PDB: 30867 件ウェブページステータス検索Chemie searchBIRD

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5ENE	Crystal structure of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in complex with 5-Amino-2-benzyl-1,3-oxazole-4-carbonitrile (SGC - Diamond I04-1 fragment screening) 分子名称: 5-azanyl-2-(phenylmethyl)-1,3-oxazole-4-carbonitrile, PH-interacting protein 著者 Krojer, T, Talon, R, Collins, P, Bradley, A, Cox, O, Amin, J, Szykowska, A, Burgess-Brown, N, Spencer, J, Brennan, P, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F, Structural Genomics Consortium (SGC) 登録日 2015-11-09 公開日 2016-04-27 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.49 Å) 主引用文献 A poised fragment library enables rapid synthetic expansion yielding the first reported inhibitors of PHIP(2), an atypical bromodomain. Chem Sci, 7, 2016
8PGT	Crystal structure of the metallo-beta-lactamase VIM1 with 3393 分子名称: 7-[(1~{S})-1-[2-(aminomethyl)-6-oxidanylidene-5-oxa-7-azaspiro[3.4]octan-7-yl]ethyl]-3-(5-oxidanylpyridin-3-yl)-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION 著者 Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. 登録日 2023-06-18 公開日 2024-07-10 実験手法 X-RAY DIFFRACTION (1.21 Å) 主引用文献 Crystal structure of the metallo-beta-lactamase VIM1 with 3393 To Be Published
6ECL	Crystal Structure of a 1,2,4-Triazole Allosteric RNase H Inhibitor in Complex with HIV Reverse Transcriptase 分子名称: 1-[4-methoxy-3-[[5-methyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]ethanone, MANGANESE (II) ION, Reverse transcriptase/ribonuclease H 著者 Kirby, K.A, Sarafianos, S.G. 登録日 2018-08-08 公開日 2019-08-21 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.385 Å) 主引用文献 Crystal Structure of a 1,2,4-Triazole Allosteric RNase H Inhibitor in Complex with HIV Reverse Transcriptase To be published
5TCW	ACC oxidase complex with nickel and acetate 分子名称: 1-aminocyclopropane-1-carboxylate oxidase 1, ACETATE ION, NICKEL (II) ION 著者 Gunawardana, D.M, Yosaatmadja, Y, Leung, I.K, Squire, C.J. 登録日 2016-09-15 公開日 2017-09-20 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 ACC oxidase complex with substrate 1-aminocyclopropane-1-carboxylic acid To Be Published
6PP4	Structure of human endothelial nitric oxide synthase heme domain in complex with 7-(3-(Aminomethyl)-4-(pyridin-3-ylmethoxy)phenyl)-4-methylquinolin-2-amine 分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5,6,7,8-TETRAHYDROBIOPTERIN, 7-{3-(aminomethyl)-4-[(pyridin-3-yl)methoxy]phenyl}-4-methylquinolin-2-amine, ... 著者 Chreifi, G, Li, H, Poulos, T.L. 登録日 2019-07-05 公開日 2020-04-29 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 First Contact: 7-Phenyl-2-Aminoquinolines, Potent and Selective Neuronal Nitric Oxide Synthase Inhibitors That Target an Isoform-Specific Aspartate. J.Med.Chem., 63, 2020
6I7N	Trypanothione Reductase from Leismania infantum in complex with TRL156 分子名称: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, SULFATE ION, ... 著者 Carriles, A.A, Hermoso, J.A. 登録日 2018-11-16 公開日 2019-05-15 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (3.3 Å) 主引用文献 Pyrrolopyrimidine vs Imidazole-Phenyl-Thiazole Scaffolds in Nonpeptidic Dimerization Inhibitors of Leishmania infantum Trypanothione Reductase. Acs Infect Dis., 5, 2019
8PGQ	Crystal structure of the metallo-beta-lactamase VIM1 with 3225 分子名称: 7-[(1~{S})-1-[2-(aminomethyl)-6-oxidanylidene-5-oxa-7-azaspiro[3.4]octan-7-yl]ethyl]-3-[3-cyano-4-(methylsulfonylamino)phenyl]-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION 著者 Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. 登録日 2023-06-18 公開日 2024-07-10 実験手法 X-RAY DIFFRACTION (1.24 Å) 主引用文献 Crystal structure of the metallo-beta-lactamase VIM1 with 3225 To Be Published
