PDB: 4050 件ウェブページステータス検索Chemie searchBIRD

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3CEN	Factor XA in complex with the inhibitor N-(2-(((5-chloro-2-pyridinyl) amino)sulfonyl)phenyl)-4-(2-oxo-1(2H)-pyridinyl)benzamide 分子名称: COAGULATION FACTOR X, HEAVY CHAIN, LIGHT CHAIN, ... 著者 Chang, C.-H. 登録日 2008-02-29 公開日 2008-05-20 最終更新日 2011-07-13 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Structure-Activity Relationships of Anthranilamide-Based Factor Xa Inhibitors Containing Piperidinone and Pyridinone P4 Moieties Bioorg.Med.Chem.Lett., 18, 2008
3E16	X-ray structure of human prostasin in complex with Benzoxazole warhead peptidomimic, lysine in P3 分子名称: DIMETHYL SULFOXIDE, GLYCEROL, Prostasin, ... 著者 Spraggon, G, Hornsby, M, Shipway, A, Harris, J.L, Lesley, S.A. 登録日 2008-08-01 公開日 2008-09-09 最終更新日 2021-10-20 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Discovery of inhibitors of the channel-activating protease prostasin (CAP1/PRSS8) utilizing structure-based design. Bioorg.Med.Chem.Lett., 18, 2008
3B23	Crystal structure of thrombin-variegin complex: Insights of a novel mechanism of inhibition and design of tunable thrombin inhibitors 分子名称: Thrombin heavy chain, Thrombin light chain, Variegin 著者 Koh, C.Y, Kumar, S, Swaminathan, K, Kini, R.M. 登録日 2011-07-20 公開日 2011-11-23 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Crystal structure of thrombin in complex with s-variegin: insights of a novel mechanism of inhibition and design of tunable thrombin inhibitors Plos One, 6, 2011
3ENS	Crystal structure of human FXA in complex with methyl (2Z)-3-[(3-chloro-1H-indol-7-yl)amino]-2-cyano-3-{[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]amino}acrylate 分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ACETATE ION, Activated factor Xa heavy chain, ... 著者 Klei, H.E. 登録日 2008-09-25 公開日 2008-12-30 最終更新日 2017-10-25 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Design, Structure-Activity Relationships, X-ray Crystal Structure, and Energetic Contributions of a Critical P1 Pharmacophore: 3-Chloroindole-7-yl-Based Factor Xa Inhibitors. J.Med.Chem., 51, 2008
3EGK	KNOBLE Inhibitor 分子名称: Hirudin variant-1, SODIUM ION, Thrombin heavy chain, ... 著者 Baum, B, Heine, A, Klebe, G, Muenzel, M. 登録日 2008-09-10 公開日 2008-09-30 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 KNOBLE: a knowledge-based approach for the design and synthesis of readily accessible small-molecule chemical probes to test protein binding Angew.Chem.Int.Ed.Engl., 46, 2007
3EE0	Crystal Structure of the W215A/E217A Mutant of Human Thrombin (space group P2(1)2(1)2(1)) 分子名称: Thrombin heavy chain, Thrombin light chain 著者 Gandhi, P.S, Page, M.J, Chen, Z, Bush-Pelc, L, Di Cera, E. 登録日 2008-09-03 公開日 2009-07-07 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (2.75 Å) 主引用文献 Molecular Basis for the Kinetic Differences of the W215A/E217A Mutant of Human and Murine Thrombin To be Published
3EDX	Crystal structure of the W215A/E217A mutant of murine thrombin 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, SULFATE ION, Thrombin heavy chain, ... 著者 Gandhi, P.S, Page, M.J, Chen, Z, Bush-pelc, L, Di Cera, E. 登録日 2008-09-03 公開日 2009-07-07 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Molecular Basis for the Kinetic Differences of the W215A/E217A Mutant of Human and Murine Thrombin To be Published
3DD2	Crystal structure of an RNA aptamer bound to human thrombin 分子名称: ACETIC ACID, D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, DI(HYDROXYETHYL)ETHER, ... 著者 Long, S.B, Sullenger, B.A. 登録日 2008-06-04 公開日 2008-11-11 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Crystal structure of an RNA aptamer bound to thrombin. Rna, 14, 2008
