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

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2AFQ	1.9 angstrom crystal structure of wild-type human thrombin in the sodium free state 分子名称: GLYCEROL, Prothrombin 著者 Johnson, D.J.D, Adams, T.E, Huntington, J.A. 登録日 2005-07-26 公開日 2005-11-15 最終更新日 2023-08-23 実験手法 X-RAY DIFFRACTION (1.93 Å) 主引用文献 Crystal structure of wild-type human thrombin in the Na+-free state Biochem.J., 392, 2005
2AEI	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 分子名称: 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, ... 著者 Adler, M, Whitlow, M. 登録日 2005-07-22 公開日 2006-08-01 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (2.52 Å) 主引用文献 The discovery of fluoropyridine-based inhibitors of the Factor VIIa/TF complex. Bioorg.Med.Chem.Lett., 15, 2005
2AER	Crystal Structure of Benzamidine-Factor VIIa/Soluble Tissue Factor complex. 分子名称: BENZAMIDINE, CALCIUM ION, CHLORIDE ION, ... 著者 Bajaj, S.P, Schmidt, A.E, Padmanabhan, K, Bajaj, M.S, Liesum, A, Dumas, J, Prevost, D, Schreuder, H. 登録日 2005-07-23 公開日 2006-07-04 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (1.87 Å) 主引用文献 High Resolution Structures of p-Aminobenzamidine- and Benzamidine-VIIa/Soluble Tissue Factor: Unpredicted conformation of the 192-193 peptide bond and mapping of Ca2+, Mg2+, Na+ and Zn2+ sites in factor VIIa J.Biol.Chem., 281, 2006
1ZRB	Thrombin in complex with an azafluorenyl inhibitor 23b 分子名称: 11-peptide hirudin fragment, 3-AZA-9-HYDROXY-9-FLUORENYLCARBONYL-L-PROLYL-2-AMINOMETHYL-5-CHLOROBENZYLAMIDE, N-OXIDE, ... 著者 Stauffer, K.J, Williams, P.D, Selnick, H.G, Nantermet, P.G, Newton, C.L, Homnick, C.F, Zrada, M.M, Lewis, S.D, Lucas, B.J, Krueger, J.A, Pietrak, B.L, Lyle, E.A, Singh, R, Miller-Stein, C, White, R.B, Wong, B, Wallace, A.A, Sitko, G.R, Cook, J.J, Holahan, M.A, Stranieri-Michener, M, Leonard, Y.M, Lynch Jr, J.J, McMasters, D.R, Yan, Y. 登録日 2005-05-19 公開日 2005-06-07 最終更新日 2013-03-13 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 9-hydroxyazafluorenes and their use in thrombin inhibitors J.Med.Chem., 48, 2005
1ZRK	Factor XI complexed with 3-hydroxypropyl 3-(7-amidinonaphthalene-1-carboxamido)benzenesulfonate 分子名称: 3-HYDROXYPROPYL 3-[({7-[AMINO(IMINO)METHYL]-1-NAPHTHYL}AMINO)CARBONYL]BENZENESULFONATE, Coagulation factor XI, SULFATE ION 著者 Guo, Z, Bannister, T, Noll, R, Jin, L, Rynkiewicz, M.J, Bibbins, F, Magee, S, Gorga, J, Babine, R, Strickler, J. 登録日 2005-05-19 公開日 2006-05-09 最終更新日 2023-08-23 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Synthesis and Optimization of Potent and Selective Inhibitors for Human Factor XIa: Substituted Naphthamidine Series To be Published
