PDB: 245663 件ウェブページステータス検索Chemie searchBIRD

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3NUF	Crystal structure of a PRD-containing transcription regulator (LSEI_2718) from Lactobacillus casei ATCC 334 at 1.38 A resolution 分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, PRD-containing transcription regulator, ... 著者 Joint Center for Structural Genomics (JCSG) 登録日 2010-07-06 公開日 2010-09-08 最終更新日 2024-11-06 実験手法 X-RAY DIFFRACTION (1.38 Å) 主引用文献 Crystal structure of a PRD-containing transcription regulator (LSEI_2718) from Lactobacillus casei ATCC 334 at 1.38 A resolution To be published
5E2B	Crystal structure of NTMT1 in complex with N-terminally methylated PPKRIA peptide 分子名称: GLYCEROL, N-terminal Xaa-Pro-Lys N-methyltransferase 1, RCC1, ... 著者 Dong, C, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) 登録日 2015-09-30 公開日 2015-10-28 最終更新日 2025-04-02 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Structural basis for substrate recognition by the human N-terminal methyltransferase 1. Genes Dev., 29, 2015
3KQT	Crystal Structure of hPNMT in Complex AdoHcy and 2-Amino-1-methylbenzimidazole 分子名称: 1-methyl-1H-benzimidazol-2-amine, Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE 著者 Drinkwater, N, Martin, J.L. 登録日 2009-11-17 公開日 2010-09-29 最終更新日 2024-10-09 実験手法 X-RAY DIFFRACTION (2.399 Å) 主引用文献 Fragment-based screening by X-ray crystallography, MS and isothermal titration calorimetry to identify PNMT (phenylethanolamine N-methyltransferase) inhibitors. Biochem.J., 431, 2010
5Y12	Crystal structure of human FABP4 complexed with ligand 5-((4-methoxynaphthalene)-1-sulfonamido)pentanoic acid 分子名称: 5-[(4-methoxynaphthalen-1-yl)sulfonylamino]pentanoic acid, Fatty acid-binding protein, adipocyte 著者 Su, H.X, Liu, Q.F, Xu, Y.C. 登録日 2017-07-19 公開日 2018-06-06 最終更新日 2024-03-27 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 From hit to lead: Structure-based discovery of naphthalene-1-sulfonamide derivatives as potent and selective inhibitors of fatty acid binding protein 4 Eur J Med Chem, 154, 2018
9OGT	HIV-1 Env BG505 SOSIP.664-His in complex with PGT122 and 3BNC117 Fabs 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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... 著者 Andrade, T.G, Ozorowski, G, Ward, A.B. 登録日 2025-05-01 公開日 2025-08-27 最終更新日 2025-10-08 実験手法 ELECTRON MICROSCOPY (3 Å) 主引用文献 A modification to heptad repeat 1 of gp41 improves yield and/or quality of soluble pre-fusion HIV-1 envelope glycoprotein trimers. J.Virol., 99, 2025
4PQ9	Crystal Structure of a Beta-1,3-glucanase from Mycobacterium marinum 分子名称: 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta-1,3-glucanase, ... 著者 Seattle Structural Genomics Center for Infectious Disease (SSGCID) 登録日 2014-02-28 公開日 2014-03-12 最終更新日 2025-10-22 実験手法 X-RAY DIFFRACTION (1.2 Å) 主引用文献 Crystal Structure of a Beta-1,3-glucanase from Mycobacterium marinum TO BE PUBLISHED
