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2BD5
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BU of 2bd5 by Molmil
Porcine pancreatic elastase complexed with beta-casomorphin-7 and Lys-Ser at pH 5 and immersed in pH 9 buffer for 30 seconds
分子名称: CALCIUM ION, Elastase-1, LYSINE, ...
著者Liu, B, Schofield, C.J, Wilmouth, R.C.
登録日2005-10-20
公開日2006-05-30
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural analyses on intermediates in serine protease catalysis
J.Biol.Chem., 281, 2006
2BB4
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BU of 2bb4 by Molmil
Porcine pancreatic elastase complexed with beta-casomorphin-7 and Asp-Phe at pH 5.0
分子名称: ASPARTIC ACID, CALCIUM ION, Elastase-1, ...
著者Liu, B, Schofield, C.J, Wilmouth, R.C.
登録日2005-10-17
公開日2006-05-30
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural analyses on intermediates in serine protease catalysis
J.Biol.Chem., 281, 2006
2ALP
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BU of 2alp by Molmil
REFINED STRUCTURE OF ALPHA-LYTIC PROTEASE AT 1.7 ANGSTROMS RESOLUTION. ANALYSIS OF HYDROGEN BONDING AND SOLVENT STRUCTURE
分子名称: ALPHA-LYTIC PROTEASE, SULFATE ION
著者Fujinaga, M, Delbaere, L.T.J, Brayer, G.D, James, M.N.G.
登録日1985-03-07
公開日1985-07-17
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Refined structure of alpha-lytic protease at 1.7 A resolution. Analysis of hydrogen bonding and solvent structure.
J.Mol.Biol., 184, 1985
2BDB
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BU of 2bdb by Molmil
Porcine pancreatic elastase complexed with Asn-Pro-Ile and Ala-Ala at pH 5.0
分子名称: ALANINE, CALCIUM ION, Elastase-1, ...
著者Liu, B, Schofield, C.J, Wilmouth, R.C.
登録日2005-10-20
公開日2006-05-30
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural analyses on intermediates in serine protease catalysis
J.Biol.Chem., 281, 2006
2BDA
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BU of 2bda by Molmil
Porcine pancreatic elastase complexed with N-acetyl-NPI and Ala-Ala at pH 5.0
分子名称: ALANINE, CALCIUM ION, Elastase-1, ...
著者Liu, B, Schofield, C.J, Wilmouth, R.C.
登録日2005-10-20
公開日2006-05-30
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural analyses on intermediates in serine protease catalysis
J.Biol.Chem., 281, 2006
2BDC
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BU of 2bdc by Molmil
Porcine pancreatic elastase complexed with Asn-Pro-Ile at pH 5.0
分子名称: CALCIUM ION, Elastase-1, SULFATE ION
著者Liu, B, Schofield, C.J, Wilmouth, R.C.
登録日2005-10-20
公開日2006-05-30
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural analyses on intermediates in serine protease catalysis
J.Biol.Chem., 281, 2006
2BD2
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BU of 2bd2 by Molmil
Porcine pancreatic elastase complexed with beta-casomorphin-7 and Arg-Phe at pH 5.0
分子名称: ARGININE, CALCIUM ION, Elastase-1, ...
著者Liu, B, Schofield, C.J, Wilmouth, R.C.
登録日2005-10-20
公開日2006-05-30
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural analyses on intermediates in serine protease catalysis
J.Biol.Chem., 281, 2006
1MKW
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BU of 1mkw by Molmil
THE CO-CRYSTAL STRUCTURE OF UNLIGANDED BOVINE ALPHA-THROMBIN AND PRETHROMBIN-2: MOVEMENT OF THE YPPW SEGMENT AND ACTIVE SITE RESIDUES UPON LIGAND BINDING
分子名称: ALPHA-THROMBIN, PRETHROMBIN-2
著者Malkowski, M.G, Edwards, B.F.P.
登録日1997-03-13
公開日1997-07-07
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The co-crystal structure of unliganded bovine alpha-thrombin and prethrombin-2: movement of the Tyr-Pro-Pro-Trp segment and active site residues upon ligand binding.
