PDB: 56024 件ウェブページステータス検索Chemie searchBIRD

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2ZT9	Crystal Structure of the Cytochrome b6f Complex from Nostoc sp. PCC 7120 分子名称: (7R,17E)-4-HYDROXY-N,N,N,7-TETRAMETHYL-7-[(8E)-OCTADEC-8-ENOYLOXY]-10-OXO-3,5,9-TRIOXA-4-PHOSPHAHEPTACOS-17-EN-1-AMINIUM 4-OXIDE, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, Apocytochrome f, ... 著者 Craner, W.A, Baniulis, D, Yamashita, E. 登録日 2008-09-27 公開日 2009-02-10 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (3 Å) 主引用文献 Structure-Function, Stability, and Chemical Modification of the Cyanobacterial Cytochrome b6f Complex from Nostoc sp. PCC 7120 J.Biol.Chem., 284, 2009
4G2F	Human EphA3 kinase domain in complex with compound 7 分子名称: 1-amino-5-(5-hydroxy-2-methylphenyl)-7,8,9,10-tetrahydropyrimido[4,5-c]isoquinolin-6(5H)-one, EPH receptor A3 著者 Dong, J, Caflisch, A. 登録日 2012-07-12 公開日 2012-10-24 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (1.699 Å) 主引用文献 Discovery of a novel chemotype of tyrosine kinase inhibitors by fragment-based docking and molecular dynamics. ACS MED.CHEM.LETT., 3, 2012
3RQM	Structure of the neuronal nitric oxide synthase heme domain in complex with 6-{[(3R,4R)-4-(2-{[(2R/2S)-1-(3-fluorophenyl)propan-2-yl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine 分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-{[(3R,4R)-4-(2-{[(2R)-1-(3-fluorophenyl)propan-2-yl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine, ACETATE ION, ... 著者 Li, H, Delker, S.L, Poulos, T.L. 登録日 2011-04-28 公開日 2012-05-02 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Cyclopropyl- and methyl-containing inhibitors of neuronal nitric oxide synthase. Bioorg.Med.Chem., 21, 2013
5AVT	Kinetics by X-ray crystallography: Tl+-substitution of bound K+ in the E2.MgF42-.2K+ crystal after 5 min 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL, ... 著者 Ogawa, H, Cornelius, F, Hirata, A, Toyoshima, C. 登録日 2015-07-01 公開日 2015-09-02 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.9 Å) 主引用文献 Sequential substitution of K(+) bound to Na(+),K(+)-ATPase visualized by X-ray crystallography. Nat Commun, 6, 2015
5AW3	Kinetics by X-ray crystallography: Tl+-substitution of bound K+ in the E2.MgF42-.2K+ crystal after 100 min 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL, ... 著者 Ogawa, H, Cornelius, F, Hirata, A, Toyoshima, C. 登録日 2015-07-01 公開日 2015-09-02 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (3.35 Å) 主引用文献 Sequential substitution of K(+) bound to Na(+),K(+)-ATPase visualized by X-ray crystallography. Nat Commun, 6, 2015
2ZJW	Crystal structure of human CK2 alpha complexed with Ellagic acid 分子名称: 2,3,7,8-tetrahydroxychromeno[5,4,3-cde]chromene-5,10-dione, Casein kinase II subunit alpha 著者 Sekiguchi, Y, Kinoshita, T, Nakaniwa, T, Tada, T. 登録日 2008-03-11 公開日 2009-03-17 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Structural insight into human CK2alpha in complex with the potent inhibitor ellagic acid Bioorg.Med.Chem.Lett., 19, 2009
3RQO	Structure of the endothelial nitric oxide synthase heme domain in complex with 6-(((3R,4R)-4-(2-((1S,2R/1R,2S)-2-(3-Clorophenyl)cyclopropylamino)ethoxy)pyrrolidin-3-yl)methyl)-4-methylpyridin-2-amine 分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-{[(3R,4R)-4-(2-{[(1R,2S)-2-(3-chlorophenyl)cyclopropyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine, ACETATE ION, ... 著者 Li, H, Delker, S.L, Poulos, T.L. 登録日 2011-04-28 公開日 2012-05-02 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.08 Å) 主引用文献 Cyclopropyl- and methyl-containing inhibitors of neuronal nitric oxide synthase. Bioorg.Med.Chem., 21, 2013
4G33	Crystal Structure of a Phospholipid-Lipoxygenase Complex from Pseudomonas aeruginosa at 2.0 A (C2221) 分子名称: (2R)-3-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(tetradec-5-enoyloxy)propyl (11Z)-octadec-11-enoate, 15S-LIPOXYGENASE, FE (II) ION, ... 著者 Carpena, X, Garreta, A, Val-Moraes, S.P, Garcia-Fernandez, Q, Fita, I. 登録日 2012-07-13 公開日 2013-11-06 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.03 Å) 主引用文献 Structure and interaction with phospholipids of a prokaryotic lipoxygenase from Pseudomonas aeruginosa. Faseb J., 27, 2013
