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

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2VWL	Aminopyrrolidine Factor Xa inhibitor 分子名称: 5-CHLORO-THIOPHENE-2-CARBOXYLIC ACID ((3R,5S)-1-{[2-FLUORO-4-(2-OXO-PYRIDIN-1-YL)-PHENYLCARBAMOYL]-METHYL}-5-HYDROXYMETHYL-PYRROLIDIN-3-YL)-AMIDE, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ... 著者 Groebke-Zbinden, K, Banner, D.W, Benz, J.M, Blasco, F, Decoret, G, Himber, J, Kuhn, B, Panday, N, Ricklin, F, Risch, P, Schlatter, D, Stahl, M, Unger, R, Haap, W. 登録日 2008-06-26 公開日 2009-07-07 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Design of Novel Aminopyrrolidine Factor Xa Inhibitors from a Screening Hit. Eur.J.Med.Chem., 44, 2009
2VVV	Aminopyrrolidine-related triazole Factor Xa inhibitor 分子名称: 5-chloro-N-[1-(2-{[2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl]amino}-2-oxoethyl)-1H-1,2,4-triazol-3-yl]thiophene-2-carboxamide, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ... 著者 Groebke-Zbinden, K, Banner, D.W, Benz, J.M, Blasco, F, Decoret, G, Himber, J, Kuhn, B, Panday, N, Ricklin, F, Risch, P, Schlatter, D, Stahl, M, Unger, R, Haap, W. 登録日 2008-06-12 公開日 2009-07-07 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (1.73 Å) 主引用文献 Design of Novel Aminopyrrolidine Factor Xa Inhibitors from a Screening Hit. Eur.J.Med.Chem., 44, 2009
2VWO	Aminopyrrolidine Factor Xa inhibitor 分子名称: 5-CHLORO-THIOPHENE-2-CARBOXYLIC ACID ((3S,4S)-4-FLUORO- 1-{[2-FLUORO-4-(2-OXO-2H-PYRIDIN-1-YL)-PHENYLCARBAMOYL]-METHYL}-PYRROLIDIN-3-YL)-AMIDE, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ... 著者 Groebke-Zbinden, K, Banner, D.W, Benz, J.M, Blasco, F, Decoret, G, Himber, J, Kuhn, B, Panday, N, Ricklin, F, Risch, P, Schlatter, D, Stahl, M, Unger, R, Haap, W. 登録日 2008-06-26 公開日 2009-07-07 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Design of Novel Aminopyrrolidine Factor Xa Inhibitors from a Screening Hit. Eur.J.Med.Chem., 44, 2009
2VWM	Aminopyrrolidine Factor Xa inhibitor 分子名称: (4R)-4-{[(5-chlorothiophen-2-yl)carbonyl]amino}-N-(cyclopropylmethyl)-1-(2-{[2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl]amino}-2-oxoethyl)-L-prolinamide, ACTIVATED FACTOR XA HEAVY CHAIN, FACTOR X LIGHT CHAIN, ... 著者 Groebke-Zbinden, K, Banner, D.W, Benz, J.M, Blasco, F, Decoret, G, Himber, J, Kuhn, B, Panday, N, Ricklin, F, Risch, P, Schlatter, D, Stahl, M, Unger, R, Haap, W. 登録日 2008-06-26 公開日 2009-07-07 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (1.96 Å) 主引用文献 Design of Novel Aminopyrrolidine Factor Xa Inhibitors from a Screening Hit. Eur.J.Med.Chem., 44, 2009
2VWN	Aminopyrrolidine Factor Xa inhibitor 分子名称: 5-Chloro-thiophene-2-carboxylic acid ((3S,4S)-1-{[2-fluoro-4-(2-oxo-2H-pyridin-1-yl)-phenylcarbamoyl]-methyl}-4-hydroxy-pyrrolidin-3-yl)-amide, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ... 著者 Groebke-Zbinden, K, Banner, D.W, Benz, J.M, Blasco, F, Decoret, G, Himber, J, Kuhn, B, Panday, N, Ricklin, F, Risch, P, Schlatter, D, Stahl, M, Unger, R, Haap, W. 登録日 2008-06-26 公開日 2009-07-07 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (1.61 Å) 主引用文献 Design of Novel Aminopyrrolidine Factor Xa Inhibitors from a Screening Hit. Eur.J.Med.Chem., 44, 2009