3WUB	The wild type crystal structure of b-1,4-Xylanase (XynAS9) from Streptomyces sp. 9 分子名称: Endo-1,4-beta-xylanase A, ZINC ION 著者 Chen, C.C, Han, X, Lv, P, Ko, T.P, Peng, W, Huang, C.H, Zheng, Y, Gao, J, Yang, Y.Y, Guo, R.T. 登録日 2014-04-23 公開日 2014-10-29 最終更新日 2024-10-30 実験手法 X-RAY DIFFRACTION (2.08 Å) 主引用文献 Structural perspectives of an engineered beta-1,4-xylanase with enhanced thermostability. J.Biotechnol., 189C, 2014
5AV4	Crystal structure of DAPK1-genistein complex in the presence of bromide ions. 分子名称: BROMIDE ION, Death-associated protein kinase 1, GENISTEIN 著者 Yokoyama, T, Mizuguchi, M. 登録日 2015-06-10 公開日 2015-10-07 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (1.4 Å) 主引用文献 Structural Insight into the Interactions between Death-Associated Protein Kinase 1 and Natural Flavonoids. J.Med.Chem., 58, 2015
5B25	Crystal structure of human PDE1B with inhibitor 3 分子名称: (11R,15S)-4-{[4-(6-fluoropyridin-2-yl)phenyl]methyl}-8-methyl-5-(phenylamino)-1,3,4,8,10-pentaazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one, Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B, GLYCEROL, ... 著者 Ida, K, Lane, W, Snell, G, Sogabe, S. 登録日 2016-01-07 公開日 2016-02-03 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Discovery of Potent and Selective Inhibitors of Phosphodiesterase 1 for the Treatment of Cognitive Impairment Associated with Neurodegenerative and Neuropsychiatric Diseases J.Med.Chem., 59, 2016
7VRE	The crystal structure of EGFR T790M/C797S with the inhibitor HCD2892 分子名称: 5-chloranyl-N-[5-chloranyl-2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-4-(1-ethylsulfonylindol-3-yl)pyrimidin-2-amine, Epidermal growth factor receptor 著者 Zhu, S.J. 登録日 2021-10-22 公開日 2022-06-08 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.507 Å) 主引用文献 Conformational Constrained 4-(1-Sulfonyl-3-indol)yl-2-phenylaminopyrimidine Derivatives as New Fourth-Generation Epidermal Growth Factor Receptor Inhibitors Targeting T790M/C797S Mutations. J.Med.Chem., 65, 2022
6CKX	Structure of CDK12/CycK in complex with a small molecule inhibitor N-(4-(1-methyl-1H-pyrazol-4-yl)phenyl)-N-((1r,4r)-4-(quinazolin-2-ylamino)cyclohexyl)acetamide 分子名称: Cyclin-K, Cyclin-dependent kinase 12, MAGNESIUM ION, ... 著者 Klein, M.G. 登録日 2018-03-01 公開日 2018-08-29 最終更新日 2024-11-06 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 Discovery of 3-Benzyl-1-( trans-4-((5-cyanopyridin-2-yl)amino)cyclohexyl)-1-arylurea Derivatives as Novel and Selective Cyclin-Dependent Kinase 12 (CDK12) Inhibitors. J. Med. Chem., 61, 2018
5BQG	Crystal Structure of mPGES-1 Bound to an Inhibitor 分子名称: 2-chloro-N-(4-phenyl-1,3-thiazol-2-yl)benzamide, DI(HYDROXYETHYL)ETHER, GLUTATHIONE, ... 著者 Fisher, M.J, Schiffler, M.A, Kuklish, S.L, Antonysamy, S, Luz, J.G. 登録日 2015-05-29 公開日 2016-04-13 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.436 Å) 主引用文献 Discovery and Characterization of 2-Acylaminoimidazole Microsomal Prostaglandin E Synthase-1 Inhibitors. J.Med.Chem., 59, 2016
5YL5	Crystal structure of dodecameric Dehydroquinate dehydratase from Acinetobacter baumannii at 1.9A resolution 分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-dehydroquinate dehydratase, GLYCEROL, ... 著者 Iqbal, N, Kaur, P, Sharma, S, Singh, T.P. 登録日 2017-10-17 公開日 2017-11-01 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Crystal structure of dodecameric Dehydroquinate dehydratase from Acinetobacter baumannii at 1.9A resolution To Be Published
