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1NFX
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CRYSTAL STRUCTURE OF HUMAN COAGULATION FACTOR XA COMPLEXED WITH RPR208944
分子名称: 4-[(6-CHLORO-1-BENZOTHIEN-2-YL)SULFONYL]-1-{[1-(2-HYDROXYETHYL)-1H-PYRROLO[3,2-C]PYRIDIN-2-YL]METHYL}PIPERAZIN-2-ONE, CALCIUM ION, COAGULATION FACTOR XA, ...
著者Maignan, S, Guilloteau, J.P.
登録日2002-12-16
公開日2003-02-25
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Molecular structures of human Factor Xa complexed with ketopiperazine inhibitors: preference for a neutral group in the S1 pocket.
J.Med.Chem., 46, 2003
1QJ6
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Novel Covalent Active Site Thrombin Inhibitors
分子名称: 6-CARBAMIMIDOYL-2-[2-HYDROXY-5-(3-METHOXY-PHENYL)-INDAN-1-YL]-HEXANOIC ACID, HIRUGEN, THROMBIN
著者Jhoti, H, Cleasby, A.
登録日1999-06-22
公開日2000-06-22
最終更新日2018-05-30
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal Structures of Thrombin Complexed to a Novel Series of Synthetic Inhibitors Containing a 5,5-Trans-Lactone Template
Biochemistry, 38, 1999
1HAI
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THE ISOMORPHOUS STRUCTURES OF PRETHROMBIN2, HIRUGEN-AND PPACK-THROMBIN: CHANGES ACCOMPANYING ACTIVATION AND EXOSITE BINDING TO THROMBIN
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ALPHA-THROMBIN (LARGE SUBUNIT), ALPHA-THROMBIN (SMALL SUBUNIT), ...
著者Tulinsky, A, Vijayalakshmi, J.
登録日1994-06-27
公開日1994-12-20
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献The isomorphous structures of prethrombin2, hirugen-, and PPACK-thrombin: changes accompanying activation and exosite binding to thrombin.
Protein Sci., 3, 1994
1NFW
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CRYSTAL STRUCTURE OF HUMAN COAGULATION FACTOR XA COMPLEXED WITH RPR209685
分子名称: 4-{[(E)-2-(5-CHLOROTHIEN-2-YL)VINYL]SULFONYL}-1-(1H-PYRROLO[3,2-C]PYRIDIN-2-YLMETHYL)PIPERAZIN-2-ONE, CALCIUM ION, COAGULATION FACTOR XA, ...
著者Maignan, S, Guilloteau, J.P.
登録日2002-12-16
公開日2003-02-25
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Molecular structures of human Factor Xa complexed with ketopiperazine inhibitors: preference for a neutral group in the S1 pocket.
J.Med.Chem., 46, 2003
1HAO
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COMPLEX OF HUMAN ALPHA-THROMBIN WITH A 15MER OLIGONUCLEOTIDE GGTTGGTGTGGTTGG (BASED ON NMR MODEL OF DNA)
分子名称: ALPHA-THROMBIN heavy chain, ALPHA-THROMBIN light chain, D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, ...
著者Tulinsky, A, Padmanabhan, K.
登録日1995-10-03
公開日1996-04-03
最終更新日2013-02-27
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献An ambiguous structure of a DNA 15-mer thrombin complex.
Acta Crystallogr.,Sect.D, 52, 1996
1NFU
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CRYSTAL STRUCTURE OF HUMAN COAGULATION FACTOR XA COMPLEXED WITH RPR132747
分子名称: 3-({4-[(6-CHLORO-1-BENZOTHIEN-2-YL)SULFONYL]-2-OXOPIPERAZIN-1-YL}METHYL)BENZENECARBOXIMIDAMIDE, CALCIUM ION, COAGULATION FACTOR XA, ...
著者Maignan, S, Guilloteau, J.P.
登録日2002-12-16
公開日2003-02-25
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Molecular structures of human Factor Xa complexed with ketopiperazine inhibitors: preference for a neutral group in the S1 pocket.
