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

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5OD3	Crystal structure of R. ruber ADH-A, mutant Y54G, L119Y 分子名称: Alcohol dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ZINC ION 著者 Dobritzsch, D, Maurer, D, Hamnevik, E, Enugala, T.R, Widersten, M. 登録日 2017-07-04 公開日 2018-07-04 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.83 Å) 主引用文献 Stereo- and Regioselectivity in Catalyzed Transformation of a 1,2-Disubstituted Vicinal Diol and the Corresponding Diketone by Wild Type and Laboratory Evolved Alcohol Dehydrogenases Acs Catalysis, 8, 2018
7C5C	Crystal structure of SeFRS 分子名称: 1,2-ETHANEDIOL, Tyrosine--tRNA ligase 著者 Sun, J.P, Wang, J.Y, Zhu, Z.L, He, Q.T. 登録日 2020-05-19 公開日 2021-05-26 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.72 Å) 主引用文献 CRYSTAL STRUCTURE OF SeFRS To Be Published
5ODZ	CRYSTAL STRUCTURE OF THE BETA-LACTAMASE OXA-163 分子名称: Beta-lactamase, CHLORIDE ION, MAGNESIUM ION, ... 著者 Lund, B.A, Carlsen, T.J.O, Leiros, H.K.S. 登録日 2017-07-07 公開日 2017-10-18 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.07 Å) 主引用文献 Structure, activity and thermostability investigations of OXA-163, OXA-181 and OXA-245 using biochemical analysis, crystal structures and differential scanning calorimetry analysis. Acta Crystallogr F Struct Biol Commun, 73, 2017
6SIR	Crystal structure of the guanylate cyclase domain of RhGC from Catenaria anguillulae in complex with GTP 分子名称: CALCIUM ION, GLYCEROL, GUANOSINE-5'-TRIPHOSPHATE, ... 著者 Butryn, A, Orville, A.M. 登録日 2019-08-10 公開日 2019-12-18 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Molecular basis for GTP recognition by light-activated guanylate cyclase RhGC. Febs J., 287, 2020
5OE4	Crystal structure of the N-terminal domain of PqsA in complex with anthraniloyl-AMP (crystal form 2) 分子名称: 5'-O-[(S)-[(2-aminobenzoyl)oxy](hydroxy)phosphoryl]adenosine, Anthranilate--CoA ligase 著者 Witzgall, F, Ewert, W, Blankenfeldt, W. 登録日 2017-07-07 公開日 2017-09-06 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.904 Å) 主引用文献 Structures of the N-Terminal Domain of PqsA in Complex with Anthraniloyl- and 6-Fluoroanthraniloyl-AMP: Substrate Activation in Pseudomonas Quinolone Signal (PQS) Biosynthesis. Chembiochem, 18, 2017
7CHP	Crystal structure of SARS-CoV-2 antibody P5A-3C8 with RBD 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody P5A-3C8 heavy chain, ... 著者 Wang, X, Zhang, L, Ge, J, Wang, R, Zhang, Q. 登録日 2020-07-06 公開日 2021-05-19 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.357 Å) 主引用文献 Potent and protective IGHV3-53/3-66 public antibodies and their shared escape mutant on the spike of SARS-CoV-2. Nat Commun, 12, 2021
6SKP	OXA-10_IPM. Structural insight to the enhanced carbapenem efficiency of OXA-655 compared to OXA-10. 分子名称: (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid, Beta-lactamase, SODIUM ION, ... 著者 Leiros, H.-K.S. 登録日 2019-08-16 公開日 2019-09-18 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.891 Å) 主引用文献 Structural insights into the enhanced carbapenemase efficiency of OXA-655 compared to OXA-10. Febs Open Bio, 10, 2020
6SF4	Apo form of the ribonucleotide reductase NrdB protein from Leeuwenhoekiella blandensis 分子名称: Ribonucleoside-diphosphate reductase, beta subunit 1 著者 Hasan, M, Rozman Grinberg, I, Sjoberg, B.M, Logan, D.T. 登録日 2019-07-31 公開日 2019-08-28 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Class Id ribonucleotide reductase utilizes a Mn2(IV,III) cofactor and undergoes large conformational changes on metal loading. J.Biol.Inorg.Chem., 24, 2019
5OIM	InhA (T2A mutant) complexed with ethyl 2-methyl-4,5,6,7-tetrahydrobenzo[d]thiazole-6-carboxylate 分子名称: 2-ETHOXYETHANOL, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... 著者 Convery, M.A. 登録日 2017-07-19 公開日 2018-02-14 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (1.91 Å) 主引用文献 Screening of a Novel Fragment Library with Functional Complexity against Mycobacterium tuberculosis InhA. ChemMedChem, 13, 2018