1ZPZ	Factor XI catalytic domain complexed with N-((R)-1-(4-bromophenyl)ethyl)urea-Asn-Val-Arg-alpha-ketothiazole 分子名称: Coagulation factor XI, N~2~-({[(1R)-1-(4-BROMOPHENYL)ETHYL]AMINO}CARBONYL)ASPARAGINYL-N~1~-{4-{[AMINO(IMINO)METHYL]AMINO}-1-[2,3-DIHYDRO-1,3-THIAZOL-2-YL(HYDROXY)METHYL]BUTYL}VALINAMIDE, SULFATE ION 著者 Lin, J, Deng, H, Jin, L, Prandey, P, Rynkiewicz, M.J, Bibbins, F, Cantin, S, Quinn, J, Magee, S, Gorga, J. 登録日 2005-05-18 公開日 2006-05-09 最終更新日 2023-08-23 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Design, Synthesis and Biological Evaluation of Peptidomimetic FXIa Inhibitors To be Published
1ZTK	Crystal Structure of the Catalytic Domain of Coagulation Factor XI in Complex with 2-(5-Amino-6-oxo-2-m-tolyl-6H-pyrimidin-1-yl)-N-[4-guanidino-1-(thiazole-2-carbonyl)-butyl]-acetamide 分子名称: 2-(5-AMINO-6-OXO-2-M-TOLYL-6H-PYRIMIDIN-1-YL)-N-[4-GUANIDINO-1-(THIAZOLE-2-CARBONYL)-BUTYL]-ACETAMIDE, Coagulation factor XI, SULFATE ION 著者 Nagafuji, P, Jin, L, Rynkiewicz, M, Quinn, J, Bibbins, F, Meyers, H, Babine, R.E, Strickler, J.E, Abdel-Meguid, S.S. 登録日 2005-05-27 公開日 2006-05-09 最終更新日 2023-08-23 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Pyrimidinone Inhibitors of a Thrombolytic Protease To be Published
2A7J	On the Routine Use of Soft X-Rays in Macromolecular Crystallography, Part III- The Optimal Data Collection Wavelength 分子名称: ACETATE ION, CALCIUM ION, CHLORIDE ION, ... 著者 Mueller-Dieckmann, C, Panjikar, S, Tucker, P.A, Weiss, M.S. 登録日 2005-07-05 公開日 2005-07-19 最終更新日 2011-07-13 実験手法 X-RAY DIFFRACTION (1.65 Å) 主引用文献 On the routine use of soft X-rays in macromolecular crystallography. Part III. The optimal data-collection wavelength. Acta Crystallogr.,Sect.D, 61, 2005
1ZTJ	Crystal Structure of the Catalytic Domain of Coagulation Factor XI in Complex with 2-(5-Benzylamino-2-methylsulfanyl-6-oxo-6H-pyrimidin-1-yl)-N-[4-guanidino-1-(thiazole-2-carbonyl)-butyl]-acetamide 分子名称: 2-(5-BENZYLAMINO-2-METHYLSULFANYL-6-OXO-6H-PYRIMIDIN-1-YL)-N-[4-GUANIDINO-1-(THIAZOLE-2-CARBONYL)-BUTYL]-ACETAMIDE, BICARBONATE ION, Coagulation factor XI, ... 著者 Nagafuji, P, Jin, L, Rynkiewicz, M, Quinn, J, Bibbins, F, Meyers, H, Babine, R.E, Strickler, J.E, Abdel-Meguid, S.S. 登録日 2005-05-27 公開日 2006-05-09 最終更新日 2023-08-23 実験手法 X-RAY DIFFRACTION (2.05 Å) 主引用文献 Pyrimidinone Inhibitors of a Thrombolytic Protease To be Published
1ZTL	Crystal Structure of the Catalytic Domain of Coagulation Factor XI in Complex with N-[4-Guanidino-1-(thiazole-2-carbonyl)-butyl]-2-{6-oxo-5-[(quinolin-8-ylmethyl)-amino]-2-m-tolyl-6H-pyrimidin-1-yl}-acetamide 分子名称: Coagulation factor XI, N-[4-GUANIDINO-1-(THIAZOLE-2-CARBONYL)-BUTYL]-2-{6-OXO-5-[(QUINOLIN-8-YLMETHYL)-AMINO]-2-M-TOLYL-6H-PYRIMIDIN-1-YL}-ACETAMIDE, SULFATE ION 著者 Nagafuji, P, Jin, L, Rynkiewicz, M, Quinn, J, Bibbins, F, Meyers, H, Babine, R, Strickler, J.E, Abdel-Meguid, S.S. 登録日 2005-05-27 公開日 2006-05-09 最終更新日 2023-08-23 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Pyrimidinone Inhibitors of a Thrombolytic Protease To be Published
