PDB: 55698 件ウェブページステータス検索Chemie searchBIRD

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4BKZ	Crystal structure of unphosphorylated Maternal Embryonic Leucine zipper Kinase (MELK) in complex with a benzodipyrazole inhibitor 分子名称: MATERNAL EMBRYONIC LEUCINE ZIPPER KINASE, N-(3-aminopropyl)-8-[(3-fluorophenyl)amino]-2,4,5,7-tetrahydropyrazolo[3,4-e]indazole-3-carboxamide 著者 Canevari, G, Re Depaolini, S, Cucchi, U, Forte, B, Carpinelli, P, Bertrand, J.A. 登録日 2013-04-30 公開日 2013-08-21 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Structural Insight Into Maternal Embryonic Leucine Zipper Kinase (Melk) Conformation and Inhibition Towards Structure- Based Drug Design. Biochemistry, 52, 2013
3CBS	CELLULAR RETINOIC ACID BINDING PROTEIN II IN COMPLEX WITH A SYNTHETIC RETINOIC ACID (RO-12 7310) 分子名称: (2E,4E,6E,8E)-9-(4-hydroxy-2,3,6-trimethylphenyl)-3,7-dimethylnona-2,4,6,8-tetraenoic acid, PROTEIN (CRABP-II) 著者 Chaudhuri, B, Kleywegt, G.J, Bergfors, T, Jones, T.A. 登録日 1999-02-22 公開日 1999-12-22 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Structures of cellular retinoic acid binding proteins I and II in complex with synthetic retinoids. Acta Crystallogr.,Sect.D, 55, 1999
3PNE	Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-(((3R,4R)-4-(2-((2,2-Difluoro-2-(3-chlorophenyl)ethyl)amino)ethoxy)pyrrolidin-3-yl)methyl)-4-methylpyridin-2-amine 分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-{[(3R,4R)-4-(2-{[2-(3-chlorophenyl)-2,2-difluoroethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine, ACETATE ION, ... 著者 Li, H, Delker, S, Poulos, T.L. 登録日 2010-11-18 公開日 2011-11-02 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (1.97 Å) 主引用文献 Improved synthesis of chiral pyrrolidine inhibitors and their binding properties to neuronal nitric oxide synthase. J.Med.Chem., 54, 2011
4Z7N	Integrin alphaIIbbeta3 in complex with AGDV peptide 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, CALCIUM ION, ... 著者 Lin, F.-Y, Zhu, J, Springer, T.A. 登録日 2015-04-07 公開日 2015-12-16 最終更新日 2020-07-29 実験手法 X-RAY DIFFRACTION (2.599 Å) 主引用文献 beta-Subunit Binding Is Sufficient for Ligands to Open the Integrin alpha IIb beta 3 Headpiece. J.Biol.Chem., 291, 2016
3T7X	Endothiapepsin in complex with an inhibitor based on the Gewald reaction 分子名称: ACETATE ION, Endothiapepsin, GLYCEROL, ... 著者 Koester, H, Heine, A, Klebe, G. 登録日 2011-07-31 公開日 2012-08-01 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.27 Å) 主引用文献 Endothiapepsin in complex with an inhibitor based on the Gewald reaction To be Published
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
3NLQ	Structure of neuronal nitric oxide synthase D597N/M336V mutant heme domain in complex with 6-{{(3'R,4'R)-3'-[2"-(3'''-fluorophenethylamino)ethoxy]pyrrolidin-4'-yl}methyl}-4-methylpyridin-2-amine 分子名称: 1,2-ETHANEDIOL, 5,6,7,8-TETRAHYDROBIOPTERIN, 6-{[(3R,4R)-4-(2-{[2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine, ... 著者 Li, H, Delker, S.L, Poulos, T.L. 登録日 2010-06-21 公開日 2010-11-03 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2.15 Å) 主引用文献 Exploration of the Active Site of Neuronal Nitric Oxide Synthase by the Design and Synthesis of Pyrrolidinomethyl 2-Aminopyridine Derivatives. J.Med.Chem., 53, 2010
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
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
