
Last modified:2011-07-13
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
1QB6
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BU of 1qb6 by Molmil
BOVINE TRYPSIN 3,3'-[3,5-DIFLUORO-4-METHYL-2, 6-PYRIDINEDIYLBIS(OXY)]BIS(BENZENECARBOXIMIDAMIDE) (ZK-805623) COMPLEX
Descriptor: 3,3'-[3,5-DIFLUORO-4-METHYL-2,6-PYRIDYLENEBIS(OXY)]-BIS(BENZENECARBOXIMIDAMIDE), CALCIUM ION, POTASSIUM ION, ...
Authors:Whitlow, M.
Deposit date:1999-04-29
Release date:2000-04-29
Last modified:2011-07-13
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
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:2018-01-24
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
2AEI
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BU of 2aei by Molmil
Crystal structure of a ternary complex of factor VIIa/tissue factor and 2-[[6-[3-(aminoiminomethyl)phenoxy]-3,5-difluro-4-[(1-methyl-3-phenylpropyl)amino]-2-pyridinyl]oxy]-benzoic acid
Descriptor: 2-({6-{3-[AMINO(IMINO)METHYL]PHENOXY}-3,5-DIFLUORO-4-[(1-METHYL-3-PHENYLPROPYL)AMINO]-2-PYRIDINYL}OXY)BENZOIC ACID, CACODYLATE ION, CALCIUM ION, ...
Authors:Adler, M, Whitlow, M.
Deposit date:2005-07-22
Release date:2006-08-01
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:The discovery of fluoropyridine-based inhibitors of the Factor VIIa/TF complex.
Bioorg.Med.Chem.Lett., 15, 2005
1FJS
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BU of 1fjs by Molmil
CRYSTAL STRUCTURE OF THE INHIBITOR ZK-807834 (CI-1031) COMPLEXED WITH FACTOR XA
Descriptor: CALCIUM ION, CHLORIDE ION, COAGULATION FACTOR XA, ...
Authors:Adler, M, Whitlow, M.
Deposit date:2000-08-08
Release date:2000-10-04
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Preparation, characterization, and the crystal structure of the inhibitor ZK-807834 (CI-1031) complexed with factor Xa.
Biochemistry, 39, 2000
2P3U
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BU of 2p3u by Molmil
Crystal structure of human factor XA complexed with 3-chloro-N-(4-chloro-2-{[(5-chloropyridin-2-yl)amino]carbonyl}-6-methoxyphenyl)-4-[(1-methyl-1H-imidazol-2-yl)methyl]thiophene-2-carboxamide {Pfizer 320663}
Descriptor: 3-CHLORO-N-(4-CHLORO-2-{[(5-CHLOROPYRIDIN-2-YL)AMINO]CARBONYL}-6-METHOXYPHENYL)-4-[(1-METHYL-1H-IMIDAZOL-2-YL)METHYL]THIOPHENE-2-CARBOXAMIDE, CALCIUM ION, Coagulation factor X
Authors:Adler, M, Whitlow, M.
Deposit date:2007-03-09
Release date:2007-09-11
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:

2P3T
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BU of 2p3t by Molmil
Crystal structure of human factor XA complexed with 3-Chloro-4-(2-methylamino-imidazol-1-ylmethyl)-thiophene-2-carboxylic acid [4-chloro-2-(5-chloro-pyridin-2-ylcarbamoyl)-6-methoxy-phenyl]-amide
Descriptor: 3-CHLORO-4-(2-METHYLAMINO-IMIDAZOL-1-YLMETHYL)-THIOPHENE-2-CARBOXYLIC ACID [4-CHLORO-2-(5-CHLORO-PYRIDIN-2-YLCARBAMOYL)-6-METHOXY-PHENYL]-AMIDE, CALCIUM ION, CHLORIDE ION, ...
Authors:Adler, M, Whitlow, M.
Deposit date:2007-03-09
Release date:2008-01-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Thiophene-anthranilamides as highly potent and orally available factor xa inhibitors.