1ZSJ	Crystal Structure of the Catalytic Domain of Coagulation Factor XI in complex with N-(7-Carbamimidoyl-naphthalen-1-yl)-3-hydroxy-2-methyl-benzamide 分子名称: BICARBONATE ION, Coagulation factor XI, N-(7-CARBAMIMIDOYL-NAPHTHALEN-1-YL)-3-HYDROXY-2-METHYL-BENZAMIDE, ... 著者 Guo, Z, Bannister, T, Noll, R, Jin, L, Rynkiewicz, M, Bibbins, F, Magee, S, Gorga, J, Babine, R.E, Strickler, J.E, Meyers, H.V, Abdel-Meguid, S.S. 登録日 2005-05-24 公開日 2006-05-23 最終更新日 2023-08-23 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Synthesis and Optimization of Potent and Selective Inhibitors for Human Factor XIa: Substituted Naphthamidine Series To be Published
1ZSK	Crystal Structure of the Catalytic Domain of Coagulation Factor XI in Complex with 6-Carbamimidoyl-4-(3-hydroxy-2-methyl-benzoylamino)-naphthalene-2-carboxylic acid methyl ester 分子名称: 6-CARBAMIMIDOYL-4-(3-HYDROXY-2-METHYL-BENZOYLAMINO)-NAPHTHALENE-2-CARBOXYLIC ACID METHYL ESTER, BICARBONATE ION, Coagulation factor XI, ... 著者 Guo, Z, Bannister, T, Noll, R, Jin, L, Rynkiewicz, M, Bibbins, F, Magee, S, Gorga, J, Babine, R.E, Strickler, J.E, Meyers, H.V, Abdel-Meguid, S.S. 登録日 2005-05-24 公開日 2006-05-23 最終更新日 2023-08-23 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Synthesis and Optimization of Potent and Selective Inhibitors for Human Factor XIa: Substituted Naphthamidine Series To be Published
2BDY	thrombin in complex with inhibitor 分子名称: Hirudin IIIB', N-(4-CARBAMIMIDOYL-BENZYL)-2-[2-HYDROXY-6-METHYL-3-(NAPHTHALENE-1-SULFONYLAMINO)-PHENYL]-ACETAMIDE, SODIUM ION, ... 著者 Xue, Y. 登録日 2005-10-21 公開日 2006-10-24 最終更新日 2017-10-18 実験手法 X-RAY DIFFRACTION (1.61 Å) 主引用文献 Phenolic P2/P3 core motif as thrombin inhibitors--design, synthesis, and X-ray co-crystal structure. Bioorg.Med.Chem.Lett., 16, 2006
2BDH	Human Kallikrein 4 complex with zinc and p-aminobenzamidine 分子名称: Kallikrein-4, P-AMINO BENZAMIDINE, ZINC ION 著者 Debela, M, Bode, W, Goettig, P, Structural Proteomics in Europe (SPINE) 登録日 2005-10-20 公開日 2006-10-03 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (3 Å) 主引用文献 Crystal structures of human tissue kallikrein 4: activity modulation by a specific zinc binding site. J.Mol.Biol., 362, 2006
2BDI	Human Kallikrein 4 complex with cobalt and p-aminobenzamidine 分子名称: COBALT (II) ION, Kallikrein-4, P-AMINO BENZAMIDINE 著者 Debela, M, Bode, W, Goettig, P, Structural Proteomics in Europe (SPINE) 登録日 2005-10-20 公開日 2006-10-03 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (3 Å) 主引用文献 Crystal structures of human tissue kallikrein 4: activity modulation by a specific zinc binding site. J.Mol.Biol., 362, 2006
2BZ6	Orally available Factor7a inhibitor 分子名称: (R)-(4-CARBAMIMIDOYL-PHENYLAMINO)-[5-ETHOXY-2-FLUORO-3-[(R)-TETRAHYDRO-FURAN-3-YLOXY]-PHENYL]-ACETIC ACID, BLOOD COAGULATION FACTOR VIIA, CALCIUM ION, ... 著者 Groebke-Zbinden, K, Obst-Sander, U, Hilpert, K, Kuehne, H, Banner, D.W, Boehm, H.J, Stahl, M, Ackermann, J, Alig, L, Weber, L, Wessel, H.P, Riederer, M.A, Tschopp, T.B, Lave, T. 登録日 2005-08-11 公開日 2006-02-22 最終更新日 2011-07-13 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Dose-Dependant Antithrombotic Activity of an Orally Active Tissue Factor/Factor Viia Inhibitor without Concomitant Enhancement of Bleeding Propensity. Bioorg.Med.Chem., 14, 2006
