PDB: 245011 件ウェブページステータス検索Chemie searchBIRD

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5TRF	MDM2 in complex with SAR405838 分子名称: (2'S,3R,4'S,5'R)-6-chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-N-(trans-4-hydroxycyclohexyl)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxamide, E3 ubiquitin-protein ligase Mdm2, GLYCEROL, ... 著者 Meagher, J.L, Stuckey, J.A. 登録日 2016-10-26 公開日 2016-11-09 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 SAR405838: an optimized inhibitor of MDM2-p53 interaction that induces complete and durable tumor regression. Cancer Res., 74, 2014
7L82	x-ray structure of the psychrobacter cryohalolentis Pcryo_0637 N-acetyltransferase in the presene of its reaction tetrahedral intermediate 分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Putative acetyl transferase protein, ... 著者 Linehan, M.P, Thoden, J.B, Holden, H.M. 登録日 2020-12-30 公開日 2021-03-03 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.4 Å) 主引用文献 Characterization of two enzymes from Psychrobacter cryohalolentis that are required for the biosynthesis of an unusual diacetamido-d-sugar. J.Biol.Chem., 296, 2021
4CJQ	Interrogating HIV integrase for compounds that bind- a SAMPL challenge 分子名称: 5-[(2S)-2-[[2-(1H-indol-3-yl)ethanoylamino]methyl]-4-methyl-pentyl]-1,3-benzodioxole-4-carboxylic acid, ACETATE ION, INTEGRASE, ... 著者 Peat, T.S. 登録日 2013-12-22 公開日 2014-01-08 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Interrogating HIV Integrase for Compounds that Bind- a Sampl Challenge. J.Comput.Aided Mol.Des., 28, 2014
7FBT	Crystal structure of chitinase (RmChi1) from Rhizomucor miehei (sp p32 2 1, MR) 分子名称: Chitinase, MAGNESIUM ION 著者 Jiang, Z.Q, Hu, S.Q, Zhu, Q, Liu, Y.C, Ma, J.W, Yan, Q.J, Gao, Y.G, Yang, S.Q. 登録日 2021-07-12 公開日 2021-08-11 最終更新日 2024-10-30 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Crystal structure of a chitinase (RmChiA) from the thermophilic fungus Rhizomucor miehei with a real active site tunnel. Biochim Biophys Acta Proteins Proteom, 1869, 2021
4CJ0	Crystal structure of CelD in complex with affitin E12 分子名称: CALCIUM ION, E12 AFFITIN, ENDOGLUCANASE D, ... 著者 Correa, A, Pacheco, S, Mechaly, A.E, Obal, G, Behar, G, Mouratou, B, Oppezzo, P, Alzari, P.M, Pecorari, F. 登録日 2013-12-18 公開日 2014-05-21 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.1 Å) 主引用文献 Potent and Specific Inhibition of Glycosidases by Small Artificial Binding Proteins (Affitins) Plos One, 9, 2014
5X28	Crystal structure of EGFR 696-1022 L858R in complex with SKLB(6) 分子名称: 9-cyclohexyl-N2-[4-(4-methylpiperazin-1-yl)phenyl]-N8-phenyl-purine-2,8-diamine, CHLORIDE ION, Epidermal growth factor receptor 著者 Yun, C.H. 登録日 2017-01-31 公開日 2018-02-07 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (2.952 Å) 主引用文献 Structural insights into drug development strategy targeting EGFR T790M/C797S. Oncotarget, 9, 2018
5U5P	Crystal Structure and X-ray Diffraction Data Collection of Importin-alpha from Mus Musculus Complexed with a MLH1 NLS Peptide 分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, DNA mismatch repair protein Mlh1, Importin subunit alpha-1 著者 Barros, A.C, Takeda, A.A, Dreyer, T.R, Velazquez-Campoy, A, Kobe, B, Fontes, M.R. 登録日 2016-12-07 公開日 2018-03-14 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.171 Å) 主引用文献 DNA mismatch repair proteins MLH1 and PMS2 can be imported to the nucleus by a classical nuclear import pathway. Biochimie, 146, 2018
3EAX	Crystal structure PTP1B complex with small molecule compound LZP-6 分子名称: 4,4'-piperazine-1,4-diylbis{1-[3-(benzyloxy)phenyl]-4-oxobutane-1,3-dione}, Tyrosine-protein phosphatase non-receptor type 1 著者 Zhang, Z.-Y, Liu, S, Zhang, L.-F, Yu, X, Xue, T, Gunawan, A.M, Long, Y.-Q. 登録日 2008-08-26 公開日 2009-07-07 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Targeting inactive enzyme conformation: aryl diketoacid derivatives as a new class of PTP1B inhibitors. J.Am.Chem.Soc., 130, 2008
