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

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5UGJ	Crystal structure of HTPA Reductase from neisseria meningitidis 分子名称: 4-hydroxy-tetrahydrodipicolinate reductase 著者 Keown, J.K, Richards, E.W, Pearce, F.G, Goldstone, D.C. 登録日 2017-01-08 公開日 2017-12-13 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 Plant DHDPR forms a dimer with unique secondary structure features that preclude higher-order assembly. Biochem. J., 475, 2018
7VRR	Crystal structure of Arabidopsis thaliana HDT1 分子名称: Histone deacetylase HDT1 著者 Kumar, A, Bobde, R.C, Vasudevan, D. 登録日 2021-10-23 公開日 2022-09-21 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.95 Å) 主引用文献 Plant-specific HDT family histone deacetylases are nucleoplasmins. Plant Cell, 34, 2022
5D3F	Crystal structure of human 14-3-3 zeta in complex with CFTR R-domain peptide pS753-pS768 and stabilizer fusicoccin-A 分子名称: 14-3-3 protein zeta/delta, Cystic fibrosis transmembrane conductance regulator, FUSICOCCIN 著者 Stevers, L.M, Leysen, S.F.R, Ottmann, C. 登録日 2015-08-06 公開日 2016-03-16 最終更新日 2019-03-13 実験手法 X-RAY DIFFRACTION (2.74 Å) 主引用文献 Characterization and small-molecule stabilization of the multisite tandem binding between 14-3-3 and the R domain of CFTR. Proc.Natl.Acad.Sci.USA, 113, 2016
7Q24	Crystal structure of Angiotensin-1 converting enzyme N-domain in complex with dual ACE/NEP inhibitor AD011 分子名称: (2~{S})-2-[[(2~{S})-1-[[(2~{S})-3-(1~{H}-indol-3-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-4-phenyl-butanoic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... 著者 Cozier, G.E, Acharya, K.R. 登録日 2021-10-23 公開日 2022-02-16 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Probing the Requirements for Dual Angiotensin-Converting Enzyme C-Domain Selective/Neprilysin Inhibition. J.Med.Chem., 65, 2022
7NA0	Structure of Geobacter sulfurreducens proline utilization A (PutA) variant A206W 分子名称: 1,2-ETHANEDIOL, Bifunctional protein PutA, FLAVIN-ADENINE DINUCLEOTIDE, ... 著者 Tanner, J.J, Korasick, D.A. 登録日 2021-06-19 公開日 2021-09-22 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Probing the function of a ligand-modulated dynamic tunnel in bifunctional proline utilization A (PutA). Arch.Biochem.Biophys., 712, 2021
8V9N	Human PU.1 ETS-Domain (165-270) Bound to d(AATAGAAGGAAGTGGG) 分子名称: DNA (5'-D(*AP*AP*TP*AP*GP*AP*AP*GP*GP*AP*AP*GP*TP*GP*GP*G)-3'), DNA (5'-D(*TP*CP*CP*CP*AP*CP*TP*TP*CP*CP*TP*TP*CP*TP*AP*T)-3'), Transcription factor PU.1 著者 Terrell, J.R, Ogbonna, E.N, Poon, G.M.K, Wilson, W.D. 登録日 2023-12-08 公開日 2024-10-02 実験手法 X-RAY DIFFRACTION (1.78 Å) 主引用文献 Structural Characterization of GC Base Pair Recognition by a Diamidine Small Molecule To Be Published
7Q25	Crystal structure of Angiotensin-1 converting enzyme N-domain in complex with dual ACE/NEP inhibitor AD012 分子名称: (2~{S})-2-[[(2~{S})-1-[[(2~{S})-3-(4-hydroxyphenyl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-4-phenyl-butanoic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... 著者 Cozier, G.E, Acharya, K.R. 登録日 2021-10-23 公開日 2022-02-16 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Probing the Requirements for Dual Angiotensin-Converting Enzyme C-Domain Selective/Neprilysin Inhibition. J.Med.Chem., 65, 2022
5HK5	Structure of the Grem2-GDF5 Inhibitory Complex 分子名称: Gremlin-2, Growth/differentiation factor 5 著者 Nolan, K, Thompson, T.B, Read, R.J. 登録日 2016-01-13 公開日 2016-08-24 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.9 Å) 主引用文献 Structure of Gremlin-2 in Complex with GDF5 Gives Insight into DAN-Family-Mediated BMP Antagonism. Cell Rep, 16, 2016
