PDB: 45677 件ウェブページステータス検索Chemie searchBIRD

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5FUH	Pseudomonas aeruginosa RmlA in complex with allosteric inhibitor 分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFERASE, ... 著者 Alphey, M.S, Tran, F, Westwood, N.J, Naismith, J.H. 登録日 2016-01-27 公開日 2017-02-22 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Allosteric Competitive Inhibitors of the Glucose-1-Phosphate Thymidylyltransferase (Rmla) from Pseudomonas Aeruginosa. To be Published
6N0R	Crystal structure of Tdp1 catalytic domain in complex with compound XZ572 分子名称: 1,2-ETHANEDIOL, 4-(methylamino)benzene-1,2-dicarboxylic acid, DIMETHYL SULFOXIDE, ... 著者 Lountos, G.T, Zhao, X.Z, Kiselev, E, Tropea, J.E, Needle, D, Burke Jr, T.R, Pommier, Y, Waugh, D.S. 登録日 2018-11-07 公開日 2019-11-13 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.544 Å) 主引用文献 Crystal structure of Tdp1 catalytic domain To Be Published
4RZ3	Crystal structure of the MinD-like ATPase FlhG 分子名称: ADENOSINE-5'-DIPHOSPHATE, Site-determining protein 著者 Schuhmacher, J.S, Bange, G. 登録日 2014-12-18 公開日 2015-03-04 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 MinD-like ATPase FlhG effects location and number of bacterial flagella during C-ring assembly. Proc.Natl.Acad.Sci.USA, 112, 2015
7ZRQ	1.68 Angstrom crystal structure of Ca/CaM-E140G:CaMKIIdelta peptide complex 分子名称: CALCIUM ION, Calcium/calmodulin-dependent protein kinase type II subunit delta, Calmodulin-1, ... 著者 Helassa, N, Antonyuk, S. 登録日 2022-05-04 公開日 2022-12-28 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.68 Å) 主引用文献 Calmodulin variant E140G associated with long QT syndrome impairs CaMKII delta autophosphorylation and L-type calcium channel inactivation. J.Biol.Chem., 299, 2022
6Q4A	CDK2 in complex with FragLite14 分子名称: 5-iodanylpyrimidine, CYCLIN-DEPENDENT KINASE 2 著者 Wood, D.J, Martin, M.P, Noble, M.E.M. 登録日 2018-12-05 公開日 2019-03-20 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.13 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
6Q4I	CDK2 in complex with FragLite35 分子名称: 2-[4-[(2-oxidanylidene-3~{H}-pyridin-4-yl)oxy]phenyl]ethanoic acid, Cyclin-dependent kinase 2, DIMETHYL SULFOXIDE 著者 Wood, D.J, Martin, M.P, Noble, M.E.M. 登録日 2018-12-05 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
6Q4C	CDK2 in complex with FragLite16 分子名称: 4-bromanyl-1,8-naphthyridine, Cyclin-dependent kinase 2 著者 Wood, D.J, Martin, M.P, Noble, M.E.M. 登録日 2018-12-05 公開日 2019-03-20 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.73 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
6Q4F	CDK2 in complex with FragLite32 分子名称: Cyclin-dependent kinase 2, PYRIDINE-2,6-DIAMINE 著者 Wood, D.J, Martin, M.P, Noble, M.E.M. 登録日 2018-12-05 公開日 2019-03-20 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.21 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
6FX3	crystal structure of Pholiota squarrosa lectin in complex with a dodecasaccharide 分子名称: N-acetyl-alpha-neuraminic acid-(2-6)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]1-azido-beta-N-acetyl-D-glucosamine, N-acetyl-alpha-neuraminic acid-(2-6)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]1-azido-beta-N-acetyl-D-glucosamine, lectin 著者 Cabanettes, A, Varrot, A. 登録日 2018-03-08 公開日 2018-07-11 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Recognition of Complex Core-Fucosylated N-Glycans by a Mini Lectin. Angew. Chem. Int. Ed. Engl., 57, 2018
4RKH	Structure of the MSL2 CXC domain bound with a specific MRE sequence 分子名称: DNA (5'-D(*AP*TP*CP*CP*AP*TP*CP*TP*CP*GP*CP*TP*CP*AP*T)-3'), DNA (5'-D(*AP*TP*GP*AP*GP*CP*GP*AP*GP*AP*TP*GP*GP*AP*T)-3'), E3 ubiquitin-protein ligase msl-2, ... 著者 Zheng, S, Ye, K. 登録日 2014-10-13 公開日 2015-01-21 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Structural basis of X chromosome DNA recognition by the MSL2 CXC domain during Drosophila dosage compensation. Genes Dev., 28, 2014