3SVQ	Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-(((3R,4R)-4-(2-((2,2-Difluoro-2-(2,3-difluorophenyl)ethyl)amino)ethoxy)pyrrolidin-3-yl)methyl)-4-methylpyridin-2-amine 分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-{[(3R,4R)-4-(2-{[2-(2,3-difluorophenyl)-2,2-difluoroethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine, ACETATE ION, ... 著者 Li, H, Poulos, T.L. 登録日 2011-07-12 公開日 2011-09-28 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.18 Å) 主引用文献 Improved Synthesis of Chiral Pyrrolidine Inhibitors and Their Binding Properties to Neuronal Nitric Oxide Synthase. J.Med.Chem., 54, 2011
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
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
4MUT	Crystal structure of vancomycin resistance D,D-dipeptidase/D,D-pentapeptidase VanXYc D59S mutant in complex with D-Alanine 分子名称: 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, CHLORIDE ION, D,D-dipeptidase/D,D-carboxypeptidase, ... 著者 Stogios, P.J, Evdokimova, E, Meziane-Cherif, D, Di Leo, R, Yim, V, Courvalin, P, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) 登録日 2013-09-23 公開日 2013-10-09 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.25 Å) 主引用文献 Structural basis for the evolution of vancomycin resistance D,D-peptidases. Proc.Natl.Acad.Sci.USA, 111, 2014
2XX2	Macrolactone Inhibitor bound to HSP90 N-term 分子名称: (5E)-13-CHLORO-14,16-DIHYDROXY-3,4,7,8,9,10-HEXAHYDRO-2-BENZAZACYCLOTETRADECINE-1,11(2H,12H)-DIONE, ATP-DEPENDENT MOLECULAR CHAPERONE HSP82, GLYCEROL 著者 Moody, C.J, Prodromou, C, Pearl, L.H, Roe, S.M. 登録日 2010-11-08 公開日 2011-11-16 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 Targeting the Hsp90 Molecular Chaperone with Novel Macrolactams. Synthesis, Structural, Binding, and Cellular Studies. Acs Chem.Biol., 6, 2011
4E90	Human phosphodiesterase 9 in complex with inhibitors 分子名称: 6-[(3S,4S)-4-methyl-1-(pyrimidin-2-ylmethyl)pyrrolidin-3-yl]-1-(tetrahydro-2H-pyran-4-yl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, MAGNESIUM ION, ... 著者 Liu, S. 登録日 2012-03-20 公開日 2013-02-27 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Application of structure-based drug design and parallel chemistry to identify selective, brain penetrant, in vivo active phosphodiesterase 9A inhibitors. J.Med.Chem., 55, 2012
3TEO	APO Form of carbon disulfide hydrolase (selenomethionine form) 分子名称: 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, CHLORIDE ION, Carbon disulfide hydrolase 著者 Smeulders, M.J, Barends, T.R.M.B, Pol, A, Scherer, A, Zandvoort, M.H, Udvarhelyi, A, Khadem, A, Menzel, A, Hermans, J, Shoeman, R.L, Wessels, H.J.C.T, van den Heuvel, L.P, Russ, L, Schlichting, I, Jetten, M.S.M, Op den Camp, H.J.M. 登録日 2011-08-15 公開日 2011-10-19 最終更新日 2017-11-08 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Evolution of a new enzyme for carbon disulphide conversion by an acidothermophilic archaeon. Nature, 478, 2011
3PZ2	Crystal structure of RabGGTase(DELTA LRR; DELTA IG) in Complex with BMS3 and lipid substrate GGPP 分子名称: (3R)-3-benzyl-4-[(4-methoxyphenyl)sulfonyl]-1-[(1-methyl-1H-imidazol-5-yl)methyl]-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-7-carbonitrile, CALCIUM ION, GERANYLGERANYL DIPHOSPHATE, ... 著者 Guo, Z, Bon, R.S, Stigter, E.A, Waldmann, H, Alexandrov, K, Blankenfeldt, W, Goody, R.S. 登録日 2010-12-14 公開日 2011-05-11 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.35 Å) 主引用文献 Structure-Guided Development of Selective RabGGTase Inhibitors. Angew.Chem.Int.Ed.Engl., 50, 2011