Protein Sci., 6, 1997
1LTO
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BU of 1lto by Molmil
Human alpha1-tryptase
分子名称: alpha tryptase I
著者Marquardt, U, Zettl, F, Huber, R, Bode, W, Sommerhoff, C.P.
登録日2002-05-20
公開日2003-05-20
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The Crystal Structure of Human alpha1-Tryptase Reveals a Blocked Substrate-binding Region
J.MOL.BIOL., 321, 2002
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
分子名称: ACETYL-ALA-PRO-ALA, CALCIUM ION, ELASTASE, ...
著者Meyer Junior, E.F, Radhakrishnan, R, M Cole, G, Presta, L.G.
登録日1995-07-31
公開日1996-01-29
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structure of the product complex of acetyl-Ala-Pro-Ala with porcine pancreatic elastase at 1.65 A resolution.
J.Mol.Biol., 189, 1986
1O0D
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BU of 1o0d by Molmil
Human Thrombin complexed with a d-Phe-Pro-Arg-type Inhibitor and a C-terminal Hirudin derived exo-site inhibitor
分子名称: (2-{2-[(5-CARBAMIMIDOYL-1-METHYL-1H-PYRROL-2-YLMETHYL)-CARBAMOYL]-PYRROL-1-YL}- 1-CYCLOHEXYLMETHYL-2-OXO-ETHYLAMINO)-ACETIC ACID, Decapeptide Hirudin Analogue, Thrombin heavy chain, ...
著者Lange, U.E, Bauke, D, Hornberger, W, Mack, H, Seitz, W, Hoeffken, H.W.
登録日2003-02-21
公開日2003-10-14
最終更新日2018-04-04
実験手法X-RAY DIFFRACTION (2.44 Å)
主引用文献D-Phe-Pro-Arg type thrombin inhibitors: unexpected selectivity by modification of the P1 moiety
Bioorg.Med.Chem.Lett., 13, 2003
1LQD
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BU of 1lqd by Molmil
CRYSTAL STRUCTURE OF FXA IN COMPLEX WITH 45.
分子名称: 1-(3-CARBAMIMIDOYL-BENZYL)-4-METHYL-1H-INDOLE-2-CARBOXYLIC ACID 3,5-DIMETHYL-BENZYLAMIDE, Blood coagulation factor Xa, CALCIUM ION
著者Schreuder, H.A, Loenze, P, Brachvogel, V, Liesum, A.
登録日2002-05-10
公開日2003-05-10
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Design and Quantitative Structure-Activity relationship of 3-amidinobenzyl-1H-indole-2-carboxamides as potent, nonchiral, and selective inhibitors of blood coagulation factor Xa
J.Med.Chem., 45, 2002
1LPK
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BU of 1lpk by Molmil
CRYSTAL STRUCTURE OF FXA IN COMPLEX WITH 125.
分子名称: 1-(3-CARBAMIMIDOYL-BENZYL)-1H-INDOLE-2-CARBOXYLIC ACID 3-CARBAMIMIDOYL-BENZYLESTER, Blood coagulation factor Xa, CALCIUM ION
著者Schreuder, H.A, Loenze, P, Brachvogel, V, Liesum, A.
登録日2002-05-08
公開日2003-05-08
最終更新日2021-10-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Design and Quantitative Structure-Activity relationship of 3-amidinobenzyl-1H-indole-2-carboxamides as potent, nonchiral, and selective inhibitors of blood coagulation factor Xa
J.Med.Chem., 45, 2002
1LPG
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BU of 1lpg by Molmil
CRYSTAL STRUCTURE OF FXA IN COMPLEX WITH 79.
分子名称: Blood coagulation factor Xa, CALCIUM ION, [4-({[5-BENZYLOXY-1-(3-CARBAMIMIDOYL-BENZYL)-1H-INDOLE-2-CARBONYL]-AMINO}-METHYL)-PHENYL]-TRIMETHYL-AMMONIUM
著者Schreuder, H.A, Brachvogel, V, Liesum, A.
