PDB: 1731 件ウェブページステータス検索Chemie searchBIRD

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8BO3	COAGULATION FACTOR XI PROTEASE DOMAIN IN COMPLEX WITH ACTIVE SITE INHIBITOR Asundexian 分子名称: 4-[[(2~{S})-2-[4-[5-chloranyl-2-[4-(trifluoromethyl)-1,2,3-triazol-1-yl]phenyl]-5-methoxy-2-oxidanylidene-pyridin-1-yl]butanoyl]amino]-2-fluoranyl-benzamide, CITRIC ACID, Coagulation factor XIa light chain 著者 Schaefer, M, Roehrig, S, Ackerstaff, J, Nunez, E.J, Gericke, K.M, Meier, K, Tersteegen, A, Stampfuss, J, Ellerbrock, P, Meibom, D, Lang, D, Heitmeier, S, Hillisch, A. 登録日 2022-11-14 公開日 2023-09-13 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.841 Å) 主引用文献 Design and Preclinical Characterization Program toward Asundexian (BAY 2433334), an Oral Factor XIa Inhibitor for the Prevention and Treatment of Thromboembolic Disorders. J.Med.Chem., 66, 2023
8BO5	COAGULATION FACTOR XI PROTEASE DOMAIN IN COMPLEX WITH ACTIVE SITE INHIBITOR 3 分子名称: 2-[4-(3-chlorophenyl)-2,5-bis(oxidanylidene)pyrrolo[3,4-b]pyridin-1-yl]-~{N}-[4-(1~{H}-1,2,3,4-tetrazol-5-yl)phenyl]ethanamide, CITRIC ACID, Coagulation factor XIa light chain, ... 著者 Schaefer, M, Roehrig, S, Ackerstaff, J, Nunez, E.J, Gericke, K.M, Meier, K, Tersteegen, A, Stampfuss, J, Ellerbrock, P, Meibom, D, Lang, D, Heitmeier, S, Hillisch, A. 登録日 2022-11-14 公開日 2023-09-13 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Design and Preclinical Characterization Program toward Asundexian (BAY 2433334), an Oral Factor XIa Inhibitor for the Prevention and Treatment of Thromboembolic Disorders. J.Med.Chem., 66, 2023
8BO6	COAGULATION FACTOR XI PROTEASE DOMAIN IN COMPLEX WITH ACTIVE SITE INHIBITOR 2 分子名称: (~{E})-~{N}-[[5-(3-azanyl-1~{H}-indazol-6-yl)-4-chloranyl-1~{H}-imidazol-2-yl]methyl]-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enamide, CITRIC ACID, Coagulation factor XIa light chain, ... 著者 Schaefer, M, Roehrig, S, Ackerstaff, J, Nunez, E.J, Gericke, K.M, Meier, K, Tersteegen, A, Stampfuss, J, Ellerbrock, P, Meibom, D, Lang, D, Heitmeier, S, Hillisch, A. 登録日 2022-11-14 公開日 2023-09-13 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.25 Å) 主引用文献 Design and Preclinical Characterization Program toward Asundexian (BAY 2433334), an Oral Factor XIa Inhibitor for the Prevention and Treatment of Thromboembolic Disorders. J.Med.Chem., 66, 2023
8BO7	COAGULATION FACTOR XI PROTEASE DOMAIN IN COMPLEX WITH ACTIVE SITE INHIBITOR 34 分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-[[(2~{S})-2-[4-(5-chloranyl-2-cyano-phenyl)-3-methoxy-6-oxidanylidene-2,5-dihydropyridin-1-yl]-3-[(2~{S})-oxan-2-yl]propanoyl]amino]benzoic acid, CITRIC ACID, ... 著者 Schaefer, M, Roehrig, S, Ackerstaff, J, Nunez, E.J, Gericke, K.M, Meier, K, Tersteegen, A, Stampfuss, J, Ellerbrock, P, Meibom, D, Lang, D, Heitmeier, S, Hillisch, A. 登録日 2022-11-14 公開日 2023-09-13 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.25 Å) 主引用文献 Design and Preclinical Characterization Program toward Asundexian (BAY 2433334), an Oral Factor XIa Inhibitor for the Prevention and Treatment of Thromboembolic Disorders. J.Med.Chem., 66, 2023