J.Med.Chem., 50, 2007
1MQ6
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BU of 1mq6 by Molmil
Crystal Structure of 3-chloro-N-[4-chloro-2-[[(5-chloro-2-pyridinyl)amino]carbonyl]-6-methoxyphenyl]-4-[[(4,5-dihydro-2-oxazolyl)methylamino]methyl]-2-thiophenecarboxamide Complexed with Human Factor Xa
Descriptor: 3-CHLORO-N-[4-CHLORO-2-[[(5-CHLORO-2-PYRIDINYL)AMINO]CARBONYL]-6-METHOXYPHENYL]-4-[[(4,5-DIHYDRO-2-OXAZOLYL)METHYLAMINO]METHYL]-2-THIOPHENECARBOXAMIDE, CALCIUM ION, COAGULATION FACTOR X HEAVY CHAIN, ...
Authors:Adler, M, Whitlow, M.
Deposit date:2002-09-13
Release date:2003-01-28
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structures of Two Potent Nonamidine Inhibitors Bound to Factor Xa
Biochemistry, 41, 2002
1MQ5
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BU of 1mq5 by Molmil
Crystal Structure of 3-chloro-N-[4-chloro-2-[[(4-chlorophenyl)amino]carbonyl]phenyl]-4-[(4-methyl-1-piperazinyl)methyl]-2-thiophenecarboxamide Complexed with Human Factor Xa
Descriptor: 3-CHLORO-N-[4-CHLORO-2-[[(4-CHLOROPHENYL)AMINO]CARBONYL]PHENYL]-4-[(4-METHYL-1-PIPERAZINYL)METHYL]-2-THIOPHENECARBOXAMIDE, CALCIUM ION, COAGULATION FACTOR X HEAVY CHAIN, ...
Authors:Adler, M, Whitlow, M.
Deposit date:2002-09-13
Release date:2003-01-28
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structures of Two Potent Nonamidine Inhibitors Bound to Factor Xa
Biochemistry, 41, 2002
1QB9
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BU of 1qb9 by Molmil
BOVINE TRYPSIN 7-[[2-[[1-(1-IMINOETHYL)PIPERIDIN-4-YL]OXY]-9H-CARBOZOL-9-YL] METHYL]NAPHTHALENE-2-CARBOXIMIDAMIDE (ZK-806450) COMPLEX
Descriptor: 7-[[2-[[1-(1-IMINOETHYL)PIPERIDIN-4-YL]OXY]-9H-CARBOZOL-9-YL]METHYL]NAPHTHALENE-2-CARBOXIMIDAMID, CALCIUM ION, POTASSIUM ION, ...
Authors:Whitlow, M.
Deposit date:1999-04-30
Release date:2000-04-30
Last modified:2014-03-12
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
1QBO
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BU of 1qbo by Molmil
BOVINE TRYPSIN 7-[[6-[[1-(1-IMINOETHYL)PIPERIDIN-4-YL]OXY]-2-METHYL-BENZIMIDAZOL-1-YL]METHYL]NAPHTHALENE-2-CARBOXIMIDAMID ZK-806711 INHIBITOR COMPLEX
Descriptor: 7-[[6-[[1-(1-IMINOETHYL)PIPERIDIN-4-YL]OXY]-2-METHYL-BENZIMIDAZOL-1-YL]METHYL]NAPHTHALENE-2-CARBOXIMIDAMID, CALCIUM ION, PROTEIN (TRYPSIN)
Authors:Whitlow, M.
Deposit date:1999-04-26
Release date:2000-05-03
Last modified:2014-03-12
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
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
5TO3
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BU of 5to3 by Molmil
Crystal structure of thrombin mutant W215A/E217A fused to EGF456 of thrombomodulin via a 31-residue linker and bound to PPACK
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-beta-D-mannopyranose-(1-4)-beta-D-mannopyranose-(1-4)-alpha-D-mannopyranose-(1-4)-[beta-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-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, ...
Authors:Barranco-Medina, S, Murphy, M, Pelc, L, Chen, Z, Di Cera, E, Pozzi, N.
Deposit date:2016-10-16
Release date:2017-03-29
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Rational Design of Protein C Activators.
Sci Rep, 7, 2017

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