登録日2002-05-08
公開日2003-05-08
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Design and Quantitative Structure-Activity relationship of 3-amidinobenzyl-1H-indole-2-carboxamides as potent, nonchiral, and selective inhibitors of blood coagulation factor Xa.
J.Med.Chem., 45, 2002
1LPZ
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BU of 1lpz by Molmil
CRYSTAL STRUCTURE OF FXA IN COMPLEX WITH 41.
分子名称: 1-(3-carbamimidoylbenzyl)-N-(3,5-dichlorobenzyl)-4-methyl-1H-indole-2-carboxamide, Blood coagulation factor Xa, CALCIUM ION
著者Schreuder, H.A, Brachvogel, V, Liesum, A.
登録日2002-05-08
公開日2003-05-08
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Design and Quantitative Structure-Activity relationship of 3-amidinobenzyl-1H-indole-2-carboxamides as potent, nonchiral, and selective inhibitors of blood coagulation factor Xa
J.Biol.Chem., 45, 2002
1PPB
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BU of 1ppb by Molmil
THE REFINED 1.9 ANGSTROMS CRYSTAL STRUCTURE OF HUMAN ALPHA-THROMBIN: INTERACTION WITH D-PHE-PRO-ARG CHLOROMETHYLKETONE AND SIGNIFICANCE OF THE TYR-PRO-PRO-TRP INSERTION SEGMENT
分子名称: 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
著者Bode, W.
登録日1991-10-24
公開日1994-01-31
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献The refined 1.9 A crystal structure of human alpha-thrombin: interaction with D-Phe-Pro-Arg chloromethylketone and significance of the Tyr-Pro-Pro-Trp insertion segment.
EMBO J., 8, 1989
1NZQ
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BU of 1nzq by Molmil
D-Phe-Pro-Arg-Type Thrombin Inhibitor
分子名称: (2-{2-[(5-CARBAMIMIDOYL-1-METHYL-1H-PYRROL-3-YLMETHYL)-CARBAMOYL]-PYRROL-1-YL} -1-CYCLOHEXYLMETHYL-2-OXO-ETHYLAMINO)-ACETIC ACID, Decapeptide Hirudin Analogue, Thrombin heavy chain, ...
著者Lange, U.E, Bauke, D, Hornberger, W, Mack, H, Seitz, W, Hoeffken, H.W.
登録日2003-02-19
公開日2003-10-14
最終更新日2018-04-04
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献D-Phe-Pro-Arg type thrombin inhibitors: unexpected selectivity by modification of the P1 moiety
Bioorg.Med.Chem.Lett., 13, 2003
1OP8
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BU of 1op8 by Molmil
Crystal Structure of Human Granzyme A
分子名称: Granzyme A, SULFATE ION
著者Hink-Schauer, C, Estebanez-Perpina, E, Bode, W, Jenne, D.
登録日2003-03-05
公開日2003-07-01
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of the apoptosis-inducing human granzyme A dimer
NAT.STRUCT.BIOL., 10, 2003
1P57
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BU of 1p57 by Molmil
Extracellular domain of human hepsin
分子名称: 2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}BENZENOLATE, Serine protease hepsin
著者Somoza, J.R, Ho, J.D, Luong, C, Sprengeler, P.A, Mortara, K, Shrader, W.D, Sperandio, D, Chan, H, McGrath, M.E, Katz, B.A.
登録日2003-04-25
公開日2004-01-20
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献The Structure of the Extracellular Region of Human Hepsin Reveals a Serine Protease Domain and a Novel Scavenger Receptor Cysteine-Rich (SRCR) Domain
Structure, 11, 2003
1ZML
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BU of 1zml by Molmil
Crystal Structure of the Catalytic Domain of Factor XI in complex with (R)-1-(4-(4-(hydroxymethyl)-1,3,2-dioxaborolan-2-yl)phenethyl)guanidine
分子名称: (R)-1-(4-(4-(HYDROXYMETHYL)-1,3,2-DIOXABOROLAN-2-YL)PHENETHYL)GUANIDINE, BICARBONATE ION, Coagulation factor XI, ...
