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

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6QAG	ERK2 mini-fragment binding 分子名称: 1~{H}-1,2,3-triazole, Mitogen-activated protein kinase 1, SULFATE ION 著者 O'Reilly, M, Cleasby, A, Davies, T.G, Hall, R, Ludlow, F, Murray, C.W, Tisi, D, Jhoti, H. 登録日 2018-12-19 公開日 2019-03-27 最終更新日 2019-05-22 実験手法 X-RAY DIFFRACTION (2.07 Å) 主引用文献 Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design. Drug Discov Today, 24, 2019
8SM3	Structure of Bacillus cereus VD045 Gabija GajA-GajB Complex 分子名称: Endonuclease GajA, Gabija protein GajB, SULFATE ION 著者 Antine, S.P, Mooney, S.E, Johnson, A.G, Kranzusch, P.J. 登録日 2023-04-25 公開日 2023-11-22 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (3 Å) 主引用文献 Structural basis of Gabija anti-phage defence and viral immune evasion. Nature, 625, 2024
6HT2	STRUCTURE OF HEWL BY ELECTRON DIFFRACTION AND MICROFOCUS DIFFRACTION 分子名称: CHLORIDE ION, Lysozyme C 著者 Garau, G. 登録日 2018-10-02 公開日 2019-01-23 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Nanobeam precession-assisted 3D electron diffraction reveals a new polymorph of hen egg-white lysozyme. Iucrj, 6, 2019
6YRS	Structure of a new variant of GNCA ancestral beta-lactamase 分子名称: 1,2-ETHANEDIOL, ACETATE ION, DI(HYDROXYETHYL)ETHER, ... 著者 Gavira, J.A, Risso, V, Martinez-Rodriguez, S, Sanchez-Ruiz, J.M, Modi, T, Ozkan, S.B. 登録日 2020-04-20 公開日 2021-03-03 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Hinge-shift mechanism as a protein design principle for the evolution of beta-lactamases from substrate promiscuity to specificity. Nat Commun, 12, 2021
6QAT	Crystal structure of ULK2 in complexed with hesperadin 分子名称: N-{(3Z)-2-oxo-3-[phenyl({4-[(piperidin-1-yl)methyl]phenyl}amino)methylidene]-2,3-dihydro-1H-indol-5-yl}ethanesulfonamide, Serine/threonine-protein kinase ULK2 著者 Chaikuad, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium, Structural Genomics Consortium (SGC) 登録日 2018-12-19 公開日 2019-02-27 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.77 Å) 主引用文献 Conservation of structure, function and inhibitor binding in UNC-51-like kinase 1 and 2 (ULK1/2). Biochem.J., 476, 2019
7KLX	Protein Tyrosine Phosphatase 1B with inhibitor 分子名称: 2-(2,5-dimethyl-1H-pyrrol-1-yl)-5-hydroxybenzoic acid, MAGNESIUM ION, Tyrosine-protein phosphatase non-receptor type 1 著者 Battaile, K.P, Chirgadze, Y, Ruzanov, M, Romanov, V, Lam, K, Gordon, R, Lin, A, Lam, R, Pai, E, Chirgadze, N. 登録日 2020-11-01 公開日 2022-01-19 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.839 Å) 主引用文献 Signal transfer in human protein tyrosine phosphatase PTP1B from allosteric inhibitor P00058. J.Biomol.Struct.Dyn., 2021
5FC8	Mouse importin alpha: Dengue 3 NS5 C-terminal NLS peptide complex 分子名称: Importin subunit alpha-1, Nonstructural protein 5 著者 Smith, K.M, Forwood, J.K. 登録日 2015-12-15 公開日 2016-05-18 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 The C-terminal 18 Amino Acid Region of Dengue Virus NS5 Regulates its Subcellular Localization and Contains a Conserved Arginine Residue Essential for Infectious Virus Production. PLoS Pathog., 12, 2016
6CPB	Crystal structure of the heme domain of CooA from Carboxydothermus hydrogenoformans 分子名称: Carbon monoxide oxidation system transcription regulator CooA-1, GLYCEROL, SULFATE ION 著者 Tripathi, S.M, Poulos, T.L. 登録日 2018-03-13 公開日 2018-05-16 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.155 Å) 主引用文献 Testing the N-Terminal Velcro Model of CooA Carbon Monoxide Activation. Biochemistry, 57, 2018