3TIH	Crystal structure of unliganded HIV-1 clade C strain ZM109F.PB4 gp120 core 分子名称: HIV-1 clade C ZM109F.PB4 gp120 著者 Kwon, Y.D, Kwong, P.D. 登録日 2011-08-20 公開日 2012-04-04 最終更新日 2024-11-06 実験手法 X-RAY DIFFRACTION (4 Å) 主引用文献 Unliganded HIV-1 gp120 core structures assume the CD4-bound conformation with regulation by quaternary interactions and variable loops. Proc.Natl.Acad.Sci.USA, 109, 2012
3HBK	Crystal structure of putative glycosyl hydrolase, was Domain of Unknown Function (DUF1080) (YP_001302580.1) from Parabacteroides distasonis ATCC 8503 at 2.36 A resolution 分子名称: 1,2-ETHANEDIOL, SULFATE ION, putative glycosyl hydrolase 著者 Joint Center for Structural Genomics (JCSG) 登録日 2009-05-04 公開日 2009-05-26 最終更新日 2024-11-06 実験手法 X-RAY DIFFRACTION (2.36 Å) 主引用文献 Crystal structure of putative glycosyl hydrolase, was Domain of Unknown Function (DUF1080) (YP_001302580.1) from Parabacteroides distasonis ATCC 8503 at 2.36 A resolution To be published
3DGT	The 1.5 A crystal structure of endo-1,3-beta-glucanase from Streptomyces sioyaensis 分子名称: Endo-1,3-beta-glucanase, MAGNESIUM ION 著者 Li, T.H. 登録日 2008-06-16 公開日 2008-09-02 最終更新日 2024-11-13 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 The 1.5 A structure of endo-1,3-beta-glucanase from Streptomyces sioyaensis: evolution of the active-site structure for 1,3-beta-glucan-binding specificity and hydrolysis Acta Crystallogr.,Sect.D, 64, 2008
3LQB	Crystal structure of the hatching enzyme ZHE1 from the zebrafish Danio rerio 分子名称: 1,2-ETHANEDIOL, LOC792177 protein, SULFATE ION, ... 著者 Tanokura, M, Okada, A, Nagata, K, Yasumasu, S, Ohtsuka, J, Iuchi, I. 登録日 2010-02-08 公開日 2010-09-08 最終更新日 2024-10-30 実験手法 X-RAY DIFFRACTION (1.1 Å) 主引用文献 Crystal structure of zebrafish hatching enzyme 1 from the zebrafish Danio rerio J.Mol.Biol., 402, 2010
7A4P	Structure of small high-light grown Chlorella ohadii photosystem I 分子名称: (1~{S})-3,5,5-trimethyl-4-[(1~{E},3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-[(4~{S})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-ol, (2S)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl hexadecanoate, (3R)-beta,beta-caroten-3-ol, ... 著者 Caspy, I, Nelson, N, Nechushtai, R, Shkolnisky, Y, Neumann, E. 登録日 2020-08-20 公開日 2021-07-28 最終更新日 2025-01-29 実験手法 ELECTRON MICROSCOPY (4.2 Å) 主引用文献 Cryo-EM photosystem I structure reveals adaptation mechanisms to extreme high light in Chlorella ohadii. Nat.Plants, 7, 2021
3TKG	crystal structure of HIV model protease precursor/saquinavir complex 分子名称: (2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide, CHLORIDE ION, GLYCEROL, ... 著者 Agniswamy, J, Sayer, J, Weber, I, Louis, J. 登録日 2011-08-26 公開日 2012-04-25 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.36 Å) 主引用文献 Terminal interface conformations modulate dimer stability prior to amino terminal autoprocessing of HIV-1 protease. Biochemistry, 51, 2012