3D49	Thrombin Inhibition 分子名称: BENZAMIDINE, Hirudin variant-1, SODIUM ION, ... 著者 Baum, B, Heine, A, Klebe, G. 登録日 2008-05-14 公開日 2009-04-14 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Understanding Thrombin Inhibition To be Published
3DA9	Crystal structure of thrombin in complex with inhibitor 分子名称: Hirudin peptide, SODIUM ION, Thrombin heavy chain, ... 著者 Xue, Y, Hansson, S.K. 登録日 2008-05-29 公開日 2009-05-19 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Compounds binding to the S2-S3 pockets of thrombin. J.Med.Chem., 52, 2009
3BEI	Crystal structure of the slow form of thrombin in a self_inhibited conformation 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Prothrombin 著者 Gandhi, P.S, Chen, Z, Mathews, F.S, Di Cera, E. 登録日 2007-11-19 公開日 2007-12-25 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (1.55 Å) 主引用文献 Structural identification of the pathway of long-range communication in an allosteric enzyme. Proc.Natl.Acad.Sci.Usa, 105, 2008
3BV9	Structure of Thrombin Bound to the Inhibitor FM19 分子名称: FM19 inhibitor, GLYCEROL, IODIDE ION, ... 著者 Nieman, M.T, Burke, F, Warnock, M, Zhou, Y, Sweigert, J, Chen, A, Ricketts, D, Lucchesi, B.R, Chen, Z, Di Cera, E, Hilfinger, J, Mosberg, H.I, Schmaier, A.H. 登録日 2008-01-05 公開日 2008-03-04 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Thrombostatin FM compounds: direct thrombin inhibitors - mechanism of action in vitro and in vivo. J.Thromb.Haemost., 6, 2008
3C27	Cyanofluorophenylacetamides as Orally Efficacious Thrombin Inhibitors 分子名称: Hirudin-3A, N-[2-(carbamimidamidooxy)ethyl]-2-{6-cyano-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-fluorophenyl}acetamide, Thrombin heavy chain, ... 著者 Spurlino, J.C, McMillan, M, Lewandowski, F, Milligan, C. 登録日 2008-01-24 公開日 2009-02-17 最終更新日 2011-07-13 実験手法 X-RAY DIFFRACTION (2.182 Å) 主引用文献 Cyanofluorophenylacetamides as Orally Efficacious Thrombin Inhibitors To be Published
3DFJ	Crystal structure of human Prostasin 分子名称: CHLORIDE ION, Prostasin 著者 Su, H.P, Rickert, K.W, Darke, P.L, Munshi, S.K. 登録日 2008-06-12 公開日 2008-10-14 最終更新日 2021-10-20 実験手法 X-RAY DIFFRACTION (1.45 Å) 主引用文献 Structure of human prostasin, a target for the regulation of hypertension. J.Biol.Chem., 283, 2008
3DFL	Crystal structure of human Prostasin complexed to 4-guanidinobenzoic acid 分子名称: 4-carbamimidamidobenzoic acid, Prostasin 著者 Su, H.P, Rickert, K.W, Darke, P.L, Munshi, S.K. 登録日 2008-06-12 公開日 2008-10-14 最終更新日 2021-10-20 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Structure of human prostasin, a target for the regulation of hypertension. J.Biol.Chem., 283, 2008
3BSQ	Crystal structure of human kallikrein 7 produced as a secretion protein in E.coli 分子名称: Kallikrein-7, SULFATE ION 著者 Fernandez, I.S, Standker, L, Magert, H.J, Forssmann, W.G, Gimenez-Gallego, G, Romero, A. 登録日 2007-12-26 公開日 2008-04-29 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 Crystal structure of human epidermal kallikrein 7 (hK7) synthesized directly in its native state in E. coli: insights into the atomic basis of its inhibition by LEKTI domain 6 (LD6) J.Mol.Biol., 377, 2008