5U7D	PDE2 catalytic domain complexed with inhibitors 分子名称: 2-(3,4-dimethoxybenzyl)-7-[(2R,3R)-2-hydroxy-6-phenylhexan-3-yl]-5-methylimidazo[5,1-f][1,2,4]triazin-4(3H)-one, MAGNESIUM ION, ZINC ION, ... 著者 Pandit, J, Parris, K. 登録日 2016-12-12 公開日 2017-06-28 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 Application of Structure-Based Design and Parallel Chemistry to Identify a Potent, Selective, and Brain Penetrant Phosphodiesterase 2A Inhibitor. J. Med. Chem., 60, 2017
4CJ1	Crystal structure of CelD in complex with affitin H3 分子名称: CALCIUM ION, ENDOGLUCANASE D, GLYCEROL, ... 著者 Correa, A, Pacheco, S, Mechaly, A.E, Obal, G, Behar, G, Mouratou, B, Oppezzo, P, Alzari, P.M, Pecorari, F. 登録日 2013-12-18 公開日 2014-05-21 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.63 Å) 主引用文献 Potent and Specific Inhibition of Glycosidases by Small Artificial Binding Proteins (Affitins) Plos One, 9, 2014
4CJU	Interrogating HIV integrase for compounds that bind- a SAMPL challenge 分子名称: 5-[(Z)-2-phenylethenyl]-1,3-benzodioxole-4-carboxylic acid, ACETATE ION, INTEGRASE, ... 著者 Peat, T.S. 登録日 2013-12-23 公開日 2014-01-22 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Interrogating HIV Integrase for Compounds that Bind- a Sampl Challenge. J.Comput.Aided Mol.Des., 28, 2014
4CKW	Structure of the Mycobacterium tuberculosis Type II Dehydroquinase N12S mutant (Crystal Form 1) 分子名称: 3-DEHYDROQUINATE DEHYDRATASE, GLYCEROL 著者 Otero, J.M, Llamas-Saiz, A.L, Maneiro, M, Peon, A, Sedes, A, Lamb, H, Hawkins, A.R, Gonzalez-Bello, C, van Raaij, M.J. 登録日 2014-01-10 公開日 2015-03-25 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 Investigation of the Dehydratation Mechanism Catalyzed by the Type II Dehydroquinase To be Published
5UAB	MET Tyrosine Kinase Inhibition Enhances the Antitumor Efficacy of an HGF Antibody 分子名称: CHLORIDE ION, GLYCEROL, Hepatocyte growth factor receptor, ... 著者 Hoffman, I.D, Lawson, J.D. 登録日 2016-12-19 公開日 2017-05-31 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 MET Tyrosine Kinase Inhibition Enhances the Antitumor Efficacy of an HGF Antibody. Mol. Cancer Ther., 16, 2017
3EB4	Voltage-dependent K+ channel beta subunit (I211R) in complex with cortisone 分子名称: 17,21-DIHYDROXYPREGNA-1,4-DIENE-3,11,20-TRIONE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Voltage-gated potassium channel subunit beta-2 著者 Pan, Y, Weng, J, Kabaleeswaran, V, Li, H, Cao, Y, Bhosle, R.C, Zhou, M. 登録日 2008-08-26 公開日 2008-09-23 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Cortisone dissociates the Shaker family K+ channels from their beta subunits. Nat.Chem.Biol., 4, 2008
2Y7C	Atomic model of the Ocr-bound methylase complex from the Type I restriction-modification enzyme EcoKI (M2S1). Based on fitting into EM map 1534. 分子名称: GENE 0.3 PROTEIN, TYPE I RESTRICTION ENZYME ECOKI M PROTEIN, TYPE-1 RESTRICTION ENZYME ECOKI SPECIFICITY PROTEIN 著者 Kennaway, C.K, Obarska-Kosinska, A, White, J.H, Tuszynska, I, Cooper, L.P, Bujnicki, J.M, Trinick, J, Dryden, D.T.F. 登録日 2011-01-31 公開日 2011-02-09 最終更新日 2024-05-08 実験手法 ELECTRON MICROSCOPY (18 Å) 主引用文献 The Structure of M.Ecoki Type I DNA Methyltransferase with a DNA Mimic Antirestriction Protein. Nucleic Acids Res., 37, 2009
5WBZ	Structure of human Ketohexokinase complexed with hits from fragment screening 分子名称: 6-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-2-[(3S)-3-hydroxy-3-methylpyrrolidin-1-yl]-4-(trifluoromethyl)pyridine-3-carbonitrile, CITRIC ACID, Ketohexokinase, ... 著者 Pandit, J. 登録日 2017-06-29 公開日 2017-09-13 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Discovery of Fragment-Derived Small Molecules for in Vivo Inhibition of Ketohexokinase (KHK). J. Med. Chem., 60, 2017