4FXQ	Full-length Certhrax toxin from Bacillus cereus in complex with Inhibitor P6 分子名称: 8-fluoro-2-(3-piperidin-1-ylpropanoyl)-1,3,4,5-tetrahydrobenzo[c][1,6]naphthyridin-6(2H)-one, CHLORIDE ION, Putative ADP-ribosyltransferase Certhrax, ... 著者 Visschedyk, D.D, Dimov, S, Kimber, M.S, Park, H.W, Merrill, A.R. 登録日 2012-07-03 公開日 2012-09-26 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (1.9599 Å) 主引用文献 Certhrax Toxin, an Anthrax-related ADP-ribosyltransferase from Bacillus cereus. J.Biol.Chem., 287, 2012
3ROQ	Crystal structure of human CD38 in complex with compound CZ-46 分子名称: (2R,3R,4S,5S)-4-fluoro-3,5-dihydroxytetrahydrofuran-2-yl 2-phenylethyl hydrogen (S)-phosphate, ADP-ribosyl cyclase 1 著者 Zhang, H, Lee, H.C, Hao, Q. 登録日 2011-04-26 公開日 2011-12-21 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Catalysis-based inhibitors of the calcium signaling function of CD38. Biochemistry, 51, 2012
5AVU	Kinetics by X-ray crystallography: Tl+-substitution of bound K+ in the E2.MgF42-.2K+ crystal after 7.0 min 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL, ... 著者 Ogawa, H, Cornelius, F, Hirata, A, Toyoshima, C. 登録日 2015-07-01 公開日 2015-09-02 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.55 Å) 主引用文献 Sequential substitution of K(+) bound to Na(+),K(+)-ATPase visualized by X-ray crystallography. Nat Commun, 6, 2015
2ZI3	C4S-E247A dCK variant of dCK in complex with D-dA+ADP 分子名称: (2R,3S,5R)-5-(6-amino-9H-purin-9-yl)-tetrahydro-2-(hydroxymethyl)furan-3-ol, ADENOSINE-5'-DIPHOSPHATE, Deoxycytidine kinase 著者 Sabini, E, Lavie, A. 登録日 2008-02-13 公開日 2008-04-22 最終更新日 2024-05-29 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Structural basis for substrate promiscuity of dCK J.Mol.Biol., 378, 2008
5AVR	Kinetics by X-ray crystallography: Tl+-substitution of bound K+ in the E2.MgF42-.2K+ crystal after 1.5 min 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL, ... 著者 Ogawa, H, Cornelius, F, Hirata, A, Toyoshima, C. 登録日 2015-07-01 公開日 2015-09-02 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 Sequential substitution of K(+) bound to Na(+),K(+)-ATPase visualized by X-ray crystallography. Nat Commun, 6, 2015
5AW2	Kinetics by X-ray crystallography: Tl+-substitution of bound K+ in the E2.MgF42-.2K+ crystal after 85 min 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL, ... 著者 Ogawa, H, Cornelius, F, Hirata, A, Toyoshima, C. 登録日 2015-07-01 公開日 2015-09-02 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (3.2 Å) 主引用文献 Sequential substitution of K(+) bound to Na(+),K(+)-ATPase visualized by X-ray crystallography. Nat Commun, 6, 2015
5AVZ	Kinetics by X-ray crystallography: Tl+-substitution of bound K+ in the E2.MgF42-.2K+ crystal after 55 min 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL, ... 著者 Ogawa, H, Cornelius, F, Hirata, A, Toyoshima, C. 登録日 2015-07-01 公開日 2015-09-02 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (3.2 Å) 主引用文献 Sequential substitution of K(+) bound to Na(+),K(+)-ATPase visualized by X-ray crystallography. Nat Commun, 6, 2015
3REY	Thermostabilised adenosine A2A receptor in complex with XAC 分子名称: Adenosine receptor A2a, N-(2-aminoethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)phenoxy]acetamide 著者 Dore, A.S, Robertson, N, Errey, J.C, Ng, I, Hollenstein, K, Tehan, B, Hurrell, E, Bennett, K, Congreve, M, Magnani, F, Tate, C.G, Weir, M, Marshall, F.H. 登録日 2011-04-05 公開日 2011-09-07 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (3.309 Å) 主引用文献 Structure of the adenosine A(2A) receptor in complex with ZM241385 and the xanthines XAC and caffeine Structure, 19, 2011
5SGA	Structures of product and inhibitor complexes of Streptomyces griseus protease a at 1.8 Angstroms resolution. a model for serine protease catalysis 分子名称: PROTEINASE A (SGPA), TETRAPEPTIDE ACE-PRO-ALA-PRO-TYR 著者 Sielecki, A.R, James, M.N.G. 登録日 1990-05-29 公開日 1991-10-15 最終更新日 2024-06-05 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Structures of product and inhibitor complexes of Streptomyces griseus protease A at 1.8 A resolution. A model for serine protease catalysis. J.Mol.Biol., 144, 1980