5F20	Structure of TYK2 with inhibitor 4: 3-azanyl-5-(2-methylphenyl)-7-(1-methylpyrazol-3-yl)-1~{H}-pyrazolo[4,3-c]pyridin-4-one 分子名称: 3-azanyl-5-(2-methylphenyl)-7-(1-methylpyrazol-3-yl)-1~{H}-pyrazolo[4,3-c]pyridin-4-one, Non-receptor tyrosine-protein kinase TYK2 著者 Skene, R.J. 登録日 2015-12-01 公開日 2016-01-13 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (2.91 Å) 主引用文献 Structure-Based Design and Synthesis of 3-Amino-1,5-dihydro-4H-pyrazolopyridin-4-one Derivatives as Tyrosine Kinase 2 Inhibitors. J.Med.Chem., 59, 2016
5B5P	Crystal structure of the catalytic domain of MMP-13 complexed with 4-oxo-N-(3-(2-(1H-1,2,4-triazol-3-ylsulfanyl)ethoxy)benzyl)-3,4-dihydroquinazoline-2-carboxamide 分子名称: 4-oxo-N-{3-[2-(1H-1,2,4-triazol-3-ylsulfanyl)ethoxy]benzyl}-3,4-dihydroquinazoline-2-carboxamide, CALCIUM ION, Collagenase 3, ... 著者 Oki, H, Tanaka, Y. 登録日 2016-05-13 公開日 2017-01-18 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Discovery of Novel, Highly Potent, and Selective Matrix Metalloproteinase (MMP)-13 Inhibitors with a 1,2,4-Triazol-3-yl Moiety as a Zinc Binding Group Using a Structure-Based Design Approach J. Med. Chem., 60, 2017
4PXY	Crystal structure of a Putative thua-like protein (BACUNI_01602) from Bacteroides uniformis ATCC 8492 at 1.50 A resolution 分子名称: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, ... 著者 Joint Center for Structural Genomics (JCSG) 登録日 2014-03-25 公開日 2014-04-23 最終更新日 2024-11-27 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Crystal structure of a hypothetical protein (BACUNI_01602) from Bacteroides uniformis ATCC 8492 at 1.50 A resolution To be published
6DF4	TAF1-BD2 in complex with Cpd8 (6-(but-3-en-1-yl)-4-(3-(morpholine-4-carbonyl)phenyl)-1,6-dihydro-7H-pyrrolo[2,3-c]pyridin-7-one) 分子名称: 6-(but-3-en-1-yl)-4-[3-(morpholine-4-carbonyl)phenyl]-1,6-dihydro-7H-pyrrolo[2,3-c]pyridin-7-one, Transcription initiation factor TFIID subunit 著者 Murray, J.M, Tang, Y. 登録日 2018-05-14 公開日 2018-10-31 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.3 Å) 主引用文献 GNE-371, a Potent and Selective Chemical Probe for the Second Bromodomains of Human Transcription-Initiation-Factor TFIID Subunit 1 and Transcription-Initiation-Factor TFIID Subunit 1-like. J. Med. Chem., 61, 2018
4Q7P	Crystal Structure of 1-hydroxy-3-methylpyridine-2(1H)-thione bound to hCAII 分子名称: 1-hydroxy-3-methylpyridine-2(1H)-thione, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... 著者 Martin, D.P, Cohen, S.M. 登録日 2014-04-25 公開日 2015-03-11 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.65 Å) 主引用文献 Exploring the influence of the protein environment on metal-binding pharmacophores. J.Med.Chem., 57, 2014
4Q87	Crystal structure of 1-hydroxy-4-(trifluoromethyl)pyridine-2(1H)-thione bound to human carbonic anhydrase II 分子名称: 1-hydroxy-4-(trifluoromethyl)pyridine-2(1H)-thione, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... 著者 Martin, D.P, Cohen, S.M. 登録日 2014-04-25 公開日 2015-03-11 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.55 Å) 主引用文献 Exploring the influence of the protein environment on metal-binding pharmacophores. J.Med.Chem., 57, 2014

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