PDB: 31311 件ウェブページステータス検索Chemie searchBIRD

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5UI3	Crystal structure of DHDPS from chlamydomonas reinhardtii 分子名称: 2-OXOGLUTARIC ACID, Dihydrodipicolinate synthase 著者 Watkin, S, Keown, J.R, Pearce, F.G. 登録日 2017-01-12 公開日 2018-01-17 最終更新日 2024-10-23 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Crystal structure of DHDPS from chlamydomonas reinhardtii To Be Published
8OQL	Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme in complex with Fragment-M-1 分子名称: 3-hydroxyacyl-CoA dehydrogenase, GLYCEROL, Hexafluorophosphate anion, ... 著者 Dalwani, S, Wierenga, R.K, Venkatesan, R. 登録日 2023-04-12 公開日 2024-01-24 最終更新日 2024-10-16 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 Crystallographic fragment-binding studies of the Mycobacterium tuberculosis trifunctional enzyme suggest binding pockets for the tails of the acyl-CoA substrates at its active sites and a potential substrate-channeling path between them. Acta Crystallogr D Struct Biol, 80, 2024
7N3U	Crystal structure of human WEE1 kinase domain in complex with ZN-c3 分子名称: 1-[(7R)-7-ethyl-7-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-6-[4-(4-methylpiperazin-1-yl)anilino]-2-(prop-2-en-1-yl)-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one, Wee1-like protein kinase 著者 Lee, C.C. 登録日 2021-06-02 公開日 2021-09-01 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.65 Å) 主引用文献 Discovery of ZN-c3, a Highly Potent and Selective Wee1 Inhibitor Undergoing Evaluation in Clinical Trials for the Treatment of Cancer. J.Med.Chem., 64, 2021
5CS8	Crystal Structure of the first bromodomain of human BRD4 in complex with benzo[cd]indol-2(1H)-one ligand 分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, GLYCEROL, ... 著者 Zhang, Y, Song, M, Liu, Z, Xue, X, Xu, Y. 登録日 2015-07-23 公開日 2016-01-13 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (1.62 Å) 主引用文献 Discovery of Benzo[cd]indol-2(1H)-ones as Potent and Specific BET Bromodomain Inhibitors: Structure-Based Virtual Screening, Optimization, and Biological Evaluation J.Med.Chem., 59, 2016
7VQC	Structure of MA1831 from Methanosarcina acetivorans in complex with pyrophosphate 分子名称: Di-trans-poly-cis-decaprenylcistransferase, PYROPHOSPHATE 2-, SULFATE ION 著者 Zhang, L.L, Chen, C.C, Liu, W.D, Huang, J.W, Zhang, X.W, Liu, B.B, Guo, R.T. 登録日 2021-10-19 公開日 2022-08-31 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.45 Å) 主引用文献 Structural insights to a bi-functional isoprenyl diphosphate synthase that can catalyze head-to-tail and head-to-middle condensation. Int.J.Biol.Macromol., 214, 2022
5HCY	EGFR kinase domain mutant "TMLR" with 3-carboxamide azaindole compound 13 分子名称: 6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]-~{N}-(oxan-4-yl)-1-propan-2-yl-pyrrolo[3,2-c]pyridine-3-carboxamide, Epidermal growth factor receptor, SULFATE ION 著者 Eigenbrot, C, Yu, C. 登録日 2016-01-04 公開日 2016-09-07 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (2.46 Å) 主引用文献 Discovery of a Noncovalent, Mutant-Selective Epidermal Growth Factor Receptor Inhibitor. J.Med.Chem., 59, 2016
8V37	Crystal structure of HpsN D352A mutant from Cupriavidus pinatubonensis in complex with NAD+ 分子名称: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Sulfopropanediol 3-dehydrogenase, ZINC ION 著者 Lee, M. 登録日 2023-11-27 公開日 2024-09-25 最終更新日 2024-10-09 実験手法 X-RAY DIFFRACTION (2.228 Å) 主引用文献 Structural and kinetic insights into the stereospecific oxidation of R -2,3-dihydroxypropanesulfonate by DHPS-3-dehydrogenase from Cupriavidus pinatubonensis. Chem Sci, 15, 2024
5CSV	Crystal Structure of CK2alpha with Compound 6 bound 分子名称: 3-AMINOBENZOIC ACID, ACETATE ION, Casein kinase II subunit alpha 著者 Brear, P, De Fusco, C, Georgiou, K.H, Spring, D, Hyvonen, M. 登録日 2015-07-23 公開日 2016-07-27 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.375 Å) 主引用文献 Specific inhibition of CK2 alpha from an anchor outside the active site. Chem Sci, 7, 2016