5LGX	Structure of Oxidised Pentaerythritol Tetranitrate Reductase 分子名称: FLAVIN MONONUCLEOTIDE, ISOPROPYL ALCOHOL, Pentaerythritol tetranitrate reductase 著者 Kwon, H, Smith, O.M, Moody, P.C.E. 登録日 2016-07-08 公開日 2017-02-15 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Combining X-ray and neutron crystallography with spectroscopy. Acta Crystallogr D Struct Biol, 73, 2017
3RQN	Structure of the neuronal nitric oxide synthase heme domain in complex with 6-(((3*R*,4*R*)-4-(2-(((*S* )-1-(3-fluorophenyl)propan-2-yl)amino)ethoxy)pyrrolidin-3-yl)methyl)-4-methylpyridin-2-amine 分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-{[(3R,4R)-4-(2-{[(2S)-1-(3-fluorophenyl)propan-2-yl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine, ACETATE ION, ... 著者 Li, H, Delker, S.L, Poulos, T.L. 登録日 2011-04-28 公開日 2012-05-02 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Cyclopropyl- and methyl-containing inhibitors of neuronal nitric oxide synthase. Bioorg.Med.Chem., 21, 2013
3RSQ	Crystal structure of tm0922, a fusion of a domain of unknown function and ADP/ATP-dependent NAD(P)H-hydrate dehydratase from Thermotoga maritima soaked with NADH 分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, BETA-6-HYDROXY-1,4,5,6-TETRHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, POTASSIUM ION, ... 著者 Shumilin, I.A, Cymborowski, M, Lesley, S.A, Minor, W. 登録日 2011-05-02 公開日 2011-06-22 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.054 Å) 主引用文献 Identification of unknown protein function using metabolite cocktail screening. Structure, 20, 2012
3RWP	Discovery of a Novel, Potent and Selective Inhibitor of 3-Phosphoinositide Dependent Kinase (PDK1) 分子名称: 3-phosphoinositide-dependent protein kinase 1, GLYCEROL, SULFATE ION, ... 著者 Greasley, S.E, Hickey, M, Ferre, R.-A, Krauss, M, Cronin, C. 登録日 2011-05-09 公開日 2011-11-16 最終更新日 2017-11-08 実験手法 X-RAY DIFFRACTION (1.92 Å) 主引用文献 Discovery of Novel, Potent, and Selective Inhibitors of 3-Phosphoinositide-Dependent Kinase (PDK1). J.Med.Chem., 54, 2011
7N1A	SARS-CoV-2 YLQ peptide binds to HLA-A2 分子名称: Beta-2-microglobulin, MHC class I antigen, A-2 alpha chain, ... 著者 Wu, D, Mariuzza, R.A. 登録日 2021-05-27 公開日 2021-07-28 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.065 Å) 主引用文献 Structural assessment of HLA-A2-restricted SARS-CoV-2 spike epitopes recognized by public and private T-cell receptors. Nat Commun, 13, 2022
5AVW	Kinetics by X-ray crystallography: Tl+-substitution of bound K+ in the E2.MgF42-.2K+ crystal after 16.5 min 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL, ... 著者 Ogawa, H, Cornelius, F, Hirata, A, Toyoshima, C. 登録日 2015-07-01 公開日 2015-09-02 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Sequential substitution of K(+) bound to Na(+),K(+)-ATPase visualized by X-ray crystallography. Nat Commun, 6, 2015
5AW8	Kinetics by X-ray crystallography: E2.MgF42-.2RB+ crystal 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL, ... 著者 Ogawa, H, Cornelius, F, Hirata, A, Toyoshima, C. 登録日 2015-07-01 公開日 2015-09-02 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 Sequential substitution of K(+) bound to Na(+),K(+)-ATPase visualized by X-ray crystallography. Nat Commun, 6, 2015
4GTO	FTase in complex with BMS analogue 14 分子名称: 4-({(3R)-7-cyano-4-[(4-methoxyphenyl)sulfonyl]-1-[(1-methyl-1H-imidazol-5-yl)methyl]-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl}methyl)phenyl trifluoromethanesulfonate, DIMETHYL SULFOXIDE, FARNESYL DIPHOSPHATE, ... 著者 Guo, Z, Stigter, E.A, Bon, R.S, Waldmann, H, Blankenfeldt, W, Goody, R.S. 登録日 2012-08-29 公開日 2012-10-24 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.15 Å) 主引用文献 Development of Selective, Potent RabGGTase Inhibitors J.Med.Chem., 55, 2012

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