3PZ1	Crystal structure of RabGGTase(DELTA LRR; DELTA IG) in Complex with BMS3 分子名称: (3R)-3-benzyl-4-[(4-methoxyphenyl)sulfonyl]-1-[(1-methyl-1H-imidazol-5-yl)methyl]-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-7-carbonitrile, CALCIUM ION, DIMETHYL SULFOXIDE, ... 著者 Guo, Z, Bon, R.S, Stigter, E.A, Waldmann, H, Alexandrov, K, Blankenfeldt, W, Goody, R.S. 登録日 2010-12-14 公開日 2011-05-11 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Structure-Guided Development of Selective RabGGTase Inhibitors. Angew.Chem.Int.Ed.Engl., 50, 2011
2ZI4	C4S dCK variant of dCK in complex with L-dA+ADP 分子名称: (2S,3R,5S)-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 (2.1 Å) 主引用文献 Structural basis for substrate promiscuity of dCK J.Mol.Biol., 378, 2008
4FAT	Ligand-binding domain of GluA2 (flip) ionotropic glutamate receptor in complex with an allosteric modulator 分子名称: 2-({[4-(hydroxymethyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, GLUTAMIC ACID, GLYCEROL, ... 著者 Maclean, J.K.F, Kazemier, B. 登録日 2012-05-22 公開日 2012-07-11 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.4 Å) 主引用文献 Functional analysis of a novel positive allosteric modulator of AMPA receptors derived from a structure-based drug design strategy. Neuropharmacology, 64, 2013
4F2A	Crystal structure of cholestryl esters transfer protein in complex with inhibitors 分子名称: (2R)-3-{[4-(4-chloro-3-ethylphenoxy)pyrimidin-2-yl][3-(1,1,2,2-tetrafluoroethoxy)benzyl]amino}-1,1,1-trifluoropropan-2-ol, 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CHLORIDE ION, ... 著者 Liu, S, Qiu, X. 登録日 2012-05-07 公開日 2012-09-05 最終更新日 2020-07-29 実験手法 X-RAY DIFFRACTION (3.11 Å) 主引用文献 Crystal structures of cholesteryl ester transfer protein in complex with inhibitors. J.Biol.Chem., 287, 2012
4F9Z	Crystal Structure of human ERp27 分子名称: 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, ACETATE ION, ... 著者 Kober, F.X, Koelmel, W, Kuper, J, Schindelin, H. 登録日 2012-05-21 公開日 2012-12-05 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 The Crystal Structure of the Protein-Disulfide Isomerase Family Member ERp27 Provides Insights into Its Substrate Binding Capabilities. J.Biol.Chem., 288, 2013
3TZR	Structure of a Riboswitch-like RNA-ligand complex from the Hepatitis C Virus Internal Ribosome Entry Site 分子名称: (8R)-8-[(dimethylamino)methyl]-1-[3-(dimethylamino)propyl]-1,7,8,9-tetrahydrochromeno[5,6-d]imidazol-2-amine, 5'-R(*CP*GP*AP*GP*GP*AP*AP*CP*UP*AP*CP*UP*GP*UP*CP*UP*UP*CP*CP*C)-3', 5'-R(*GP*GP*UP*CP*GP*UP*GP*CP*AP*GP*CP*CP*UP*CP*GP*G)-3', ... 著者 Dibrov, S.M, Ding, K, Brunn, N, Parker, M.A, Bergdahl, B.M, Wyles, D.L, Hermann, T. 登録日 2011-09-27 公開日 2012-03-21 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.212 Å) 主引用文献 Structure of a Riboswitch in the Hepatitis C Virus Internal Ribosome Entry Site To be Published
4O74	Crystal structure of the first bromodomain of human BRD4 in complex with BI 2536 分子名称: 1,2-ETHANEDIOL, 4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide, Bromodomain-containing protein 4, ... 著者 Ember, S.W, Zhu, J.-Y, Watts, C, Schonbrunn, E. 登録日 2013-12-24 公開日 2014-03-05 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.45 Å) 主引用文献 Acetyl-lysine Binding Site of Bromodomain-Containing Protein 4 (BRD4) Interacts with Diverse Kinase Inhibitors. Acs Chem.Biol., 9, 2014

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