1WAY	Active site thrombin inhibitors 分子名称: 4-[3-(4-CHLOROPHENYL)-1H-PYRAZOL-5-YL]PIPERIDINE, DIMETHYL SULFOXIDE, HIRUGEN, ... 著者 Hartshorn, M.J, Murray, C.W, Cleasby, A, Frederickson, M, Tickle, I.J, Jhoti, H. 登録日 2004-10-28 公開日 2005-01-27 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (2.02 Å) 主引用文献 Fragment-Based Lead Discovery Using X-Ray Crystallography J.Med.Chem., 48, 2005
3CS7	FACTOR XA IN COMPLEX WITH THE INHIBITOR 1-(4-methoxyphenyl)-6-(4-(1-(pyrrolidin-1-ylmethyl)cyclopropyl)phenyl)-3-(trifluoromethyl)-5,6-dihydro-1H-pyrazolo[3,4-c]pyridin-7(4H)-one 分子名称: 1-(4-methoxyphenyl)-6-(4-(1-(pyrrolidin-1-ylmethyl)cyclopropyl)phenyl)-3-(trifluoromethyl)-5,6-dihydro-1H-pyrazolo[3,4-c]pyridin-7(4H)-one, CALCIUM ION, Coagulation factor X 著者 Alexander, R.S. 登録日 2008-04-09 公開日 2008-07-08 最終更新日 2011-07-13 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Achieving structural diversity using the perpendicular conformation of alpha-substituted phenylcyclopropanes to mimic the bioactive conformation of ortho-substituted biphenyl P4 moieties: discovery of novel, highly potent inhibitors of Factor Xa. Bioorg.Med.Chem.Lett., 18, 2008
1WBG	Active site thrombin inhibitors 分子名称: 3-(4-CHLOROPHENYL)-5-(METHYLTHIO)-4H-1,2,4-TRIAZOLE, DIMETHYL SULFOXIDE, HIRUGEN, ... 著者 Hartshorn, M.J, Murray, C.W, Cleasby, A, Frederickson, M, Tickle, I.J, Jhoti, H. 登録日 2004-11-01 公開日 2005-01-27 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Fragment-Based Lead Discovery Using X-Ray Crystallography J.Med.Chem., 48, 2005
3DHK	Bisphenylic Thrombin Inhibitors 分子名称: Hirudin variant-1, SODIUM ION, Thrombin heavy chain, ... 著者 Baum, B, Heine, A, Klebe, G. 登録日 2008-06-18 公開日 2009-05-19 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (1.73 Å) 主引用文献 Think twice: understanding the high potency of bis(phenyl)methane inhibitors of thrombin J.Mol.Biol., 391, 2009
4UHL	HUMAN STEROL 14-ALPHA DEMETHYLASE (CYP51) IN COMPLEX WITH VFV IN P1 SPACE GROUP 分子名称: N-[(1R)-1-(3,4'-difluorobiphenyl-4-yl)-2-(1H-imidazol-1-yl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide, PROTOPORPHYRIN IX CONTAINING FE, STEROL 14-ALPHA DEMETHYLASE 著者 Hargrove, T.Y, Wawrzak, Z, I Lepesheva, G. 登録日 2015-03-24 公開日 2016-06-15 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Human Sterol 14Alpha-Demethylase (Cyp51) as a Target for Anticancer Chemotherapy: Towards Structure-Aided Drug Design. J.Lipid Res., 57, 2016
1W7G	Alpha-thrombin complex with sulfated hirudin (residues 54-65) and L- Arginine template inhibitor CS107 分子名称: HIRUDIN I, N-{(1S)-1-{[4-(3-AMINOPROPYL)PIPERAZIN-1-YL]CARBONYL}-4-[(DIAMINOMETHYLENE)AMINO]BUTYL}-3-(TRIFLUOROMETHYL)BENZENESULFONAMIDE, THROMBIN 著者 Remiche, J, Sauvage, E, Herman, R, Charlier, P. 登録日 2004-09-02 公開日 2006-05-24 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (1.65 Å) 主引用文献 Design, Synthesis and Evaluation of Graftable Thrombin Inhibitors for the Preparation of Blood-Compatible Polymer Materials. Org.Biomol.Chem., 3, 2005