7VQ9	Structure of MA1831 from Methanosarcina acetivorans in complex with farnesyl thiopyrophosphate and isopentyl S-thiolodiphosphate 分子名称: 3-methylbut-3-enylsulfanyl(phosphonooxy)phosphinic acid, Di-trans-poly-cis-decaprenylcistransferase, MAGNESIUM ION, ... 著者 Zhang, L.L, Chen, C.C, Liu, W.D, Huang, J.W, Zhang, X.W, Liu, B.B, Guo, R.T. 登録日 2021-10-19 公開日 2022-08-31 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.89 Å) 主引用文献 Structural insights to a bi-functional isoprenyl diphosphate synthase that can catalyze head-to-tail and head-to-middle condensation. Int.J.Biol.Macromol., 214, 2022
8OTL	structure of InhA from Mycobacterium tuberculosis in complex with 5-(((4-(2-hydroxyphenoxy)benzyl)(octyl)amino)methyl)-2-phenoxyphenol 分子名称: 1,2-ETHANEDIOL, 5-[[octyl-[[4-(2-oxidanylphenoxy)phenyl]methyl]amino]methyl]-2-phenoxy-phenol, ACETATE ION, ... 著者 Tamhaev, R, Maveyraud, L, Chebaiki, M, Lherbet, C, Mourey, L. 登録日 2023-04-21 公開日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.108 Å) 主引用文献 Exploring the plasticity of the InhA substrate-binding site using new diaryl ether inhibitors. Bioorg.Chem., 143, 2023
7VCG	Thaumatin protected by alginate gel 分子名称: GLYCEROL, L(+)-TARTARIC ACID, Thaumatin I 著者 Muroyama, H, Tomoike, F, Nagae, T, Okada, T. 登録日 2021-09-03 公開日 2022-09-07 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.25 Å) 主引用文献 Post-crystallization protection of protein crystals to be published
8R20	X-ray crystallographic structure of KstA15, polyketide biosynthesis enzyme 分子名称: GLYCEROL, Hydroxylase 著者 Schnell, R, Schneider, G. 登録日 2023-11-02 公開日 2024-08-07 最終更新日 2024-08-14 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Mechanism of Two-Component Mono-Oxygenases Involved in Anthracycline 1-Hydroxylation Acs Catalysis, 2024
5UHO	Crystal structure of the core catalytic domain of human O-GlcNAcase complexed with PUGNAc 分子名称: O-(2-ACETAMIDO-2-DEOXY D-GLUCOPYRANOSYLIDENE) AMINO-N-PHENYLCARBAMATE, O-GlcNAcase TIM-barrel domain, O-GlcNAcase stalk domain 著者 Klein, D.J, Elsen, N.L. 登録日 2017-01-11 公開日 2017-03-29 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (3.21 Å) 主引用文献 Crystal structure of the core catalytic domain of human O-GlcNAcase and molecular basis of activity and inhibition To Be Published
5CQ3	Crystal structure of the bromodomain of bromodomain adjacent to zinc finger domain protein 2B (BAZ2B) in complex with 6-Hydroxypicolinic acid (SGC - Diamond I04-1 fragment screening) 分子名称: 1,2-ETHANEDIOL, 6-hydroxypyridine-2-carboxylic acid, Bromodomain adjacent to zinc finger domain protein 2B, ... 著者 Bradley, A, Pearce, N, Krojer, T, Ng, J, Talon, R, Vollmar, M, Jose, B, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Knapp, S, Structural Genomics Consortium (SGC) 登録日 2015-07-21 公開日 2015-09-09 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (1.925 Å) 主引用文献 Crystal structure of the second bromodomain of bromodomain adjancent to zinc finger domain protein 2B (BAZ2B) in complex with 6-Hydroxypicolinic acid (SGC - Diamond I04-1 fragment screening) To be published
5U8L	Crystal structure of EGFR kinase domain in complex with a sulfonyl fluoride probe XO44 分子名称: 4-[(4-{4-[(3-cyclopropyl-1H-pyrazol-5-yl)amino]-6-[(prop-2-yn-1-yl)carbamoyl]pyrimidin-2-yl}piperazin-1-yl)methyl]benzene-1-sulfonyl fluoride, Epidermal growth factor receptor, GLYCEROL, ... 著者 Gajiwala, K.S, Ferre, R. 登録日 2016-12-14 公開日 2017-01-25 最終更新日 2024-10-30 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Broad-Spectrum Kinase Profiling in Live Cells with Lysine-Targeted Sulfonyl Fluoride Probes. J. Am. Chem. Soc., 139, 2017
8OK9	Heterodimeric complex of Archaeoglobus fulgidus Argonaute protein Af1318 (AfAgo) with DNA and AfAgo-N protein containing N-L1-L2 domains 分子名称: 1,2-ETHANEDIOL, ACETIC ACID, Archaeoglobus fulgidus AfAgo-N protein, ... 著者 Manakova, E.N, Zaremba, M. 登録日 2023-03-27 公開日 2024-01-24 最終更新日 2024-03-27 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 The missing part: the Archaeoglobus fulgidus Argonaute forms a functional heterodimer with an N-L1-L2 domain protein. Nucleic Acids Res., 52, 2024