6Q3B	CDK2 in complex with FragLite2 分子名称: 4-IODOPYRAZOLE, Cyclin-dependent kinase 2 著者 Wood, D.J, Martin, M.P, Noble, M.E.M. 登録日 2018-12-04 公開日 2019-03-20 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.11 Å) 主引用文献 FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation. J.Med.Chem., 62, 2019
6YMZ	Structure of the CheB methylsterase from P. atrosepticum SCRI1043 分子名称: ACETATE ION, GLYCEROL, Protein-glutamate methylesterase/protein-glutamine glutaminase, ... 著者 Gavira, J.A, Krell, T, Velando-Soriano, F, Matilla, M.A. 登録日 2020-04-10 公開日 2021-02-17 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Evidence for Pentapeptide-Dependent and Independent CheB Methylesterases. Int J Mol Sci, 21, 2020
7QFZ	BrxR, a WYL-domain containing transcriptional regulator 分子名称: SULFATE ION, WYL domain-containing protein 著者 Picton, D.M, Blower, T.R. 登録日 2021-12-07 公開日 2022-05-18 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (2.15 Å) 主引用文献 A widespread family of WYL-domain transcriptional regulators co-localizes with diverse phage defence systems and islands. Nucleic Acids Res., 50, 2022
8AEU	Structure of hMDM2 in complex with Nutlin-3a-aa 分子名称: 4-[[(4~{S},5~{R})-4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxy-phenyl)-4,5-dihydroimidazol-1-yl]carbonyl]-3-methylidene-piperazin-2-one, BETA-MERCAPTOETHANOL, E3 ubiquitin-protein ligase Mdm2 著者 Labuzek, B, Golik, P, Magiera-Mularz, K, Berg, T. 登録日 2022-07-13 公開日 2023-01-18 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Nutlin-3a-aa: Improving the Bioactivity of a p53/MDM2 Interaction Inhibitor by Introducing a Solvent-Exposed Methylene Group. Chembiochem, 24, 2023
6CPN	Crystal structure of DR11 presenting the RQ13 peptide 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, Gag polyprotein, ... 著者 Farenc, C, Gras, S, Rossjohn, J. 登録日 2018-03-13 公開日 2018-06-06 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 CD4+T cell-mediated HLA class II cross-restriction in HIV controllers. Sci Immunol, 3, 2018
6YPO	Arabidopsis aspartate transcarbamoylase bound to UMP 分子名称: GLYCEROL, PYRB, URIDINE-5'-MONOPHOSPHATE 著者 Ramon Maiques, S, Del Cano Ochoa, F, Bellin, L, Mohlmann, T. 登録日 2020-04-16 公開日 2021-03-03 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.67 Å) 主引用文献 Mechanisms of feedback inhibition and sequential firing of active sites in plant aspartate transcarbamoylase. Nat Commun, 12, 2021
6HTN	Structure of a fucose lectin from Kordia zhangzhouensis in complex with methyl-fucoside 分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, 1,2-ETHANEDIOL, 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, ... 著者 Varrot, A. 登録日 2018-10-04 公開日 2019-01-23 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (1.55 Å) 主引用文献 Architecture and Evolution of Blade Assembly in beta-propeller Lectins. Structure, 27, 2019
5VXG	Crystal structure of Xanthomonas campestris OleA E117Q bound with Cerulenin 分子名称: (2S, 3R)-3-HYDROXY-4-OXO-7,10-TRANS,TRANS-DODECADIENAMIDE, 3-oxoacyl-[ACP] synthase III, ... 著者 Jensen, M.R, Wilmot, C.M. 登録日 2017-05-23 公開日 2017-10-25 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (2.07 Å) 主引用文献 OleA Glu117 is key to condensation of two fatty-acyl coenzyme A substrates in long-chain olefin biosynthesis. Biochem. J., 474, 2017
7QF1	Crystal structure of the SARS-CoV-2 RBD in complex with the human antibody CV2.6264 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CV2.6264 heavy chain, CV2.6264 light chain, ... 著者 Fernandez, I, Pederzoli, R, Rey, F.A. 登録日 2021-12-03 公開日 2022-05-18 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 Potent human broadly SARS-CoV-2-neutralizing IgA and IgG antibodies effective against Omicron BA.1 and BA.2. J.Exp.Med., 219, 2022