6Q57	X-ray crystal structure of the tetrahydrofolate riboswitch aptamer bound to 5-deazatetrahydropterin 分子名称: 5-deazatetrahydropterin, MAGNESIUM ION, tetrahydrofolate riboswitch aptamer 著者 Dunstan, M.S. 登録日 2018-12-07 公開日 2019-12-18 最終更新日 2024-05-15 実験手法 X-RAY DIFFRACTION (2.72 Å) 主引用文献 Tetrahydrofolate Riboswitches Provide Distinct Genetic Outputs to Synthetic and Natural Signals. To Be Published
6N4Q	CryoEM structure of Nav1.7 VSD2 (actived state) in complex with the gating modifier toxin ProTx2 分子名称: Beta/omega-theraphotoxin-Tp2a, Fab heavy chain, Fab light chain, ... 著者 Xu, H, Rohou, A, Arthur, C.P, Estevez, A, Ciferri, C, Payandeh, J, Koth, C.M. 登録日 2018-11-20 公開日 2019-01-23 最終更新日 2019-12-18 実験手法 ELECTRON MICROSCOPY (3.6 Å) 主引用文献 Structural Basis of Nav1.7 Inhibition by a Gating-Modifier Spider Toxin. Cell, 176, 2019
5FRQ	Crystal Structure of Helicobacter pylori beta clamp bound to DNA ligase peptide 分子名称: DNA LIGASE, DNA POLYMERASE III SUBUNIT BETA 著者 Pandey, P, Gourinath, S. 登録日 2015-12-21 公開日 2016-08-17 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.9 Å) 主引用文献 Structural Insight Into Beta-Clamp and its Interaction with DNA Ligase in Helicobacter Pylori Sci.Rep., 6, 2016
6G6K	The crystal structures of Human MYC:MAX bHLHZip complex 分子名称: CHLORIDE ION, Myc proto-oncogene protein, Protein max 著者 Allen, M.D, Zinzalla, G. 登録日 2018-04-01 公開日 2019-04-10 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (1.35 Å) 主引用文献 Crystal Structures and Nuclear Magnetic Resonance Studies of the Apo Form of the c-MYC:MAX bHLHZip Complex Reveal a Helical Basic Region in the Absence of DNA. Biochemistry, 58, 2019
6N0B	Structure of GTPase Domain of Human Septin 7 at High Resolution 分子名称: GUANOSINE-5'-DIPHOSPHATE, Septin-7 著者 Brognara, G, Pereira, H.M, Brandao-Neto, J, Araujo, A.P.U, Garratt, R.C. 登録日 2018-11-07 公開日 2019-05-01 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.739 Å) 主引用文献 Revisiting SEPT7 and the slippage of beta-strands in the septin family. J.Struct.Biol., 207, 2019
6G8W	Crystal Structures of the Single PDZ Domains from GRASP65 and their Interaction with the Golgin GM130 分子名称: 1,2-ETHANEDIOL, Golgi reassembly-stacking protein 1 著者 Jurk, C.M, Roske, Y, Heinemann, U. 登録日 2018-04-10 公開日 2019-04-24 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.12 Å) 主引用文献 Crystal Structures of the Single PDZ Domains from GRASP65 and their Interaction with the Golgin GM130 Croatica Chemica Acta, 2018
6QDD	Leishmania major N-myristoyltransferase in complex with thienopyrimidine inhibitor IMP-0000105 分子名称: 2-[(2~{S})-1-[2-[methyl-(1-methylpiperidin-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]-2,3-dihydropyrrol-2-yl]ethanenitrile, DIMETHYL SULFOXIDE, Glycylpeptide N-tetradecanoyltransferase, ... 著者 Brannigan, J.A. 登録日 2019-01-01 公開日 2020-05-06 最終更新日 2024-05-15 実験手法 X-RAY DIFFRACTION (1.65 Å) 主引用文献 Novel Thienopyrimidine Inhibitors of Leishmania N -Myristoyltransferase with On-Target Activity in Intracellular Amastigotes. J.Med.Chem., 63, 2020
6QDC	Leishmania major N-myristoyltransferase in complex with thienopyrimidine inhibitor IMP-0000101 分子名称: 3-[[2-[(1-ethylpiperidin-4-yl)-methyl-amino]thieno[3,2-d]pyrimidin-4-yl]-methyl-amino]propanenitrile, Glycylpeptide N-tetradecanoyltransferase, MAGNESIUM ION, ... 著者 Brannigan, J.A. 登録日 2019-01-01 公開日 2020-05-06 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.4 Å) 主引用文献 Novel Thienopyrimidine Inhibitors of Leishmania N -Myristoyltransferase with On-Target Activity in Intracellular Amastigotes. J.Med.Chem., 63, 2020