8OQN	Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme in complex with Fragment-M-53 分子名称: 1-benzyl-1H-pyrazole-4-carboxylic acid, 3-hydroxyacyl-CoA dehydrogenase, Putative acyltransferase Rv0859, ... 著者 Dalwani, S, Wierenga, R.K, Venkatesan, R. 登録日 2023-04-12 公開日 2024-01-24 最終更新日 2024-08-14 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Crystallographic fragment-binding studies of the Mycobacterium tuberculosis trifunctional enzyme suggest binding pockets for the tails of the acyl-CoA substrates at its active sites and a potential substrate-channeling path between them. Acta Crystallogr D Struct Biol, 80, 2024
6N4A	PII-like SbtB from Cyanobium sp PCC 7001 (apo) 分子名称: PHOSPHATE ION, PII-like SbtB 著者 Kaczmarski, J.A, Jackson, C.J. 登録日 2018-11-18 公開日 2019-09-18 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Structure and function of SbtB from Cyanobium sp. 7001 Biorxiv, 2019
7PE6	Crystal structure of Lymnaea stagnalis Acetylcholine-binding protein (Ls-AChBP) Q55R/M114V double mutant complexed with Flupyrimin 分子名称: (~{N}~{E})-~{N}-[1-[(6-chloranylpyridin-3-yl)methyl]pyridin-2-ylidene]-2,2,2-tris(fluoranyl)ethanamide, Acetylcholine-binding protein 著者 Montgomery, M.G. 登録日 2021-08-09 公開日 2022-02-02 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.01 Å) 主引用文献 Structural Biology-Guided Design, Synthesis, and Biological Evaluation of Novel Insect Nicotinic Acetylcholine Receptor Orthosteric Modulators. J.Med.Chem., 65, 2022
7NCX	Crystal structure of GH30 (double mutant EE) from Thermothelomyces thermophila. 分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, ... 著者 Dimarogona, M, Nikolaivits, E, Topakas, E, Weiss, M, Feiler, C.G. 登録日 2021-01-29 公開日 2021-09-08 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.36 Å) 主引用文献 Unique features of the bifunctional GH30 from Thermothelomyces thermophila revealed by structural and mutational studies Carbohydrate Polymers, 273, 2021
7N7W	Crystal Structure of SARS-CoV-2 NendoU in complex with CSC000178569 分子名称: N-(2-fluorophenyl)-N'-methylurea, Uridylate-specific endoribonuclease 著者 Godoy, A.S, Douangamath, A, Nakamura, A.M, Dias, A, Krojer, T, Noske, G.D, Gawiljuk, V.O, Fernandes, R.S, Fairhead, M, Powell, A, Dunnet, L, Aimon, A, Fearon, D, Brandao-Neto, J, Skyner, R, von Delft, F, Oliva, G. 登録日 2021-06-11 公開日 2021-09-08 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (2.42 Å) 主引用文献 Allosteric regulation and crystallographic fragment screening of SARS-CoV-2 NSP15 endoribonuclease. Nucleic Acids Res., 51, 2023
8U9K	Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI94 分子名称: 3C-like proteinase nsp5, diphenylmethyl (1R,2S,5R)-2-({(2R)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}carbamoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carboxylate 著者 Blankenship, L.R, Liu, W.R. 登録日 2023-09-19 公開日 2024-09-25 最終更新日 2024-10-09 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 Structure of the SARS-CoV-2 main protease in complex with inhibitors To Be Published
8S33	Malic semialdehyde dehydrogenase (MSA-DH) from Acinetobacter baumannii 分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Succinate-semialdehyde dehydrogenase [NAD(P)+] 著者 Piskol, F, Lukat, P, Blankenfeldt, W, Jahn, D, Moser, J. 登録日 2024-02-19 公開日 2024-08-14 最終更新日 2024-09-11 実験手法 X-RAY DIFFRACTION (2.59 Å) 主引用文献 Biochemical and structural elucidation of the L-carnitine degradation pathway of the human pathogen Acinetobacter baumannii . Front Microbiol, 15, 2024
5HKW	Crystal Structure of Apo c-Cbl TKBD Refined to 2.25 A Resolution 分子名称: E3 ubiquitin-protein ligase CBL, SODIUM ION 著者 Lovell, S, Battaile, K.P, Mehzabeen, N, Zhang, N, Cooper, A, Gao, P, Perez, R.P. 登録日 2016-01-14 公開日 2017-01-18 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.25 Å) 主引用文献 Crystal Structure of Apo c-Cbl TKBD Refined to 2.25 A Resolution To be published
8U9V	Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI101 分子名称: 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, N-{(2R)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methyl-N~2~-{[(pyridin-3-yl)methoxy]carbonyl}-L-leucinamide 著者 Blankenship, L.R, Liu, W.R. 登録日 2023-09-20 公開日 2024-09-25 最終更新日 2024-10-09 実験手法 X-RAY DIFFRACTION (1.65 Å) 主引用文献 Structure of the SARS-CoV-2 main protease in complex with inhibitors To Be Published

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