PDB: 45459 件ウェブページステータス検索Chemie searchBIRD

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6PJA	Time-resolved structural snapshot of proteolysis by GlpG inside the membrane 分子名称: Peptide aldehyde inhibitor, Rhomboid protease GlpG 著者 Urban, S, Cho, S. 登録日 2019-06-28 公開日 2019-10-02 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Ten catalytic snapshots of rhomboid intramembrane proteolysis from gate opening to peptide release. Nat.Struct.Mol.Biol., 26, 2019
8U2S	Crystal Structure of Acetyl-coenzyme A synthetase from Leishmania infantum (Ethyl AMP bound, P21 form) 分子名称: 5'-O-[(S)-ethoxy(hydroxy)phosphoryl]adenosine, Acetyl-coenzyme A synthetase, CACODYLATE ION, ... 著者 Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID) 登録日 2023-09-06 公開日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.52 Å) 主引用文献 Crystal Structure of Acetyl-coenzyme A synthetase from Leishmania infantum (Ethyl AMP bound, P21 form) To be published
6POH	Crystal Structure of EcDsbA in complex alkyl ether 21 分子名称: (6-butoxy-1-benzofuran-3-yl)acetic acid, COPPER (II) ION, Thiol:disulfide interchange protein DsbA 著者 Ilyichova, O.V, Scanlon, M.J. 登録日 2019-07-03 公開日 2019-11-06 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.67 Å) 主引用文献 The Fragment-Based Development of a Benzofuran Hit as a New Class of Escherichia coli DsbA Inhibitors. Molecules, 24, 2019
6ERG	Complex of XLF and heterodimer Ku bound to DNA 分子名称: DNA (21-MER), DNA (34-MER), Non-homologous end-joining factor 1, ... 著者 Nemoz, C, Legrand, P, Ropars, V, Charbonnier, J.B. 登録日 2017-10-18 公開日 2018-10-17 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.9 Å) 主引用文献 XLF and APLF bind Ku80 at two remote sites to ensure DNA repair by non-homologous end joining. Nat. Struct. Mol. Biol., 25, 2018
6PGZ	MTSL labelled T4 lysozyme pseudo-wild type V75C mutant 分子名称: CHLORIDE ION, Endolysin, S-[(1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate 著者 Cuneo, M.J, Myles, D.A, Li, L. 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 (2 Å) 主引用文献 Making hydrogens stand out: Enhanced neutron diffraction from biological crystals using dynamic nuclear polarization To be published
5IU5	Lambda-[Ru(TAP)2(dppz)]2+ bound to d(TCGGCICCGA)2 分子名称: BARIUM ION, DNA (5'-D(*TP*CP*GP*GP*CP*IP*CP*CP*GP*A)-3'), Ru(tap)2(dppz) complex 著者 Hall, J.P, Cardin, C.J. 登録日 2016-03-17 公開日 2017-06-21 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Unexpected enhancement of sensitised photo-oxidation by a Ru(II) complex on replacement of guanine with inosine in DNA To Be Published
5JO0	Structure of Plasmodium falciparum DXR in complex with a beta-substituted fosmidomycin analogue, LC56 and manganese 分子名称: 1,2-ETHANEDIOL, 1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplastic, ... 著者 Sooriyaarachchi, S, Bergfors, T, Jones, T.A, Mowbray, S.L. 登録日 2016-05-01 公開日 2016-08-24 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Targeting an Aromatic Hotspot in Plasmodium falciparum 1-Deoxy-d-xylulose-5-phosphate Reductoisomerase with beta-Arylpropyl Analogues of Fosmidomycin. Chemmedchem, 11, 2016
6XUJ	HumRadA1 in complex with 5-Ethyl-N-(1H-indol-5-ylmethyl)-1,3,4-thiadiazol-2-amine in P21212 分子名称: 5-Ethyl-N-(1H-indol-5-ylmethyl)-1,3,4-thiadiazol-2-amine, DNA repair and recombination protein RadA, PHOSPHATE ION 著者 Marsh, M.E, Scott, D.E, Hyvonen, M. 登録日 2020-01-20 公開日 2021-03-03 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.54 Å) 主引用文献 Optimising crystallographic systems for structure-guided drug discovery To be published
6AQX	Crystal Structure of Z-DNA with 6-fold Twinning_Z4B 分子名称: DNA (5'-D(*CP*GP*CP*GP*CP*G)-3') 著者 Luo, Z, Dauter, Z, Gilski, M. 登録日 2017-08-21 公開日 2017-08-30 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.55 Å) 主引用文献 Four highly pseudosymmetric and/or twinned structures of d(CGCGCG)2 extend the repertoire of crystal structures of Z-DNA. Acta Crystallogr D Struct Biol, 73, 2017