2C4F	crystal structure of factor VII.stf complexed with pd0297121 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-{[6-{3-[AMINO(IMINO)METHYL]PHENOXY}-4-(DIISOPROPYLAMINO)-3,5-DIFLUOROPYRIDIN-2-YL]OXY}-5-[(ISOBUTYLAMINO)CARBONYL]BEN ZOIC ACID, CALCIUM ION, ... 著者 Kohrt, J.T, Zhang, E. 登録日 2005-10-18 公開日 2006-10-18 最終更新日 2020-07-29 実験手法 X-RAY DIFFRACTION (1.72 Å) 主引用文献 The Discovery of Fluoropyridine-Based Inhibitors of the Factor Viia/Tf Complex--Part 2 Bioorg.Med.Chem.Lett., 16, 2006
1ZPB	Crystal Structure of the Catalytic Domain of Coagulation Factor XI in Complex with 4-Methyl-pentanoic acid {1-[4-guanidino-1-(thiazole-2-carbonyl)-butylcarbamoyl]-2-methyl-propyl}-amide 分子名称: 4-METHYL-PENTANOIC ACID {1-[4-GUANIDINO-1-(THIAZOLE-2-CARBONYL)-BUTYLCARBAMOYL]-2-METHYL-PROPYL}-AMIDE, Coagulation factor XI, SULFATE ION 著者 Deng, H, Bannister, T.D, Jin, L, Nagafuji, P, Celatka, C.A, Lin, J, Lazarova, T.I, Rynkiewicz, M.J, Quinn, J, Bibbins, F, Pandey, P, Gorga, J, Babine, R.E, Meyers, H.V, Abdel-Meguid, S.S, Strickler, J.E. 登録日 2005-05-16 公開日 2006-04-18 最終更新日 2023-08-23 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Synthesis, SAR exploration, and X-ray crystal structures of factor XIa inhibitors containing an alpha-ketothiazole arginine Bioorg.Med.Chem.Lett., 16, 2006
1ZHR	Crystal Structure of the Catalytic Domain of Coagulation Factor XI in Complex with Benzamidine (S434A-T475A-C482S-K437A Mutant) 分子名称: BENZAMIDINE, coagulation factor XI 著者 Jin, L, Pandey, P, Babine, R.E, Weaver, D.T, Abdel-Meguid, S.S, Strickler, J.E. 登録日 2005-04-26 公開日 2005-09-20 最終更新日 2023-08-23 実験手法 X-RAY DIFFRACTION (1.73 Å) 主引用文献 Mutation of surface residues to promote crystallization of activated factor XI as a complex with benzamidine: an essential step for the iterative structure-based design of factor XI inhibitors. Acta Crystallogr.,Sect.D, 61, 2005
1ZGV	Thrombin in complex with an oxazolopyridine inhibitor 2 分子名称: Hirudin, N7-BUTYL-N2-(5-CHLORO-2-METHYLPHENYL)-5-METHYL[1,2,4]TRIAZOLO[1,5-A]PYRIMIDINE-2,7-DIAMINE, Thrombin 著者 Deng, J.Z, McMasters, D.R, Rabbat, P.M, Williams, P.D, Coburn, C.A, Yan, Y, Kuo, L.C, Lewis, S.D, Lucas, B.J, Krueger, J.A, Strulovici, B, Vacca, J.P, Lyle, T.A, Burgey, C.S. 登録日 2005-04-22 公開日 2005-09-27 最終更新日 2013-03-13 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Development of an oxazolopyridine series of dual thrombin/factor Xa inhibitors via structure-guided lead optimization. Bioorg.Med.Chem.Lett., 15, 2005