J.Med.Chem., 46, 2003
1NFY
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CRYSTAL STRUCTURE OF HUMAN COAGULATION FACTOR XA COMPLEXED WITH RPR200095
分子名称: 4-({4-[(6-CHLORO-1-BENZOTHIEN-2-YL)SULFONYL]-2-OXOPIPERAZIN-1-YL}METHYL)BENZENECARBOXIMIDAMIDE, CALCIUM ION, Coagulation factor XA, ...
著者Maignan, S, Guilloteau, J.P.
登録日2002-12-16
公開日2003-02-25
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Molecular structures of human Factor Xa complexed with ketopiperazine inhibitors: preference for a neutral group in the S1 pocket.
J.Med.Chem., 46, 2003
1NRS
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CRYSTALLOGRAPHIC STRUCTURES OF THROMBIN COMPLEXED WITH THROMBIN RECEPTOR PEPTIDES: EXISTENCE OF EXPECTED AND NOVEL BINDING MODES
分子名称: ALPHA-THROMBIN (LARGE SUBUNIT), ALPHA-THROMBIN (SMALL SUBUNIT), HIRUGEN, ...
著者Tulinsky, A, Mathews, I.I.
登録日1994-01-18
公開日1994-05-31
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystallographic structures of thrombin complexed with thrombin receptor peptides: existence of expected and novel binding modes.
Biochemistry, 33, 1994
1KYN
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Cathepsin-G
分子名称: (2-NAPHTHALEN-2-YL-1-NAPHTHALEN-1-YL-2-OXO-ETHYL)-PHOSPHONIC ACID, cathepsin G
著者Greco, M.N, Hawkins, M.J, Powell, E.T, Almond Jr, H.R, Corcoran, T.W, De Garavilla, L, Kauffman, J.A, Recacha, R, Chattopadhyay, D, Andrade-Gordon, P, Maryanoff, B.E.
登録日2002-02-05
公開日2002-05-01
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Nonpeptide inhibitors of cathepsin G: optimization of a novel beta-ketophosphonic acid lead by structure-based drug design.
J.Am.Chem.Soc., 124, 2002
1HDT
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BU of 1hdt by Molmil
STRUCTURE OF A RETRO-BINDING PEPTIDE INHIBITOR COMPLEXED WITH HUMAN ALPHA-THROMBIN
分子名称: ALPHA-THROMBIN, HIRUGEN PEPTIDE, methyl N-(4-carbamimidamidobutanoyl)-L-phenylalanyl-L-allothreonyl-L-phenylalaninate
著者Tabernero, L, Sack, J.
登録日1994-07-25
公開日1995-10-15
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure of a retro-binding peptide inhibitor complexed with human alpha-thrombin.
J.Mol.Biol., 246, 1995
1HAP
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BU of 1hap by Molmil
COMPLEX OF HUMAN ALPHA-THROMBIN WITH A 15MER OLIGONUCLEOTIDE GGTTGGTGTGGTTGG (BASED ON X-RAY MODEL OF DNA)
分子名称: 5'-D(*GP*GP*TP*TP*GP*GP*TP*GP*TP*GP*GP*TP*TP*GP*G)-3', D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, Thrombin heavy chain, ...
著者Padmanabhan, K, Tulinsky, A.
登録日1995-10-03
公開日1996-04-03
最終更新日2013-02-27
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献An ambiguous structure of a DNA 15-mer thrombin complex.
Acta Crystallogr.,Sect.D, 52, 1996
1MQ6
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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
分子名称: 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, ...
著者Adler, M, Whitlow, M.
登録日2002-09-13
公開日2003-01-28
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal Structures of Two Potent Nonamidine Inhibitors Bound to Factor Xa
Biochemistry, 41, 2002
1MH0
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Crystal structure of the anticoagulant slow form of thrombin
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Prothrombin
著者Pineda, A.O, Savvides, S, Waksman, G, Di Cera, E.
登録日2002-08-18
公開日2002-11-08
最終更新日2021-10-27
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structure of the anticoagulant slow form of thrombin
J.Biol.Chem., 277, 2002
1L1G
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BU of 1l1g by Molmil
The Structure of Porcine Pancreatic Elastase Complexed with Xenon and Bromide, Cryoprotected with Glycerol
分子名称: BROMIDE ION, ELASTASE 1, GLYCEROL, ...
著者Panjikar, S, Tucker, P.A.
登録日2002-02-16
公開日2002-08-28
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Xenon derivatization of halide-soaked protein crystals.