2X4T	Crystal structure of MHC CLass I HLA-A2.1 bound to a Peiodate- cleavable peptide 分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 65 KDA PHOSPHOPROTEIN, BETA-2-MICROGLOBULIN, ... 著者 Rodenko, B, Toebes, M, Celie, P.H.N, Perrakis, A, Schumacher, T.N.M, Ovaa, H. 登録日 2010-02-02 公開日 2010-03-02 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Class I Major Histocompatibility Complexes Loaded by a Periodate Trigger. J.Am.Chem.Soc., 131, 2009
2X4Q	Crystal structure of MHC CLass I HLA-A2.1 bound to a photocleavable peptide 分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, BETA-2-MICROGLOBULIN, GLYCEROL, ... 著者 Celie, P.H.N, Toebes, M, Rodenko, B, Ovaa, H, Perrakis, A, Schumacher, T.N.M. 登録日 2010-02-02 公開日 2010-03-02 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Class I Major Histocompatibility Complexes Loaded by a Periodate Trigger. J.Am.Chem.Soc., 131, 2009
2X70	Crystal structure of MHC CLass I HLA-A2.1 bound to a photocleavable peptide 分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, BETA-2-MICROGLOBULIN, GLYCEROL, ... 著者 Celie, P.H.N, Toebes, M, Rodenko, B, Ovaa, H, Perrakis, A, Schumacher, T.N.M. 登録日 2010-02-22 公開日 2010-12-08 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Uv-Induced Ligand Exchange in Mhc Class I Protein Crystals. J.Am.Chem.Soc., 131, 2009
2X4P	Crystal structure of MHC CLass I HLA-A2.1 bound to a photocleavable peptide 分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, BETA-2-MICROGLOBULIN, GLYCEROL, ... 著者 Celie, P.H.N, Toebes, M, Rodenko, B, Ovaa, H, Perrakis, A, Schumacher, T.N.M. 登録日 2010-02-02 公開日 2010-03-02 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Class I Major Histocompatibility Complexes Loaded by a Periodate Trigger. J.Am.Chem.Soc., 131, 2009
2X4N	Crystal structure of MHC CLass I HLA-A2.1 bound to residual fragments of a photocleavable peptide that is cleaved upon UV-light treatment 分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, BETA-2-MICROGLOBULIN, GLYCEROL, ... 著者 Celie, P.H.N, Toebes, M, Rodenko, B, Ovaa, H, Perrakis, A, Schumacher, T.N.M. 登録日 2010-02-02 公開日 2010-03-02 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2.34 Å) 主引用文献 Uv-Induced Ligand Exchange in Mhc Class I Protein Crystals. J.Am.Chem.Soc., 131, 2009
1L6U	NMR STRUCTURE OF OXIDIZED ADRENODOXIN 分子名称: Adrenodoxin 1, FE2/S2 (INORGANIC) CLUSTER 著者 Beilke, D, Weiss, R, Lohr, F, Pristovsek, P, Hannemann, F, Bernhardt, R, Rueterjans, H. 登録日 2002-03-14 公開日 2002-06-26 最終更新日 2020-02-05 実験手法 SOLUTION NMR 主引用文献 A new electron transport mechanism in mitochondrial steroid hydroxylase systems based on structural changes upon the reduction of adrenodoxin. Biochemistry, 41, 2002
2X4S	Crystal structure of MHC CLass I HLA-A2.1 bound to a peptide representing the epitope of the H5N1 (Avian Flu) Nucleoprotein 分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, BETA-2-MICROGLOBULIN, GLYCEROL, ... 著者 Celie, P.H.N, Toebes, M, Rodenko, B, Ovaa, H, Perrakis, A, Schumacher, T.N.M. 登録日 2010-02-02 公開日 2010-03-02 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2.55 Å) 主引用文献 Uv-Induced Ligand Exchange in Mhc Class I Protein Crystals J.Am.Chem.Soc., 131, 2009