1ZOM	Crystal Structure of the Catalytic Domain of Coagulation Factor XI in complex with a peptidomimetic Inhibitor 分子名称: (S)-2-(3-((R)-1-(4-BROMOPHENYL)ETHYL)UREIDO)-N-((S)-1-((S)-5-GUANIDINO-1-OXO-1-(THIAZOL-2-YL)PENTAN-2-YLAMINO)-3-METHYL-1-OXOBUTAN-2-YL)-5-UREIDOPENTANAMIDE, Coagulation factor XI, SULFATE ION 著者 Lin, J, Deng, H, Jin, L, Pandey, P, Rynkiewicz, M, Bibbins, F, Cantin, S, Quinn, J, Magee, S, Gorga, J. 登録日 2005-05-13 公開日 2006-05-23 最終更新日 2023-08-23 実験手法 X-RAY DIFFRACTION (2.25 Å) 主引用文献 Design, synthesis, and biological evaluation of peptidomimetic inhibitors of factor XIa as novel anticoagulants. J.Med.Chem., 49, 2006
1ZSL	Factor XI complexed with a pyrimidinone inhibitor 分子名称: 2-(2-(3,4-DICHLOROPHENYL)-5-(ISOPROPYLAMINO)-6-OXOPYRIMIDIN-1(6H)-YL)-N-((S)-1-OXO-1-(THIAZOL-2-YL)-5-GUANIDINOPENTAN-2-YL)ACETAMIDE, Coagulation factor XI 著者 Nagafuji, P, Jin, L, Rynkiewicz, M, Quinn, J, Bibbins, F, Meyers, H, Babine, R, Strickler, J, Abdel-Meguid, S. 登録日 2005-05-24 公開日 2006-05-09 最終更新日 2023-08-23 実験手法 X-RAY DIFFRACTION (2.05 Å) 主引用文献 Pyrimidinone Inhibitors of a Thrombolytic Protease To be Published
2ANK	orally active thrombin inhibitors in complex with thrombin and an exosite decapeptide 分子名称: N-[(1R)-2-[(1-{[({6-[AMINO(IMINO)METHYL]PYRIDIN-3-YL}METHYL)AMINO]CARBONYL}CYCLOPENTYL)AMINO]-1-(CYCLOHEXYLMETHYL)-2-OXOETHYL]GLYCINE, Thrombin heavy chain, Thrombin light chain, ... 著者 Lange, U.E.W, Baucke, D, Hornberger, W, Mack, H, Seitz, W, Hoeffken, H.W. 登録日 2005-08-11 公開日 2006-11-14 最終更新日 2023-08-23 実験手法 X-RAY DIFFRACTION (2.46 Å) 主引用文献 Orally active thrombin inhibitors. Part 2: optimization of the P2-moiety BIOORG.MED.CHEM.LETT., 16, 2006
2C8W	thrombin inhibitors 分子名称: (2S,3R)-N-[5-CHLORO-2-(2,3-DIHYDRO-1H-TETRAZOL-1-YL)BENZYL]-3-HYDROXY-4-{[(4-METHOXYPHENYL)SULFONYL]AMINO}-1-PHENYLBUTA N-2-AMINIUM, HIRUDIN VARIANT-2, SODIUM ION, ... 著者 Howard, N, Abell, C, Blakemore, W, Carr, R, Chessari, G, Congreve, M, Howard, S, Jhoti, H, Murray, C.W, Seavers, L.C.A, van Montfort, R.L.M. 登録日 2005-12-08 公開日 2006-07-04 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (1.96 Å) 主引用文献 Application of Fragment Screening and Fragment Linking to the Discovery of Novel Thrombin Inhibitors J.Med.Chem., 49, 2006
2B7D	Factor VIIa Inhibitors: Chemical Optimization, Preclinical Pharmacokinetics, Pharmacodynamics, and Efficacy in a Baboon Thrombosis Model 分子名称: (2R)-2-[5-(5-CARBAMIMIDOYL-1H-BENZOIMIDAZOL-2-YL)-6,2'-DIHYDROXY-5'-UREIDOMETHYL-BIPHENYL-3-YL]-SUCCINIC ACID, Coagulation factor VII, Tissue factor 著者 Young, W.B, Mordenti, J, Torkelson, S, Shrader, W.D, Kolesnikov, A, Rai, R, Liu, L, Hu, H, Leahy, E.M, Green, M.J, Sprengeler, P.A, Katz, B.A, Yu, C, Janc, J.W, Elrod, K.C, Marzec, U.M, Hanson, S.R. 登録日 2005-10-04 公開日 2006-02-14 最終更新日 2023-08-23 実験手法 X-RAY DIFFRACTION (2.24 Å) 主引用文献 Factor VIIa inhibitors: Chemical optimization, preclinical pharmacokinetics, pharmacodynamics, and efficacy in an arterial baboon thrombosis model. Bioorg.Med.Chem.Lett., 16, 2006

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