Acta Crystallogr.,Sect.D, 58, 2002
1L0Z
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BU of 1l0z by Molmil
THE STRUCTURE OF PORCINE PANCREATIC ELASTASE COMPLEXED WITH XENON AND BROMIDE, CRYOPROTECTED WITH DRY PARAFFIN OIL
分子名称: BROMIDE ION, ELASTASE 1, SODIUM ION, ...
著者Tucker, P.A, Panjikar, S.
登録日2002-02-14
公開日2002-08-28
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Xenon derivatization of halide-soaked protein crystals.
Acta Crystallogr.,Sect.D, 58, 2002
1MU8
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thrombin-hirugen_l-378,650
分子名称: 2-(6-CHLORO-3-{[2,2-DIFLUORO-2-(2-PYRIDINYL)ETHYL]AMINO}-2-OXO-1(2H)-PYRAZINYL)-N-[(2-FLUORO-3-METHYL-6-PYRIDINYL)METHYL]ACETAMIDE, HIRUDIN IIB, THROMBIN
著者Burgey, C.S, Robinson, K.A, Lyle, T.A, Sanderson, P.E, Lewis, S.D, Lucas, B.J, Krueger, J.A, Singh, R, Miller-Stein, C, White, R.B, Wong, B, Lyle, E.A, Williams, P.D, Coburn, C.A, Dorsey, B.D, Barrow, J.C, Stranieri, M.T, Holahan, M.A, Sitko, G.R, Cook, J.J, McMasters, D.R, McDonough, C.M, Sanders, W.M, Wallace, A.A, Clayton, F.C, Bohn, D, Leonard, Y.M, Detwiler Jr, T.J, Lynch Jr, J.J, Yan, Y, Chen, Z, Kuo, L, Gardell, S.J, Shafer, J.A, Vacca, J.P.J.
登録日2002-09-23
公開日2004-04-06
最終更新日2021-07-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Metabolism-directed optimization of 3-aminopyrazinone acetamide thrombin inhibitors. Development of an orally bioavailable series containing P1 and P3 pyridines.
J.Med.Chem., 46, 2003
1NY2
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Human alpha thrombin inhibited by RPPGF and hirugen
分子名称: Hirugen, Inhibitor peptide RPPGF, thrombin Heavy chain, ...
著者Krishnan, R, Tulinsky, A, Schmaier, A.H, Hasan, A.A, Warnock, M, Srikanth, S, Mahdi, F.
登録日2003-02-11
公開日2003-03-04
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Mechanisms of Arg-Pro-Pro-Gly-Phe inhibition of thrombin.
Am.J.Physiol.Heart Circ.Physiol., 285, 2003
1NRP
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CRYSTALLOGRAPHIC STRUCTURES OF THROMBIN COMPLEXED WITH THROMBIN RECEPTOR PEPTIDES: EXISTENCE OF EXPECTED AND NOVEL BINDING MODES
分子名称: ALPHA-THROMBIN (LARGE SUBUNIT), ALPHA-THROMBIN (SMALL SUBUNIT), RECEPTOR BASED PEPTIDE NR'S
著者Tulinsky, A, Mathews, I.I.
登録日1994-01-18
公開日1994-05-31
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystallographic structures of thrombin complexed with thrombin receptor peptides: existence of expected and novel binding modes.
Biochemistry, 33, 1994
1P8V
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CRYSTAL STRUCTURE OF THE COMPLEX OF PLATELET RECEPTOR GPIB-ALPHA AND ALPHA-THROMBIN AT 2.6A
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIISOPROPYL PHOSPHONATE, ...
著者Dumas, J.J, Kumar, R, Seehra, J, Somers, W.S, Mosyak, L.
登録日2003-05-07
公開日2003-07-22
最終更新日2021-10-27
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal Structure of the GpIbalpha-Thrombin Complex Essential for Platelet Aggregation
Science, 301, 2003
1NRN
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CRYSTALLOGRAPHIC STRUCTURES OF THROMBIN COMPLEXED WITH THROMBIN RECEPTOR PEPTIDES: EXISTENCE OF EXPECTED AND NOVEL BINDING MODES
分子名称: ALPHA-THROMBIN (LARGE SUBUNIT), ALPHA-THROMBIN (SMALL SUBUNIT), RECEPTOR BASED PEPTIDE NRS
著者Tulinsky, A, Mathews, I.I.