3BEF	Crystal structure of thrombin bound to the extracellular fragment of PAR1 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Proteinase-activated receptor 1, Prothrombin 著者 Gandhi, P.S, Bah, A, Chen, Z, Mathews, F.S, Di Cera, E. 登録日 2007-11-17 公開日 2008-01-01 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Structural identification of the pathway of long-range communication in an allosteric enzyme. Proc.Natl.Acad.Sci.Usa, 105, 2008
3BG8	Crystal structure of Factor XIa in complex with Clavatadine A 分子名称: BENZAMIDINE, Coagulation factor XIa light chain, N-(4-carbamimidamidobutyl)ethanamide, ... 著者 Xue, Y, Oster, L. 登録日 2007-11-26 公開日 2008-12-09 最終更新日 2021-10-13 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Clavatadine A, a natural product with selective recognition and irreversible inhibition of factor XIa. J.Med.Chem., 51, 2008
3BF6	Thrombin:suramin complex 分子名称: 8,8'-[CARBONYLBIS[IMINO-3,1-PHENYLENECARBONYLIMINO(4-METHYL-3,1-PHENYLENE)CARBONYLIMINO]]BIS-1,3,5-NAPHTHALENETRISULFONIC ACID, PHE-PRO-ARG, Thrombin, ... 著者 Lima, L.M.T.R, Polikarpov, I, Monteiro, R.Q. 登録日 2007-11-20 公開日 2007-12-25 最終更新日 2015-07-15 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Structural and thermodynamic analysis of thrombin:suramin interaction in solution and crystal phases. Biochim.Biophys.Acta, 1794, 2009
4UHI	HUMAN STEROL 14-ALPHA DEMETHYLASE (CYP51) IN COMPLEX WITH VFV IN C121 SPACE GROUP 分子名称: N-[(1R)-1-(3,4'-difluorobiphenyl-4-yl)-2-(1H-imidazol-1-yl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide, PROTOPORPHYRIN IX CONTAINING FE, STEROL 14-ALPHA DEMETHYLASE 著者 Hargrove, T.Y, Wawrzak, Z, I Lepesheva, G. 登録日 2015-03-24 公開日 2016-06-08 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (2.04 Å) 主引用文献 Human Sterol 14Alpha-Demethylase (Cyp51) as a Target for Anticancer Chemotherapy: Towards Structure-Aided Drug Design. J.Lipid Res., 57, 2016
3E0P	The X-ray structure of Human Prostasin in complex with a covalent benzoxazole inhibitor 分子名称: GLYCEROL, Prostasin, benzyl [(1R)-1-({(2S,4R)-2-({(1S)-5-amino-1-[(S)-1,3-benzoxazol-2-yl(hydroxy)methyl]pentyl}carbamoyl)-4-[(4-methylbenzyl)oxy]pyrrolidin-1-yl}carbonyl)-3-phenylpropyl]carbamate 著者 Spraggon, G, Hornsby, M, Shipway, A, Harris, J.L, Lesley, S.A. 登録日 2008-07-31 公開日 2008-09-09 最終更新日 2021-10-20 実験手法 X-RAY DIFFRACTION (1.7 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
3E3T	Structure of porcine pancreatic elastase with the magic triangle I3C 分子名称: 5-amino-2,4,6-triiodobenzene-1,3-dicarboxylic acid, Elastase-1, IODIDE ION, ... 著者 Beck, T, Gruene, T, Sheldrick, G.M. 登録日 2008-08-08 公開日 2008-10-28 最終更新日 2012-04-11 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 A magic triangle for experimental phasing of macromolecules Acta Crystallogr.,Sect.D, 64, 2008

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