8RD5	Crystal structure of Kemp Eliminase HG3.R5 with bound transition state analog 6-nitrobenzotriazole 分子名称: 6-NITROBENZOTRIAZOLE, ACETATE ION, Endo-1,4-beta-xylanase, ... 著者 Schaub, D, Schwander, T, Hueppi, S, Buller, R.M. 登録日 2023-12-07 公開日 2024-09-04 最終更新日 2024-10-23 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Enriching productive mutational paths accelerates enzyme evolution. Nat.Chem.Biol., 2024
8ONX	High resolution structure of Chaetomium thermophilum MAP2 分子名称: MANGANESE (II) ION, Methionine aminopeptidase 2 著者 Klein, M.A, Wild, K, Kisonaite, M, Sinning, I. 登録日 2023-04-04 公開日 2024-02-14 実験手法 X-RAY DIFFRACTION (1.3 Å) 主引用文献 Methionine aminopeptidase 2 and its autoproteolysis product have different binding sites on the ribosome. Nat Commun, 15, 2024
8V35	Crystal structure of HpsN from Cupriavidus pinatubonensis 分子名称: 1,2-ETHANEDIOL, 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 (1.94 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
7Q26	Crystal structure of Angiotensin-1 converting enzyme N-domain in complex with dual ACE/NEP inhibitor AD013 分子名称: (2~{S},5~{R})-5-(4-methylphenyl)-1-[2-[[(2~{S})-1-oxidanyl-1-oxidanylidene-4-phenyl-butan-2-yl]amino]ethanoyl]pyrrolidine-2-carboxylic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... 著者 Cozier, G.E, Acharya, K.R. 登録日 2021-10-23 公開日 2022-02-16 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Probing the Requirements for Dual Angiotensin-Converting Enzyme C-Domain Selective/Neprilysin Inhibition. J.Med.Chem., 65, 2022
7Q27	Crystal structure of Angiotensin-1 converting enzyme C-domain in complex with dual ACE/NEP inhibitor AD011 分子名称: (2~{S})-2-[[(2~{S})-1-[[(2~{S})-3-(1~{H}-indol-3-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-4-phenyl-butanoic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... 著者 Cozier, G.E, Acharya, K.R. 登録日 2021-10-23 公開日 2022-02-16 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Probing the Requirements for Dual Angiotensin-Converting Enzyme C-Domain Selective/Neprilysin Inhibition. J.Med.Chem., 65, 2022
8U59	EcDsbA soaked with N-(2-fluorophenyl)-5-methylisoxazole-3-carboxamide and N-(4-(thiophen-3-yl)benzyl)cyclohexanamine 分子名称: COPPER (II) ION, N-(2-fluorophenyl)-5-methyl-1,2-oxazole-3-carboxamide, Thiol:disulfide interchange protein DsbA, ... 著者 Wang, G, Heras, B. 登録日 2023-09-12 公開日 2024-09-25 実験手法 X-RAY DIFFRACTION (1.77 Å) 主引用文献 Two-mode inhibition of DsbA: combination of two site-specific inhibitors enhances virulence inhibition in Salmonella enterica serovar Typhimurium To Be Published
7ZC8	Crystal structure of the C-terminal domain of FusB, a TonB homologue 分子名称: Protein TonB 著者 Wojnowska, M, Walker, D, Yelland, T. 登録日 2022-03-25 公開日 2022-08-17 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.08 Å) 主引用文献 Crystal structure of the C-terminal domain of FusB, a TonB homologue To Be Published
8U9H	Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI64 分子名称: (1R,2S,5R)-3-[(cyclohexyloxy)acetyl]-N-{(2R)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5 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 2024-10-23 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Structure of the SARS-CoV-2 main protease in complex with inhibitors To Be Published
8OGE	Structure of cobalt(II) substituted double mutant human carbonic anhydrase II bound to thiocyanate 分子名称: 4-(HYDROXYMERCURY)BENZOIC ACID, COBALT (II) ION, Carbonic anhydrase 2, ... 著者 Silva, J.M, Cerofolini, L, Carvalho, A.L, Ravera, E, Fragai, M, Parigi, G, Macedo, A.L, Geraldes, C.F.G.C, Luchinat, C. 登録日 2023-03-20 公開日 2024-02-07 実験手法 X-RAY DIFFRACTION (1.46 Å) 主引用文献 Elucidating the concentration-dependent effects of thiocyanate binding to carbonic anhydrase. J.Inorg.Biochem., 244, 2023