6XFP	Crystal Structure of BRAF kinase domain bound to Belvarafenib 分子名称: 4-amino-N-{1-[(3-chloro-2-fluorophenyl)amino]-6-methylisoquinolin-5-yl}thieno[3,2-d]pyrimidine-7-carboxamide, CHLORIDE ION, Serine/threonine-protein kinase B-raf 著者 Yin, J, Sudhamsu, J. 登録日 2020-06-16 公開日 2021-03-10 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 ARAF mutations confer resistance to the RAF inhibitor belvarafenib in melanoma. Nature, 594, 2021
6PIQ	Crystal Structure of EcDsbA in a complex with unpurified reaction product G6 (pyrazole 9) 分子名称: 2-[4-(4-cyano-3-methylphenoxy)phenyl]-N-ethyl-N-[2-(1H-pyrazol-1-yl)ethyl]acetamide, COPPER (II) ION, Thiol:disulfide interchange protein DsbA 著者 Ilyichova, O.V, Bentley, M, Doak, B, Scanlon, M.J. 登録日 2019-06-26 公開日 2020-07-01 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiL X ). J.Med.Chem., 63, 2020
2K5E	SOLUTION STRUCTURE OF PUTATIVE UNCHARACTERIZED PROTEIN GSU1278 FROM METHANOCALDOCOCCUS JANNASCHII, NORTHEAST STRUCTURAL GENOMICS CONSORTIUM (NESG) TARGET GsR195 分子名称: uncharacterized protein 著者 Liu, G, Zhao, L, Ciccosanti, C, Jiang, M, Xiao, R, Swapna, G, Nair, R, Everett, J.K, Acton, T.B, Rost, B, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) 登録日 2008-06-27 公開日 2008-08-26 最終更新日 2024-05-08 実験手法 SOLUTION NMR 主引用文献 SOLUTION STRUCTURE OF PUTATIVE UNCHARACTERIZED PROTEIN GSU1278 FROM METHANOCALDOCOCCUS JANNASCHII, NORTHEAST STRUCTURAL GENOMICS CONSORTIUM (NESG) TARGET GsR195 To be Published
6OZC	BG505 SOSIP.664 with 2G12 Fab2 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, 2G12 Fab Heavy chain, ... 著者 Cottrell, C.A, Ward, A.B. 登録日 2019-05-15 公開日 2020-05-20 最終更新日 2020-08-19 実験手法 ELECTRON MICROSCOPY (3.79 Å) 主引用文献 Networks of HIV-1 Envelope Glycans Maintain Antibody Epitopes in the Face of Glycan Additions and Deletions. Structure, 28, 2020
6EHX	scFv AbVance: increasing our knowledge of antibody structural space to enable faster and better decision making in drug discovery 分子名称: scFv AbVance: increasing our knowledge of antibody structural space to enable faster and better decision making in drug discovery 著者 Hargreaves, D. 登録日 2017-09-15 公開日 2017-11-08 最終更新日 2019-10-16 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 scFv AbVance: increasing our knowledge of antibody structural space to enable faster and better decision making in drug discovery To Be Published
6B9U	Crystal structure of 3-ketoacyl-(acyl-carrier-protein) reductase from Brucella melitensis complexed with NADH 分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, DNA gyrase, subunit B:Short-chain dehydrogenase/reductase SDR:Glucose/ribitol dehydrogenase 著者 Seattle Structural Genomics Center for Infectious Disease (SSGCID) 登録日 2017-10-11 公開日 2017-10-25 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Crystal structure of 3-ketoacyl-(acyl-carrier-protein) reductase from Brucella melitensis complexed with NADH To Be Published
6ELN	Estimation of relative drug-target residence times by random acceleration molecular dynamics simulation 分子名称: 4-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]benzene-1,3-diol, Heat shock protein HSP 90-alpha, SULFATE ION 著者 Musil, D, Lehmann, M, Eggenweiler, H.-M. 登録日 2017-09-29 公開日 2018-05-30 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Estimation of Drug-Target Residence Times by tau-Random Acceleration Molecular Dynamics Simulations. J Chem Theory Comput, 14, 2018
5J70	The Chd1 DNA-binding domain in complex with 17mer DNA duplex 分子名称: Chromo domain-containing protein 1, DNA (5'-D(*CP*GP*CP*TP*GP*GP*AP*AP*AP*TP*TP*TP*CP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*GP*AP*AP*AP*TP*TP*TP*CP*CP*AP*GP*CP*G)-3') 著者 Bowman, G.D, Jenkins, K.R, Hauk, G. 登録日 2016-04-05 公開日 2017-06-21 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.956 Å) 主引用文献 Chd1 domains communicate across the DNA gyres of the nucleosome To Be Published