6N8I	RNA Duplex containing the internal loop 5'-UUCG/3'-GCUU 分子名称: RNA (5'-R(*CP*GP*CP*AP*UP*UP*CP*GP*AP*CP*GP*C)-3'), RNA (5'-R(*GP*CP*GP*UP*UP*UP*CP*GP*UP*GP*CP*G)-3') 著者 Berger, K.D, Kennedy, S.D, Turner, D.H. 登録日 2018-11-29 公開日 2019-02-13 最終更新日 2024-05-01 実験手法 SOLUTION NMR 主引用文献 Nuclear Magnetic Resonance Reveals That GU Base Pairs Flanking Internal Loops Can Adopt Diverse Structures. Biochemistry, 58, 2019
6N2K	Tetrahydropyridopyrimidines as Covalent Inhibitors of KRAS-G12C 分子名称: 1-{4-[2-{[(2R)-1-(dimethylamino)propan-2-yl]oxy}-7-(3-hydroxynaphthalen-1-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl}propan-1-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... 著者 Vigers, G.P. 登録日 2018-11-13 公開日 2018-12-12 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.72 Å) 主引用文献 Discovery of Tetrahydropyridopyrimidines as Irreversible Covalent Inhibitors of KRAS-G12C with In Vivo Activity. ACS Med Chem Lett, 9, 2018
7ZPC	CDK2 in complex 9K-DOS 分子名称: Cyclin-dependent kinase 2, ~{N}-(1-methylpyrazol-4-yl)-5-phenyl-pyrazolo[1,5-a]pyrimidine-7-carboxamide 著者 Watt, J.E, Martin, M.P, Noble, M.E.N. 登録日 2022-04-27 公開日 2023-02-01 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (1.4 Å) 主引用文献 Build-Couple-Transform: A Paradigm for Lead-like Library Synthesis with Scaffold Diversity. J.Med.Chem., 65, 2022
6QGG	Structure of human Bcl-2 in complex with analogue of ABT-737 分子名称: Apoptosis regulator Bcl-2,Bcl-2-like protein 1,Apoptosis regulator Bcl-2,Bcl-2-like protein 1, [(3~{R})-3-[[4-[[4-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]phenyl]carbonylsulfamoyl]-2-nitro-phenyl]amino]-4-phenylsulfanyl-butyl]-(2-hydroxy-2-oxoethyl)-dimethyl-azanium 著者 Dokurno, P, Murray, J, Davidson, J, Chen, I, Davis, B, Graham, C.J, Harris, R, Jordan, A.M, Matassova, N, Pedder, C, Ray, S, Roughley, S, Smith, J, Walmsley, C, Wang, Y, Whitehead, N, Williamson, D.S, Casara, P, Le Diguarher, T, Hickman, J, Stark, J, Kotschy, A, Geneste, O, Hubbard, R.E. 登録日 2019-01-11 公開日 2019-06-12 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Establishing Drug Discovery and Identification of Hit Series for the Anti-apoptotic Proteins, Bcl-2 and Mcl-1. Acs Omega, 4, 2019
6MVK	HCV NS5B 1b N316 bound to Compound 18 分子名称: (4-{(4S)-3-[5-cyclopropyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-6-yl]-2-oxo-1,3-oxazolidin-4-yl}-2-fluorophenyl)boronic acid, HCV Polymerase 著者 Williams, S.P, Kahler, K, Price, D.J, Peat, A.J. 登録日 2018-10-26 公開日 2019-09-04 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Design of N-Benzoxaborole Benzofuran GSK8175-Optimization of Human Pharmacokinetics Inspired by Metabolites of a Failed Clinical HCV Inhibitor. J.Med.Chem., 62, 2019
8WZU	4-hydroxybutyryl-CoA Synthetase (ADP-forming) from Nitrosopumilus maritimus. 分子名称: 4-hydroxybutyrate--CoA ligase [ADP-forming], SULFATE ION 著者 Johnson, J, Demirci, H. 登録日 2023-11-02 公開日 2024-06-12 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 Crystal Structure of 4-hydroxybutyryl CoA synthetase (ADP-forming): A Key Enzyme in the Thaumarchaeal Hydroxypropionate/Hydroxybutyrate cycle. To Be Published
4S28	Crystal structure of Arabidopsis thaliana ThiC with bound aminoimidazole ribonucleotide, S-adenosylhomocysteine, Fe4S4 cluster and Fe 分子名称: 1,4-BUTANEDIOL, 5-AMINOIMIDAZOLE RIBONUCLEOTIDE, CHLORIDE ION, ... 著者 Fenwick, M.K, Mehta, A.P, Zhang, Y, Abdelwahed, S, Begley, T.P, Ealick, S.E. 登録日 2015-01-19 公開日 2015-04-08 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.25 Å) 主引用文献 Non-canonical active site architecture of the radical SAM thiamin pyrimidine synthase. Nat Commun, 6

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