8U9U	Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI98 分子名称: (1R,2S,5S)-3-[bis(4-chlorophenoxy)acetyl]-N-{(2S)-1-hydroxy-3-[(3R)-2-oxo-3,4-dihydro-2H-pyrrol-3-yl]propan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5 著者 Blankenship, L.R, Liu, W.R. 登録日 2023-09-20 公開日 2024-09-25 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
7YZE	Crystal structure of the human FoxA2 bound to the TGTTTACT site (forkhead motif GTAAACA) 分子名称: DNA (5'-D(*AP*GP*AP*TP*TP*GP*TP*TP*TP*AP*CP*TP*GP*AP*GP*A)-3'), DNA (5'-D(*TP*CP*TP*CP*AP*GP*TP*AP*AP*AP*CP*AP*AP*TP*CP*T)-3'), Hepatocyte nuclear factor 3-beta, ... 著者 Pluta, R, Macias, M.J. 登録日 2022-02-19 公開日 2022-11-16 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.99 Å) 主引用文献 Molecular basis for DNA recognition by the maternal pioneer transcription factor FoxH1. Nat Commun, 13, 2022
5HKE	bile salt hydrolase from Lactobacillus salivarius 分子名称: Bile salt hydrolase, PHOSPHATE ION 著者 Hu, X.-J. 登録日 2016-01-14 公開日 2016-05-11 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Crystal structure of bile salt hydrolase from Lactobacillus salivarius. Acta Crystallogr F Struct Biol Commun, 72, 2016
6MKI	Crystal structure of penicillin-binding protein 4 (PBP4) from Enterococcus faecalis in the ceftaroline-bound form 分子名称: Ceftaroline, bound form, GLYCEROL, ... 著者 D'Andrea, E.D, Moon, T.M, Peti, W, Page, R. 登録日 2018-09-25 公開日 2018-10-31 最終更新日 2024-10-30 実験手法 X-RAY DIFFRACTION (2.984 Å) 主引用文献 The structures of penicillin-binding protein 4 (PBP4) and PBP5 fromEnterococciprovide structural insights into beta-lactam resistance. J. Biol. Chem., 293, 2018
5HKK	Caldalaklibacillus thermarum F1-ATPase (wild type) 分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase epsilon chain, ... 著者 Ferguson, S.A, Cook, G.M, Montgomery, M.G, Leslie, A.G.W, Walker, J.E. 登録日 2016-01-14 公開日 2016-09-21 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (3 Å) 主引用文献 Regulation of the thermoalkaliphilic F1-ATPase from Caldalkalibacillus thermarum. Proc.Natl.Acad.Sci.USA, 113, 2016
6ML7	ZBTB24 Zinc Fingers 4-8 with 19+1mer DNA Oligonucleotide (Sequence 4 with a CpG 5mC Modification) 分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, DNA (5'-D(*AP*CP*GP*CP*AP*GP*GP*TP*CP*CP*TP*GP*GP*AP*(5CM)P*GP*AP*AP*TP*T)-3'), ... 著者 Horton, J.R, Cheng, X, Ren, R. 登録日 2018-09-26 公開日 2019-07-03 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 Structural basis of specific DNA binding by the transcription factor ZBTB24. Nucleic Acids Res., 47, 2019
7VR6	Crystal structure of MlaC from Escherichia coli in quasi-open state 分子名称: 1,2-ETHANEDIOL, DI-PALMITOYL-3-SN-PHOSPHATIDYLETHANOLAMINE, Intermembrane phospholipid transport system binding protein MlaC 著者 Dutta, A, Kanaujia, S.P. 登録日 2021-10-21 公開日 2022-09-21 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 MlaC belongs to a unique class of non-canonical substrate-binding proteins and follows a novel phospholipid-binding mechanism. J.Struct.Biol., 214, 2022
7Z5W	ROS1 with AstraZeneca ligand 1 分子名称: Proto-oncogene tyrosine-protein kinase ROS, SULFATE ION, ~{N}-[6-methyl-2-[(2~{S})-2-[3-(3-methylpyrazin-2-yl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine 著者 Hargreaves, D. 登録日 2022-03-10 公開日 2022-08-17 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.254 Å) 主引用文献 Virtual Screening in the Cloud Identifies Potent and Selective ROS1 Kinase Inhibitors. J.Chem.Inf.Model., 62, 2022

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