6EMN	HtxB from Pseudomonas stutzeri in complex with phosphite to 1.25 A resolution 分子名称: 1,2-ETHANEDIOL, MAGNESIUM ION, Probable phosphite transport system-binding protein HtxB, ... 著者 Bisson, C, Robertson, A.J, Hitchcock, A, Adams, N.B. 登録日 2017-10-03 公開日 2019-04-17 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.25 Å) 主引用文献 Phosphite binding by the HtxB periplasmic binding protein depends on the protonation state of the ligand. Sci Rep, 9, 2019
6EO9	Crystal structure of thrombin in complex with a novel glucose-conjugated potent inhibitor 分子名称: DIMETHYL SULFOXIDE, Hirudin variant-2, N-(2-{[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methoxy}-6-{3-[(2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl)oxy]propoxy}phenyl)-1-(propan-2-yl)piperidine-4-carboxamide, ... 著者 Belviso, B.D, Caliandro, R, Aresta, B.M, De Candia, M, Altomare, C.D. 登録日 2017-10-09 公開日 2017-12-13 最終更新日 2019-10-16 実験手法 X-RAY DIFFRACTION (1.84 Å) 主引用文献 How a beta-D-glucoside side chain enhances binding affinity to thrombin of inhibitors bearing 2-chlorothiophene as P1 moiety: crystallography, fragment deconstruction study, and evaluation of antithrombotic properties. J. Med. Chem., 57, 2014
5J7G	Structure of MDM2 with low molecular weight inhibitor with aliphatic linker. 分子名称: 4-({6-[(6-chloro-3-{1-[(4-chlorophenyl)methyl]-4-(4-fluorophenyl)-1H-imidazol-5-yl}-1H-indole-2-carbonyl)oxy]hexyl}amino)-4-oxobutanoic acid, E3 ubiquitin-protein ligase Mdm2 著者 Twarda-Clapa, A, Kubica, K, Guzik, K, Dubin, G, Holak, T.A. 登録日 2016-04-06 公開日 2017-05-17 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 1,4,5-Trisubstituted Imidazole-Based p53-MDM2/MDMX Antagonists with Aliphatic Linkers for Conjugation with Biological Carriers. J. Med. Chem., 60, 2017
6PG2	Crystal Structure of EcDsbA in a complex with unpurified reaction product H5 (morpholine 8) 分子名称: 2-methyl-4-{4-[2-(morpholin-4-yl)-2-oxoethyl]phenoxy}benzonitrile, COPPER (II) ION, Thiol:disulfide interchange protein DsbA 著者 Ilyichova, O.V, Bentley, M, Doak, B, Scanlon, M.J. 登録日 2019-06-23 公開日 2020-05-06 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.91 Å) 主引用文献 Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiL X ). J.Med.Chem., 63, 2020
6ELO	Estimation of relative drug-target residence times by random acceleration molecular dynamics simulation 分子名称: 4-ethyl-6-[4-(2-fluorophenyl)-3-methyl-1~{H}-pyrazol-5-yl]benzene-1,3-diol, Heat shock protein HSP 90-alpha 著者 Musil, D, Lehmann, M, Eggenweiler, H.-M. 登録日 2017-09-29 公開日 2018-05-30 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Estimation of Drug-Target Residence Times by tau-Random Acceleration Molecular Dynamics Simulations. J Chem Theory Comput, 14, 2018
6ANL	Structure-based Design, Synthesis, and Biological Evaluation of Imidazo[1,2-b]pyridazine-based p38 MAP Kinase Inhibitors 分子名称: Mitogen-activated protein kinase 14, TAK-715 著者 Snell, G.P, Okada, K, Bragstad, K, Sang, B.-C. 登録日 2017-08-14 公開日 2018-01-17 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Structure-based design, synthesis, and biological evaluation of imidazo[1,2-b]pyridazine-based p38 MAP kinase inhibitors. Bioorg. Med. Chem., 26, 2018
6PJ5	Time-resolved structural snapshot of proteolysis by GlpG inside the membrane 分子名称: Peptide aldehyde inhibitor, Rhomboid protease GlpG 著者 Urban, S, Cho, S. 登録日 2019-06-27 公開日 2019-10-02 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Ten catalytic snapshots of rhomboid intramembrane proteolysis from gate opening to peptide release. Nat.Struct.Mol.Biol., 26, 2019
6EMG	Crystal structure of Rrp1 from Chaetomium thermophilum in space group P6322 分子名称: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, G0S4M2, ... 著者 Ahmed, Y.L, Sinning, I. 登録日 2017-10-02 公開日 2017-12-27 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (2.24 Å) 主引用文献 Visualizing the Assembly Pathway of Nucleolar Pre-60S Ribosomes. Cell, 171, 2017

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