登録日1994-01-18
公開日1994-05-31
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Crystallographic structures of thrombin complexed with thrombin receptor peptides: existence of expected and novel binding modes.
Biochemistry, 33, 1994
1NRO
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CRYSTALLOGRAPHIC STRUCTURES OF THROMBIN COMPLEXED WITH THROMBIN RECEPTOR PEPTIDES: EXISTENCE OF EXPECTED AND NOVEL BINDING MODES
分子名称: ALPHA-THROMBIN (LARGE SUBUNIT), ALPHA-THROMBIN (SMALL SUBUNIT), RECEPTOR BASED PEPTIDE NRP
著者Tulinsky, A, Mathews, I.I.
登録日1994-01-18
公開日1994-05-31
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Crystallographic structures of thrombin complexed with thrombin receptor peptides: existence of expected and novel binding modes.
Biochemistry, 33, 1994
1OYT
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COMPLEX OF RECOMBINANT HUMAN THROMBIN WITH A DESIGNED FLUORINATED INHIBITOR
分子名称: (3ASR,4RS,8ASR,8BRS)-4-(2-(4-FLUOROBENZYL)-1,3-DIOXODEACAHYDROPYRROLO[3,4-A] PYRROLIZIN-4-YL)BENZAMIDINE, CALCIUM ION, Hirudin IIB, ...
著者Banner, D.W, Olsen, J.A.
登録日2003-04-07
公開日2003-06-24
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献A Fluorine Scan of Thrombin Inhibitors to Map the Fluorophilicity/Fluorophobicity of an Enzyme Active Site: Evidence for CF...C=O Interactions.
Angew.Chem.Int.Ed.Engl., 42, 2003
1MU6
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Crystal Structure of Thrombin in Complex with L-378,622
分子名称: 2-(6-CHLORO-3-{[2,2-DIFLUORO-2-(2-PYRIDINYL)ETHYL]AMINO}-2-OXO-1(2H)-PYRAZINYL)-N-[(2-FLUORO-6-PYRIDINYL)METHYL]ACETAMIDE, HIRUDIN IIB, THROMBIN
著者Burgey, C.S, Robinson, K.A, Lyle, T.A, Sanderson, P.E, Lewis, S.D, Lucas, B.J, Krueger, J.A, Singh, R, Miller-Stein, C, White, R.B, Wong, B, Lyle, E.A, Williams, P.D, Coburn, C.A, Dorsey, B.D, Barrow, J.C, Stranieri, M.T, Holahan, M.A, Sitko, G.R, Cook, J.J, McMasters, D.R, McDonough, C.M, Sanders, W.M, Wallace, A.A, Clayton, F.C, Bohn, D, Leonard, Y.M, Detwiler Jr, T.J, Lynch Jr, J.J, Yan, Y, Chen, Z, Kuo, L, Gardell, S.J, Shafer, J.A, Vacca, J.P.J.
登録日2002-09-23
公開日2004-04-06
最終更新日2021-07-21
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Metabolism-directed optimization of 3-aminopyrazinone acetamide thrombin inhibitors. Development of an orally bioavailable series containing P1 and P3 pyridines.
J.Med.Chem., 46, 2003
1OKX
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Binding Structure of Elastase Inhibitor Scyptolin A
分子名称: ELASTASE 1, SCYPTOLIN A
著者Matern, U, Schleberger, C, Jelakovic, S, Weckesser, J, Schulz, G.E.
登録日2003-07-31
公開日2003-10-24
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Binding Structure of Elastase Inhibitor Scyptolin A
Chem.Biol., 10, 2003
1ORF
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The Oligomeric Structure of Human Granzyme A Reveals the Molecular Determinants of Substrate Specificity
分子名称: D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, Granzyme A, SULFATE ION
著者Bell, J.K, Goetz, D.H, Mahrus, S, Harris, J.L, Fletterick, R.J, Craik, C.S.
登録日2003-03-12
公開日2003-07-01
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献The oligomeric structure of human granzyme A is a determinant of its extended substrate specificity.
Nat.Struct.Biol., 10, 2003

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