6SKV	Crystal structure of bovine carbonic anhydrase II in complex with a benzenesulfonamide-based ligand (SH2) 分子名称: COPPER (II) ION, Carbonic anhydrase 2, GLYCEROL, ... 著者 Groves, M.R, Wang, W, van Oosterwijk, N. 登録日 2019-08-16 公開日 2020-08-26 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 Target diazotransfer reagents to label metalloenzymes To Be Published
6SFH	CRYSTAL STRUCTURE OF DHQ1 FROM Staphylococcus aureus COVALENTLY MODIFIED BY LIGAND 7 分子名称: (1~{S},3~{S},4~{S},5~{R})-3-(aminomethyl)-3,4,5-tris(hydroxyl)cyclohexane-1-carboxylic acid, 3-dehydroquinate dehydratase, LITHIUM ION, ... 著者 Sanz-Gaitero, M, Lence, E, Maneiro, M, Thompson, R, Hawkins, A.R, Gonzalez-Bello, C, van Raaij, M.J. 登録日 2019-08-01 公開日 2020-04-15 最終更新日 2020-07-08 実験手法 X-RAY DIFFRACTION (1.73 Å) 主引用文献 Self-Immolation of a Bacterial Dehydratase Enzyme by its Epoxide Product. Chemistry, 26, 2020
5OFH	Cu nitrite reductase serial data at varying temperatures RT 0.15MGy 分子名称: ACETATE ION, COPPER (II) ION, Copper-containing nitrite reductase, ... 著者 Horrell, S, Kekilli, D, Strange, R.W, Hough, M.A. 登録日 2017-07-11 公開日 2018-05-23 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.58 Å) 主引用文献 Enzyme catalysis captured using multiple structures from one crystal at varying temperatures. IUCrJ, 5, 2018
5OIT	InhA (T2A mutant) complexed with 5-((5-Amino-3-methyl-1H-pyrazol-1-yl)methyl)-N-(1-(2-chloro-6-fluorobenzyl)-1H-pyrazol-3-yl)-1,3,4-thiadiazol-2-amine 分子名称: 5-[(5-azanyl-3-methyl-pyrazol-1-yl)methyl]-~{N}-[1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]pyrazol-3-yl]-1,3,4-thiadiazol-2-amine, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE 著者 Convery, M.A. 登録日 2017-07-19 公開日 2018-02-14 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (2.58 Å) 主引用文献 Screening of a Novel Fragment Library with Functional Complexity against Mycobacterium tuberculosis InhA. ChemMedChem, 13, 2018
5OFQ	Crystal structure of substrate-free CYP109A2 from Bacillus megaterium 分子名称: Cytochrome P450, PENTAETHYLENE GLYCOL, PROTOPORPHYRIN IX CONTAINING FE, ... 著者 Jozwik, I.K, Thunnissen, A.M.W.H. 登録日 2017-07-11 公開日 2017-09-27 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 Biochemical and structural characterization of CYP109A2, a vitamin D3 25-hydroxylase from Bacillus megaterium. FEBS J., 284, 2017
5OJ6	Crystal structure of the chicken MDGA1 ectodomain in complex with the human neuroligin 1 (NL1(-A-B)) cholinesterase domain. 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, MAM domain-containing glycosylphosphatidylinositol anchor protein 1, Neuroligin-1, ... 著者 Elegheert, J, Clayton, A.J, Aricescu, A.R. 登録日 2017-07-20 公開日 2017-08-23 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (3.3 Å) 主引用文献 Structural Mechanism for Modulation of Synaptic Neuroligin-Neurexin Signaling by MDGA Proteins. Neuron, 95, 2017
6SLR	Structure of saposin B in complex with atovaquone 分子名称: 2-[trans-4-(4-chlorophenyl)cyclohexyl]-3-hydroxynaphthalene-1,4-dione, GLYCEROL, Prosaposin 著者 Zubieta, C, Milliken, B, Doyle, R. 登録日 2019-08-20 公開日 2020-09-09 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.38 Å) 主引用文献 Structure of saposin B in complex with atovaquone To Be Published
5OKD	Crystal structure of bovine Cytochrome bc1 in complex with inhibitor SCR0911. 分子名称: 1,2-DIHEXANOYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, ... 著者 Amporndanai, K, O'Neill, P.M, Hasnain, S.S, Antonyuk, S.V. 登録日 2017-07-25 公開日 2018-02-28 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (3.1 Å) 主引用文献 X-ray and cryo-EM structures of inhibitor-bound cytochromebc1complexes for structure-based drug discovery. IUCrJ, 5, 2018