5TQ6	Design and Synthesis of a pan-JAK Kinase Inhibitor Clinical Candidate (PF-06263276) Suitable for Inhaled and Topical Delivery for the Treatment of Inflammatory Diseases of the Lungs and Skin 分子名称: Tyrosine-protein kinase JAK2, {(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}(pyrrolidin-1-yl)methanone 著者 Chrencik, J, Jones, P. 登録日 2016-10-23 公開日 2017-01-11 最終更新日 2024-10-09 実験手法 X-RAY DIFFRACTION (2.06 Å) 主引用文献 Design and Synthesis of a Pan-Janus Kinase Inhibitor Clinical Candidate (PF-06263276) Suitable for Inhaled and Topical Delivery for the Treatment of Inflammatory Diseases of the Lungs and Skin. J. Med. Chem., 60, 2017
5C2A	PDE10 complexed with 6-chloro-2-cyclopropyl-N-[(2,4-dimethylthiazol-5-yl)methyl]-5-methyl-pyrimidin-4-amine 分子名称: 6-chloro-2-cyclopropyl-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methylpyrimidin-4-amine, MAGNESIUM ION, ZINC ION, ... 著者 Yan, Y. 登録日 2015-06-15 公開日 2015-09-30 最終更新日 2024-10-16 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Discovery and Optimization of a Series of Pyrimidine-Based Phosphodiesterase 10A (PDE10A) Inhibitors through Fragment Screening, Structure-Based Design, and Parallel Synthesis. J.Med.Chem., 58, 2015
3IXL	Crystal structure of the Gly74Cys-Cys188Ser mutant of arylmalonate decarboxylase in the liganded form 分子名称: 2-PHENYLACETIC ACID, Arylmalonate decarboxylase, GLYCEROL, ... 著者 Nakasako, M, Obata, R. 登録日 2009-09-04 公開日 2010-02-23 最終更新日 2024-10-09 実験手法 X-RAY DIFFRACTION (1.45 Å) 主引用文献 Structural Basis for Inverting the Enantioselectivity of Arylmalonate Decarboxylase Revealed by the Structural Analysis of the Gly74Cys/Cys188Ser Mutant in the Liganded Form Biochemistry, 49, 2010
5UFE	Wild-type K-Ras(GNP)/R11.1.6 complex 分子名称: CADMIUM ION, CALCIUM ION, CHLORIDE ION, ... 著者 Parker, J.A, Mattos, C. 登録日 2017-01-04 公開日 2017-08-02 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.302 Å) 主引用文献 An engineered protein antagonist of K-Ras/B-Raf interaction. Sci Rep, 7, 2017
3S0O	CDK2 in complex with inhibitor RC-1-138 分子名称: Cyclin-dependent kinase 2, [4-amino-2-(prop-2-en-1-ylamino)-1,3-thiazol-5-yl](pyridin-2-yl)methanone 著者 Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E. 登録日 2011-05-13 公開日 2012-10-31 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases. J.Med.Chem., 56, 2013
4I4F	Structure of Focal Adhesion Kinase catalytic domain in complex with an allosteric binding pyrazolobenzothiazine compound. 分子名称: Focal adhesion kinase 1, ISOPROPYL ALCOHOL, N-(4-tert-butylbenzyl)-1,5-dimethyl-1,5-dihydropyrazolo[4,3-c][2,1]benzothiazin-8-amine 4,4-dioxide 著者 Skene, R.J, Hosfield, D.J. 登録日 2012-11-27 公開日 2013-02-06 最終更新日 2024-11-06 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 Structure-based discovery of cellular-active allosteric inhibitors of FAK. Bioorg.Med.Chem.Lett., 23, 2013
6UDR	S2 symmetric peptide design number 3 crystal form 1, Lurch 分子名称: S2-3, Lurch crystal form 1 著者 Mulligan, V.K, Kang, C.S, Antselovich, I, Sawaya, M.R, Yeates, T.O, Baker, D. 登録日 2019-09-19 公開日 2020-09-23 最終更新日 2024-11-13 実験手法 X-RAY DIFFRACTION (1 Å) 主引用文献 Computational design of mixed chirality peptide macrocycles with internal symmetry. Protein Sci., 29, 2020
4I6I	Crystal structure of rabbit ryanodine receptor 1 (residues 1-559) disease mutant R45C 分子名称: Ryanodine receptor 1 著者 Kimlicka, L, Van Petegem, F. 登録日 2012-11-29 公開日 2013-02-20 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Disease mutations in the ryanodine receptor N-terminal region couple to a mobile intersubunit interface. Nat Commun, 4, 2013
3GT9	Structure of an ML-IAP/XIAP chimera bound to a peptidomimetic 分子名称: Baculoviral IAP repeat-containing 7, N-{(1S)-1-cyclohexyl-2-[(2S)-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl}-N~2~-methyl-L-alaninamide, ZINC ION 著者 Franklin, M.C, Fairbrother, W.J, Cohen, F. 登録日 2009-03-27 公開日 2010-03-09 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Antagonists of inhibitor of apoptosis proteins based on thiazole amide isosteres. Bioorg.Med.Chem.Lett., 20, 2010

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