2X4O	Crystal structure of MHC CLass I HLA-A2.1 bound to HIV-1 envelope peptide env120-128 分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, BETA-2-MICROGLOBULIN, ENVELOPE GLYCOPROTEIN GP160, ... 著者 Celie, P.H.N, Toebes, M, Rodenko, B, Ovaa, H, Perrakis, A, Schumacher, T.N.M. 登録日 2010-02-02 公開日 2010-03-02 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Uv-Induced Ligand Exchange in Mhc Class I Protein Crystals. J.Am.Chem.Soc., 131, 2009
2XKS	Prion-like conversion during amyloid formation at atomic resolution 分子名称: BETA-2-MICROGLOBULIN 著者 Eichner, T, Kalverda, A.P, Thompson, G.S, Radford, S.E, Homans, S.W. 登録日 2010-07-12 公開日 2011-02-16 最終更新日 2020-01-15 実験手法 SOLUTION NMR 主引用文献 Conformational Conversion During Amyloid Formation at Atomic Resolution. Mol.Cell, 41, 2011
2X4R	Crystal structure of MHC CLass I HLA-A2.1 bound to Cytomegalovirus (CMV) pp65 epitope 分子名称: 65 KDA PHOSPHOPROTEIN, BETA-2-MICROGLOBULIN, GLYCEROL, ... 著者 Celie, P.H.N, Toebes, M, Rodenko, B, Ovaa, H, Perrakis, A, Schumacher, T.N.M. 登録日 2010-02-02 公開日 2010-03-02 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Uv-Induced Ligand Exchange in Mhc Class I Protein Crystals. J.Am.Chem.Soc., 131, 2009
2X89	Structure of the Beta2_microglobulin involved in amyloidogenesis 分子名称: ANTIBODY, BETA-2-MICROGLOBULIN 著者 Domanska, K, Srinivasan, V, Vanderhaegen, S, Pardon, E, Marquez, J.A, Bellotti, V, Wyns, L, Steyaert, J. 登録日 2010-03-07 公開日 2011-01-19 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2.16 Å) 主引用文献 Atomic Structure of a Nanobody-Trapped Domain-Swapped Dimer of an Amyloidogenic {Beta}2-Microglobulin Variant. Proc.Natl.Acad.Sci.USA, 108, 2011
2XKU	Prion-like conversion during amyloid formation at atomic resolution 分子名称: BETA-2-MICROGLOBULIN 著者 Eichner, T, Kalverda, A.P, Thompson, G.S, Homans, S.W, Radford, S.E. 登録日 2010-07-12 公開日 2011-02-09 最終更新日 2023-06-14 実験手法 SOLUTION NMR 主引用文献 Conformational Conversion During Amyloid Formation at Atomic Resolution. Mol.Cell, 41, 2011
1L6V	STRUCTURE OF REDUCED BOVINE ADRENODOXIN 分子名称: Adrenodoxin 1, FE2/S2 (INORGANIC) CLUSTER 著者 Beilke, D, Weiss, R, Lohr, F, Pristovsek, P, Hannemann, F, Bernhardt, R, Rueterjans, H. 登録日 2002-03-14 公開日 2002-06-26 最終更新日 2024-05-22 実験手法 SOLUTION NMR 主引用文献 A new electron transport mechanism in mitochondrial steroid hydroxylase systems based on structural changes upon the reduction of adrenodoxin. Biochemistry, 41, 2002
2XPG	Crystal structure of a MHC class I-peptide complex 分子名称: BETA-2-MICROGLOBULIN, HLA CLASS I HISTOCOMPATIBILITY ANTIGEN, A-3 ALPHA CHAIN, ... 著者 McMahon, R.M, Friis, L, Siebold, C, Friese, M.A, Fugger, L, Jones, E.Y. 登録日 2010-08-26 公開日 2011-04-27 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Structure of Hla-A0301 in Complex with a Peptide of Proteolipid Protein: Insights Into the Role of Hla-A Alleles in Susceptibility to Multiple Sclerosis Acta Crystallogr.,Sect.D, 67, 2011