5OI9	Trichoplax adhaerens STIL N-terminal domain 分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Putative uncharacterized protein 著者 van Breugel, M. 登録日 2017-07-18 公開日 2018-04-18 最終更新日 2018-05-09 実験手法 X-RAY DIFFRACTION (2.09 Å) 主引用文献 Direct binding of CEP85 to STIL ensures robust PLK4 activation and efficient centriole assembly. Nat Commun, 9, 2018
5OIR	InhA (T2A mutant) complexed with 2,6-Dimethyl-3-(1-(pyrimidin-2-yl)piperidin-4-yl)pyridin-4(1H)-one 分子名称: 2,6-dimethyl-3-(1-pyrimidin-2-ylpiperidin-4-yl)-1~{H}-pyridin-4-one, 2-ETHOXYETHANOL, Enoyl-[acyl-carrier-protein] reductase [NADH], ... 著者 Convery, M.A. 登録日 2017-07-19 公開日 2018-02-14 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (1.97 Å) 主引用文献 Screening of a Novel Fragment Library with Functional Complexity against Mycobacterium tuberculosis InhA. ChemMedChem, 13, 2018
5OJ2	Crystal structure of the chicken MDGA1 ectodomain 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, MAM domain-containing glycosylphosphatidylinositol anchor protein 1, alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... 著者 Elegheert, J, Clayton, A.J, Aricescu, A.R. 登録日 2017-07-20 公開日 2017-08-23 最終更新日 2020-07-29 実験手法 X-RAY DIFFRACTION (3.2 Å) 主引用文献 Structural Mechanism for Modulation of Synaptic Neuroligin-Neurexin Signaling by MDGA Proteins. Neuron, 95, 2017
7C48	Crystal structure of phosphorylated Ser78 form of Rv1045 toxin 分子名称: Rv1045 toxin, SULFATE ION 著者 Deep, A, Kaur, J, Thakur, K.G. 登録日 2020-05-15 公開日 2021-05-26 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Crystal structure of Rv1045 toxin in it's Ser78 phosphorylated form To Be Published
6SKR	OXA-10_ETP. Structural insight to the enhanced carbapenem efficiency of OXA-655 compared to OXA-10. 分子名称: (4R,5S)-3-({(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl}sulfanyl)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-4-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid, Beta-lactamase, FORMIC ACID, ... 著者 Leiros, H.-K.S. 登録日 2019-08-16 公開日 2019-09-18 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 Structural insights into the enhanced carbapenemase efficiency of OXA-655 compared to OXA-10. Febs Open Bio, 10, 2020
5OKE	Conservatively refined structure of Gan1D-E170Q, a catalytic mutant of a putative 6-phospho-beta-galactosidase from Geobacillus stearothermophilus, in complex with cellobiose-6-phosphate 分子名称: 6-O-phosphono-beta-D-glucopyranose, 6-O-phosphono-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose, GLYCEROL, ... 著者 Lansky, S, Zehavi, A, Shoham, Y, Shoham, G. 登録日 2017-07-25 公開日 2017-10-18 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.31 Å) 主引用文献 Structural basis for enzyme bifunctionality - the case of Gan1D from Geobacillus stearothermophilus. FEBS J., 284, 2017
5OLT	Crystal structure of the extramembrane domain of the cellulose biosynthetic protein BcsG from Salmonella typhimurium 分子名称: CITRIC ACID, Cellulose biosynthesis protein BcsG, ZINC ION 著者 Vella, P, Polyakova, A, Lindqvist, Y, Schnell, R, Bourenkov, G, Schneider, T, Schneider, G. 登録日 2017-07-28 公開日 2018-08-08 最終更新日 2019-02-20 実験手法 X-RAY DIFFRACTION (1.45 Å) 主引用文献 Structural and Functional Characterization of the BcsG Subunit of the Cellulose Synthase in Salmonella typhimurium. J. Mol. Biol., 430, 2018
6SLV	Fragment AZ-013 binding at the p53pT387/14-3-3 sigma interface 分子名称: 14-3-3 protein sigma, 4-(methylamino)-7-propan-2-yloxy-1-benzothiophene-2-carboximidamide, CHLORIDE ION, ... 著者 Ottmann, C, Wolter, M, Guillory, X, Leysen, S, Genet, S, Somsen, B, Patel, J, Castaldi, P. 登録日 2019-08-20 公開日 2020-06-17 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Fragment-based Differential Targeting of PPI Stabilizer Interfaces. J.Med.Chem., 63, 2020

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