8PJT	Crystal structure of the computationally designed SAKe6DEref protein 分子名称: SAKe6DEref 著者 Wouters, S.M.L. 登録日 2023-06-23 公開日 2024-07-10 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Computational design of the SAKe scaffold proteins To Be Published
6XAR	Structure of CBL tyrosine kinase binding domain (TKBD) with C-terminal tail of Src-like kinase protein 2 (SLAP2) 分子名称: CALCIUM ION, E3 ubiquitin-protein ligase CBL, Src-like-adapter 2 著者 Wybenga-Groot, L.E, McGlade, C.J. 登録日 2020-06-04 公開日 2021-03-03 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.501 Å) 主引用文献 SLAP2 Adaptor Binding Disrupts c-CBL Autoinhibition to Activate Ubiquitin Ligase Function. J.Mol.Biol., 433, 2021
7JW7	Structure of monobody 27 human MLKL pseudokinase domain complex 分子名称: Mixed lineage kinase domain-like protein, Monobody 27 著者 Meng, Y, Garnish, S.E, Koide, A, Koide, S, Czabotar, P.E, Murphy, J.M. 登録日 2020-08-25 公開日 2021-03-10 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.63 Å) 主引用文献 Conformational interconversion of MLKL and disengagement from RIPK3 precede cell death by necroptosis. Nat Commun, 12, 2021
6I8D	STRUCTURE OF ESTER-HYDROLASE EH1AB1 FROM THE METAGENOME OF LAKE ARREO COMPLEXED WITH A DERIVATIVE OF BUTYL 4-NITROPHENYL HEXYLPHOSPHONATE 分子名称: DI(HYDROXYETHYL)ETHER, EH1AB1, GLYCEROL, ... 著者 Cea-Rama, I, Sanz-Aparicio, J. 登録日 2018-11-20 公開日 2019-11-27 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (3.2 Å) 主引用文献 STRUCTURE OF ESTER-HYDROLASE EH1AB1 FROM THE METAGENOME OF LAKE ARREO COMPLEXED WITH A DERIVATIVE OF BUTYL 4-NITROPHENYL HEXYLPHOSPHONATE To Be Published
8PJV	Crystal structure of the computationally designed SAKe6DR protein 分子名称: SAKe6DR 著者 Wouters, S.M.L. 登録日 2023-06-23 公開日 2024-07-10 実験手法 X-RAY DIFFRACTION (1.14 Å) 主引用文献 Computational design of the SAKe scaffold proteins To Be Published
6PHJ	Crystal structure of native glucagon in space group P213 at 1.99 A resolution 分子名称: Glucagon 著者 Mroz, P.A, Gonzalez-Gutierrez, G, DiMarchi, R.D. 登録日 2019-06-25 公開日 2020-07-01 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.99 Å) 主引用文献 High resolution X-ray structure of glucagon and selected stereo-inversed analogs in novel crystallographic packing arrangement. To Be Published
7PED	DEPTOR DEP domain tandem (DEPt) 分子名称: DEP domain-containing mTOR-interacting protein 著者 Waelchli, M, Jakob, R, Maier, T. 登録日 2021-08-09 公開日 2021-09-08 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.93 Å) 主引用文献 Regulation of human mTOR complexes by DEPTOR. Elife, 10, 2021
7YP8	Neisseria gonorrhoeae Leucyl-tRNA Synthetase in Complex with Leucyl-sulfamoyl 3-deazaadenosine 分子名称: 1,2-ETHANEDIOL, Leucine--tRNA ligase, MAGNESIUM ION, ... 著者 Pang, L, De Graef, S, Strelkov, S.V, Weeks, S.D. 登録日 2022-08-02 公開日 2024-02-07 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 The essential role of a structured water in base recognition of Class II aminoacyl-tRNA synthetases To be published
6PHO	Crystal structure of glucagon analog with selenomethionine substitutions at position 1 and 27 in space group I41 at 1.42 A resolution 分子名称: Glucagon 著者 Mroz, P.A, Gonzalez-Gutierrez, G, DiMarchi, R.D. 登録日 2019-06-25 公開日 2020-07-01 実験手法 X-RAY DIFFRACTION (1.42 Å) 主引用文献 High resolution X-ray structure of glucagon and selected stereo-inversed analogs in novel crystallographic packing arrangement. To Be Published
7JT0	Crystal structure of SARS-CoV-2 3CL protease in complex with MAC5576 分子名称: 3C-like proteinase, PHOSPHATE ION, thiophene-2-carbaldehyde 著者 Iketani, S, Forouhar, F, Liu, H, Hong, S.J, Lin, F.-Y, Nair, M.S, Zask, A, Huang, Y, Xing, L, Stockwell, B.R, Chavez, A, Ho, D.D. 登録日 2020-08-16 公開日 2021-03-10 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.73 Å) 主引用文献 Lead compounds for the development of SARS-CoV-2 3CL protease inhibitors. Nat Commun, 12, 2021