2V2K	THE CRYSTAL STRUCTURE OF FDXA, A 7FE FERREDOXIN FROM MYCOBACTERIUM SMEGMATIS 分子名称: ACETATE ION, FE3-S4 CLUSTER, FERREDOXIN 著者 Ricagno, S, de Rosa, M, Aliverti, A, Zanetti, G, Bolognesi, M. 登録日 2007-06-06 公開日 2007-07-03 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 The Crystal Structure of Fdxa, a 7Fe Ferredoxin from Mycobacterium Smegmatis. Biochem.Biophys.Res.Commun., 360, 2007
4XHD	STRUCTURE OF HUMAN PREGNANE X RECEPTOR LIGAND BINDING DOMAIN WITH COMPOUND-1 分子名称: GLYCEROL, N-{(2R)-1-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl}-2-cyclopropylacetamide, Nuclear receptor subfamily 1 group I member 2 著者 Khan, J.A, Camac, D.M. 登録日 2015-01-05 公開日 2015-01-28 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Developing Adnectins That Target SRC Co-Activator Binding to PXR: A Structural Approach toward Understanding Promiscuity of PXR. J.Mol.Biol., 427, 2015
2QTL	Crystal Structure of the FAD-containing FNR-like Module of Human Methionine Synthase Reductase 分子名称: FLAVIN-ADENINE DINUCLEOTIDE, Methionine synthase reductase 著者 Wolthers, K.R, Lou, X, Toogood, H.S, Leys, D, Scrutton, N.S. 登録日 2007-08-02 公開日 2007-11-13 最終更新日 2022-12-21 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Mechanism of Coenzyme Binding to Human Methionine Synthase Reductase Revealed through the Crystal Structure of the FNR-like Module and Isothermal Titration Calorimetry Biochemistry, 46, 2007
2QTZ	Crystal Structure of the NADP+-bound FAD-containing FNR-like Module of Human Methionine Synthase Reductase 分子名称: FLAVIN-ADENINE DINUCLEOTIDE, Methionine synthase reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE 著者 Wolthers, K.R, Lou, X, Toogood, H.S, Leys, D, Scrutton, N.S. 登録日 2007-08-02 公開日 2007-11-13 最終更新日 2022-12-21 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Mechanism of Coenzyme Binding to Human Methionine Synthase Reductase Revealed through the Crystal Structure of the FNR-like Module and Isothermal Titration Calorimetry Biochemistry, 46, 2007
5ESC	Crystal structure of Group A Streptococcus HupZ 分子名称: HupZ 著者 Agniswamy, J, Weber, I.T. 登録日 2015-11-16 公開日 2016-05-25 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 In vitro heme biotransformation by the HupZ enzyme from Group A streptococcus. Biometals, 29, 2016
7UW6	The co-crystal structure of low molecular weight protein tyrosine phosphatase (LMW-PTP) with a small molecule inhibitor SPAA-2 分子名称: 2-[(1,3-benzothiazol-2-yl)amino]-2-oxoethane-1-sulfonic acid, Low molecular weight phosphotyrosine protein phosphatase 著者 Wang, J, Zhang, Z.Y. 登録日 2022-05-02 公開日 2022-10-19 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Structure-Based Design of Active-Site-Directed, Highly Potent, Selective, and Orally Bioavailable Low-Molecular-Weight Protein Tyrosine Phosphatase Inhibitors. J.Med.Chem., 65, 2022
2W6W	Crystal structure of recombinant Sperm Whale Myoglobin under 1atm of Xenon 分子名称: GLYCEROL, MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, ... 著者 Miele, A.E, Draghi, F, Renzi, F, Sciara, G, Johnson, K.A, Vallone, B, Brunori, M, Savino, C. 登録日 2008-12-19 公開日 2009-04-28 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (1.99 Å) 主引用文献 Pattern of Cavities in Globins: The Case of Human Hemoglobin. Biopolymers, 91, 2009

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