3DT0	Understanding Thrombin Inhibition 分子名称: Hirudin variant-1, N-(3-chlorobenzyl)-1-(4-methylpentanoyl)-L-prolinamide, SODIUM ION, ... 著者 Baum, B, Heine, A, Klebe, G. 登録日 2008-07-14 公開日 2009-06-23 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Understanding Thrombin Inhibition To be Published
3E6P	Crystal structure of human meizothrombin desF1 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, D-PHENYLALANYL-N-[(1S)-4-{[(Z)-AMINO(IMINO)METHYL]AMINO}-1-(CHLOROACETYL)BUTYL]-L-PROLINAMIDE, Prothrombin, ... 著者 Papaconstantinou, M.E, Gandhi, P, Chen, Z, Bah, A, Di Cera, E. 登録日 2008-08-15 公開日 2008-11-18 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Na(+) binding to meizothrombin desF1. Cell.Mol.Life Sci., 65, 2008
3BN9	Crystal Structure of MT-SP1 in complex with Fab Inhibitor E2 分子名称: 1,2-ETHANEDIOL, E2 Fab Heavy Chain, E2 Fab Light Chain, ... 著者 Farady, C.J, Schneider, E.L, Egea, P.F, Goetz, D.H, Craik, C.S. 登録日 2007-12-13 公開日 2008-09-09 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (2.173 Å) 主引用文献 Structure of an Fab-protease complex reveals a highly specific non-canonical mechanism of inhibition J.Mol.Biol., 380, 2008
1YPK	Thrombin Inhibitor Complex 分子名称: 10-mer peptide from Acety-Hirudin(54-65) sulfated, Prothrombin heavy chain, Prothrombin light chain, ... 著者 Czodrowski, P, Sotriffer, C, Fokkens, J, Heine, A, Klebe, G. 登録日 2005-01-31 公開日 2006-01-17 最終更新日 2017-10-11 実験手法 X-RAY DIFFRACTION (1.78 Å) 主引用文献 A Simple Protocol To Estimate Differences in Protein Binding Affinity for Enantiomers without Prior Resolution of Racemates Angew.Chem.Int.Ed.Engl., 45, 2006
3DUX	Understanding Thrombin Inhibition 分子名称: 3-cyclohexyl-D-alanyl-N-(3-chlorobenzyl)-L-prolinamide, Hirudin variant-1, SODIUM ION, ... 著者 Baum, B, Heine, A, Klebe, G. 登録日 2008-07-18 公開日 2009-06-23 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Think twice: understanding the high potency of bis(phenyl)methane inhibitors of thrombin J.Mol.Biol., 391, 2009
3EQ0	Thrombin Inhibitor 分子名称: (2S)-N-[[2-(aminomethyl)-5-chloro-phenyl]methyl]-1-[(2R)-5-carbamimidamido-2-(phenylmethylsulfonylamino)pentanoyl]pyrrolidine-2-carboxamide, Hirudin variant-1, SODIUM ION, ... 著者 Baum, B, Heine, A, Klebe, G, Steinmetzer, T. 登録日 2008-09-30 公開日 2009-08-18 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (1.53 Å) 主引用文献 Thrombin Inhibition To be Published
3ELA	Crystal structure of active site inhibited coagulation factor VIIA mutant in complex with soluble tissue factor 分子名称: CALCIUM ION, Coagulation factor VIIA heavy chain, Coagulation factor VIIA light chain, ... 著者 Bjelke, J.R, Fodje, M, Svensson, L.A. 登録日 2008-09-21 公開日 2008-11-04 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Mechanism of the Ca2+-induced enhancement of the intrinsic factor VIIa activity J.Biol.Chem., 283, 2008
3SBK	Russell's viper venom serine proteinase, RVV-V (PPACK-bound form) 分子名称: 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, Vipera russelli proteinase RVV-V gamma 著者 Nakayama, D, Ben Ammar, Y, Takeda, S. 登録日 2011-06-05 公開日 2011-09-07 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (2.55 Å) 主引用文献 Structural basis of coagulation factor V recognition for cleavage by RVV-V Febs Lett., 585, 2011
3S9B	Russell's viper venom serine proteinase, RVV-V (open-form) 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Vipera russelli proteinase RVV-V gamma 著者 Nakayama, D, Ben Ammar, Y, Takeda, S. 登録日 2011-06-01 公開日 2011-09-07 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Structural basis of coagulation factor V recognition for cleavage by RVV-V Febs Lett., 585, 2011