8PNJ	Chorismate mutase 分子名称: 8-HYDROXY-2-OXA-BICYCLO[3.3.1]NON-6-ENE-3,5-DICARBOXYLIC ACID, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... 著者 Khatanbaatar, T, Cordara, G, Krengel, U. 登録日 2023-06-30 公開日 2024-07-10 実験手法 X-RAY DIFFRACTION (2.355 Å) 主引用文献 Structural analysis of chorismate mutase and cyclohexadienyl dehydratase from Pseudomonas aeruginosa To Be Published
5TDE	TEV Cleaved Human ATP Citrate Lyase Bound to Citrate 分子名称: ATP-citrate synthase, CITRATE ANION, DIHYDROGENPHOSPHATE ION, ... 著者 Hu, J, Fraser, M.E. 登録日 2016-09-19 公開日 2017-08-09 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Binding of hydroxycitrate to human ATP-citrate lyase. Acta Crystallogr D Struct Biol, 73, 2017
6PHT	Crystal structure of Marinobacter subterrani acetylpolyamine amidohydrolase (msAPAH) complexed with 5-[(3-aminopropyl)amino]pentylboronic acid 分子名称: Acetylpolyamine amidohydrolase, MAGNESIUM ION, POTASSIUM ION, ... 著者 Osko, J.D, Christianson, D.W. 登録日 2019-06-25 公開日 2019-09-18 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Structure and Function of the Acetylpolyamine Amidohydrolase from the Deep Earth HalophileMarinobacter subterrani. Biochemistry, 58, 2019
6E7L	Structure of a dimerized UUCG motif 分子名称: RNA (5'-R(*GP*GP*GP*CP*UP*GP*CP*AP*CP*UP*UP*CP*GP*GP*UP*GP*CP*UP*GP*CP*CP*C)-3') 著者 Montemayor, E.J, Butcher, S.E. 登録日 2018-07-26 公開日 2019-07-31 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (2.59 Å) 主引用文献 Structure of an RNA helix with pyrimidine mismatches and cross-strand stacking. Acta Crystallogr.,Sect.F, 75, 2019
8PNX	Crystal structure of D-amino acid aminotransferase from Blastococcus saxobsidens in PMP form 分子名称: 1,2-ETHANEDIOL, 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, Branched-chain amino acid aminotransferase/4-amino-4-deoxychorismate lyase, ... 著者 Matyuta, I.O, Boyko, K.M, Nikolaeva, A.Y, Shilova, S.A, Popov, V.O. 登録日 2023-07-03 公開日 2024-07-10 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Structural determinants of dual substrate recognition in the transaminase from Blastococcus saxobsidens specific to D-amino acids and R-amines To Be Published
6PID	Crystal structure of Marinobacter subterrani acetylpolyamine amidohydrolase (msAPAH) complexed with 8-amino-N-hydroxyoctanamide 分子名称: 8-amino-N-hydroxyoctanamide, Acetylpolyamine amidohydrolase, MAGNESIUM ION, ... 著者 Osko, J.D, Christianson, D.W. 登録日 2019-06-26 公開日 2019-09-18 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.546 Å) 主引用文献 Structure and Function of the Acetylpolyamine Amidohydrolase from the Deep Earth HalophileMarinobacter subterrani. Biochemistry, 58, 2019
6I9W	Crystal structure of the halohydrin dehalogenase HheG T123G mutant 分子名称: (R,R)-2,3-BUTANEDIOL, CHLORIDE ION, Putative oxidoreductase 著者 Kluenemann, T, Blankenfeldt, W, Schallmey, A. 登録日 2018-11-26 公開日 2019-08-21 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.55 Å) 主引用文献 Position 123 of halohydrin dehalogenase HheG plays an important role in stability, activity, and enantioselectivity. Sci Rep, 9, 2019
6AR4	Crystal structure of PICK1 in complex with the small molecule inhibitor 1o 分子名称: N-[4-(4-bromophenyl)-1-{[2-(trifluoromethyl)phenyl]methyl}piperidine-4-carbonyl]-3-cyclopropyl-L-alanine, PRKCA-binding protein 著者 Marcotte, D. 登録日 2017-08-21 公開日 2018-08-22 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.69 Å) 主引用文献 Potent PDZ-Domain PICK1 Inhibitors that Modulate Amyloid Beta-Mediated Synaptic Dysfunction. Sci Rep, 8, 2018

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