著者Lazarova, T.I, Jin, L, Rynkiewicz, M.J, Gorga, J.C, Bibbins, F, Meyers, H.V, Babine, R.E, Strickler, J.E.
登録日2005-05-10
公開日2006-05-09
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Synthesis and in vitro biological evaluation of aryl boronic acids as potential inhibitors of factor XIa.
Bioorg.Med.Chem.Lett., 16, 2006
2A0Q
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BU of 2a0q by Molmil
Structure of thrombin in 400 mM potassium chloride
分子名称: 2-acetamido-2-deoxy-alpha-D-glucopyranose, CHLORIDE ION, POTASSIUM ION, ...
著者Papaconstantinou, M, Carrell, C.J, Pineda, A.O, Bobofchak, K.M, Mathews, F.S, Flordellis, C.S, Maragoudakis, M.E, Tsopanoglou, N.E, di Cera, E.
登録日2005-06-16
公開日2005-07-12
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Thrombin Functions through Its RGD Sequence in a Non-canonical Conformation.
J.Biol.Chem., 280, 2005
2BLQ
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BU of 2blq by Molmil
Elastase After A High Dose X-Ray "Burn"
分子名称: CALCIUM ION, ELASTASE 1, SULFATE ION
著者Nanao, M.H, Ravelli, R.B.
登録日2005-03-08
公開日2005-09-07
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.33 Å)
主引用文献Improving Radiation-Damage Substructures for Rip.
Acta Crystallogr.,Sect.D, 61, 2005
2BLO
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BU of 2blo by Molmil
Elastase before a high dose x-ray "burn"
分子名称: CALCIUM ION, ELASTASE 1, SULFATE ION
著者Nanao, M.H, Ravelli, R.B.
登録日2005-03-08
公開日2005-09-07
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.33 Å)
主引用文献Improving Radiation-Damage Substructures for Rip.
Acta Crystallogr.,Sect.D, 61, 2005
1ZMJ
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BU of 1zmj by Molmil
Crystal Structure of the Catalytic Domain of Factor XI in complex with 4-(guanidinomethyl)-phenylboronic acid
分子名称: (R)-1-(4-(4-(HYDROXYMETHYL)-1,3,2-DIOXABOROLAN-2-YL)BENZYL)GUANIDINE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Coagulation factor XI, ...
著者Lazarova, T.I, Jin, L, Rynkiewicz, M.J, Gorga, J.C, Bibbins, F, Meyers, H.V, Babine, R.E, Strickler, J.E.
登録日2005-05-10
公開日2006-05-09
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Synthesis and in vitro biological evaluation of aryl boronic acids as potential inhibitors of factor XIa.
Bioorg.Med.Chem.Lett., 16, 2006
1Z6E
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BU of 1z6e by Molmil
Factor XA in complex with the inhibitor 1-(3'-amino-1,2-benzisoxazol-5'-yl)-n-(4-(2'-((dimethylamino)methyl)-1h-imidazol-1-yl)-2-fluorophenyl)-3-(trifluoromethyl)-1h-pyrazole-5-carboxamide (razaxaban; DPC906; BMS-561389)
分子名称: 1-(3-AMINO-1,2-BENZISOXAZOL-5-YL)-N-(4-{2-[(DIMETHYLAMINO)METHYL]-1H-IMIDAZOL-1-YL}-2-FLUOROPHENYL)-3-(TRIFLUOROMETHYL) -1H-PYRAZOLE-5-CARBOXAMIDE, Coagulation factor X
著者Alexander, R.S.
登録日2005-03-22
公開日2006-03-28
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Discovery of 1-(3'-aminobenzisoxazol-5'-yl)-3-trifluoromethyl-N-[2-fluoro-4-[(2'-dimethylaminomethyl)imidazol-1-yl]phenyl]-1H-pyrazole-5-carboxyamide hydrochloride (razaxaban), a highly potent, selective, and orally bioavailable factor Xa inhibitor.
J.Med.Chem., 48, 2005

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件を2024-08-28に公開中

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