3S9C	Russell's viper venom serine proteinase, RVV-V in complex with the fragment (residues 1533-1546) of human factor V 分子名称: ACETATE ION, Coagulation factor V, Vipera russelli proteinase RVV-V gamma, ... 著者 Nakayama, D, Ben Ammar, Y, Takeda, S. 登録日 2011-06-01 公開日 2011-09-07 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Structural basis of coagulation factor V recognition for cleavage by RVV-V Febs Lett., 585, 2011
6SKB	Crystal Structure of Human Kallikrein 6 (N217D/I218Y/K224R) in complex with GSK3496783A 分子名称: 4-[(3~{R})-1-oxidanyl-3,4-dihydro-2,1-benzoxaborinin-3-yl]-2-(pyridin-3-ylmethoxy)benzenecarboximidamide, 4-[(3~{S})-1-oxidanyl-3,4-dihydro-2,1-benzoxaborinin-3-yl]-2-(pyridin-3-ylmethoxy)benzenecarboximidamide, GLYCEROL, ... 著者 Thorpe, J.H. 登録日 2019-08-15 公開日 2019-09-25 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.84 Å) 主引用文献 Design and development of a series of borocycles as selective, covalent kallikrein 5 inhibitors. Bioorg.Med.Chem.Lett., 29, 2019
6SJU	Human kallikrein 7 with aromatic coumarinic ester compound 3 covalently bound to H57 分子名称: (3-iodanylphenyl) 6-methyl-2-oxidanylidene-chromene-3-carboxylate, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Kallikrein-7, ... 著者 Hanke, S, Straeter, N. 登録日 2019-08-13 公開日 2020-05-20 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.97 Å) 主引用文献 Structural Studies on the Inhibitory Binding Mode of Aromatic Coumarinic Esters to Human Kallikrein-Related Peptidase 7. J.Med.Chem., 63, 2020
6SHI	Human kallikrein 7 with aromatic coumarinic ester compound 2 covalently bound to H57 分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 6-methyl-2-oxidanylidene-chromene-3-carboxylic acid, Kallikrein-7, ... 著者 Hanke, S, Straeter, N. 登録日 2019-08-06 公開日 2020-05-20 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 Structural Studies on the Inhibitory Binding Mode of Aromatic Coumarinic Esters to Human Kallikrein-Related Peptidase 7. J.Med.Chem., 63, 2020
6SKD	Crystal Structure of Human Kallikrein 6 (I218Y) in complex with GSK3397892A 分子名称: 4-[[(3~{S})-1-oxidanyl-3,4-dihydro-2,1-benzoxaborinin-3-yl]methylamino]benzenecarboximidamide, GLYCEROL, Kallikrein-6, ... 著者 Thorpe, J.H. 登録日 2019-08-15 公開日 2019-09-25 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.26 Å) 主引用文献 Design and development of a series of borocycles as selective, covalent kallikrein 5 inhibitors. Bioorg.Med.Chem.Lett., 29, 2019
3LC3	Benzothiophene Inhibitors of Factor IXa 分子名称: 1-[5-(3,4-dimethoxyphenyl)-1-benzothiophen-2-yl]methanediamine, CALCIUM ION, Coagulation factor IX 著者 Wang, S, Beck, R. 登録日 2010-01-09 公開日 2010-02-23 最終更新日 2011-07-13 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Studies of Benzothiophene Template as Potent Factor IXa (FIXa) Inhibitors in Thrombosis. J.Med.Chem., 53, 2010
6VAM	Cryo-EM structure of octameric chicken CALHM1 分子名称: Green fluorescent protein,CALHM1 chimera 著者 Syrjanen, J.L, Chou, T.H, Furukawa, H. 登録日 2019-12-17 公開日 2020-01-29 最終更新日 2020-11-11 実験手法 ELECTRON MICROSCOPY (3.63 Å) 主引用文献 Structure and assembly of calcium homeostasis modulator proteins. Nat.Struct.Mol.Biol., 27, 2020
6TKL	Non-cleavable tsetse thrombin inhibitor in complex with human alpha-thrombin 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Prothrombin, ... 著者 Calisto, B.M, Ripoll-Rozada, J, de Sanctis, D, Pereira, P.J.B. 登録日 2019-11-28 公開日 2020-11-04 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.3 Å) 主引用文献 Sulfotyrosine-Mediated Recognition of Human Thrombin by a Tsetse Fly Anticoagulant Mimics Physiological Substrates. Cell Chem Biol, 28, 2021

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