6H9F	Structure of glutamate mutase reconstituted with bishomo-coenzyme B12 分子名称: (2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-propyl-oxolane-3,4-diol, COBALAMIN, D(-)-TARTARIC ACID, ... 著者 Gruber, K, Csitkovits, V, Kratky, C. 登録日 2018-08-03 公開日 2019-08-14 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Structure-Based Demystification of Radical Catalysis by a Coenzyme B 12 Dependent Enzyme-Crystallographic Study of Glutamate Mutase with Cofactor Homologues. Angew.Chem.Int.Ed.Engl., 61, 2022
8AUD	Structure of peptidoglycan hydrolase Cg1735 from Corynebacterium glutamicum, orthorhombic crystal form 分子名称: Cell wall-associated hydrolases (Invasion-associated proteins) 著者 Gaday, Q, Wehenkel, A.M, Alzari, P.M. 登録日 2022-08-25 公開日 2023-01-18 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (4.5 Å) 主引用文献 FtsEX-independent control of RipA-mediated cell separation in Corynebacteriales. Proc.Natl.Acad.Sci.USA, 119, 2022
5VDS	Human cyclic GMP-AMP synthase (cGAS) in complex with 3',3'-cdUMP 分子名称: 3',3'-cdUMP, Cyclic GMP-AMP synthase, ZINC ION 著者 Byrnes, L.J, Hall, J.D. 登録日 2017-04-03 公開日 2017-09-27 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.766 Å) 主引用文献 The catalytic mechanism of cyclic GMP-AMP synthase (cGAS) and implications for innate immunity and inhibition. Protein Sci., 26, 2017
7QPN	Crystal Structure of Phosphatidylinositol 5-Phosphate 4-Kinase (PI5P4K2C) bound to an allosteric inhibitor and AMP-PNP 分子名称: 5-methyl-2-(2-propan-2-ylphenyl)-~{N}-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Phosphatidylinositol 5-Phosphate 4-Kinase (PI5P4K2C) 著者 Howard, T.D, Ogg, D.T. 登録日 2022-01-05 公開日 2022-05-18 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Development of Selective Phosphatidylinositol 5-Phosphate 4-Kinase gamma Inhibitors with a Non-ATP-competitive, Allosteric Binding Mode. J.Med.Chem., 65, 2022
8SMJ	Chimeric ETS-domain of murine PU.1 harboring the corresponding beta-strand 3 (S3) residues from murine Ets-1 in complex with d(AATAAGCGGAATGGGG) 分子名称: DNA (5'-D(*AP*AP*TP*AP*AP*GP*CP*GP*GP*AP*AP*TP*GP*GP*GP*G)-3'), DNA (5'-D(*TP*CP*CP*CP*CP*AP*TP*TP*CP*CP*GP*CP*TP*TP*AP*T)-3'), Transcription factor PU.1 著者 Terrell, J.R, Poon, G.M.K. 登録日 2023-04-26 公開日 2023-11-29 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.39 Å) 主引用文献 Dissection of integrated readout reveals the structural thermodynamics of DNA selection by transcription factors. Structure, 32, 2024
6H87	MamM CTD D249N - Zinc form 分子名称: BETA-MERCAPTOETHANOL, CARBON DIOXIDE, Magnetosome protein MamM, ... 著者 Barber-Zucker, S, Zarivach, R. 登録日 2018-08-02 公開日 2019-08-14 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 MamM CTD D249N - Zinc form To Be Published
6CQ6	K2P2.1(TREK-1) apo structure 分子名称: CADMIUM ION, DECANE, POTASSIUM ION, ... 著者 Lolicato, M, Minor, D.L. 登録日 2018-03-14 公開日 2018-03-28 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (3.1 Å) 主引用文献 K2P2.1 (TREK-1)-activator complexes reveal a cryptic selectivity filter binding site. Nature, 547, 2017
7QIE	Crystal Structure of Phosphatidylinositol 5-Phosphate 4-Kinase (PI5P4K2C) bound to an allosteric inhibitor 分子名称: 5-methyl-2-(2-propan-2-ylphenyl)-~{N}-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine, Phosphatidylinositol 5-phosphate 4-kinase type-2 gamma 著者 Howard, T.D, Ogg, D.T. 登録日 2021-12-14 公開日 2022-05-18 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.39 Å) 主引用文献 Development of Selective Phosphatidylinositol 5-Phosphate 4-Kinase gamma Inhibitors with a Non-ATP-competitive, Allosteric Binding Mode. J.Med.Chem., 65, 2022

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