PDB: 10530 件ウェブページステータス検索Chemie searchBIRD

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5NBJ	DLS Tetragonal - ReHEWL 分子名称: CHLORIDE ION, Lysozyme C, RHENIUM, ... 著者 Brink, A, Helliwell, J.R. 登録日 2017-03-02 公開日 2017-05-10 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.266 Å) 主引用文献 New leads for fragment-based design of rhenium/technetium radiopharmaceutical agents. IUCrJ, 4, 2017
4TQN	Crystal structure of the bromodomain of human CREBBP in complex with UL04 分子名称: 1,2-ETHANEDIOL, 3-[(5-acetyl-2-ethoxyphenyl)carbamoyl]benzoic acid, CREB-binding protein 著者 Dong, J, Caflisch, A. 登録日 2014-06-11 公開日 2015-06-24 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Discovery of CREBBP Bromodomain Inhibitors by High-Throughput Docking and Hit Optimization Guided by Molecular Dynamics. J.Med.Chem., 59, 2016
3EPT	Structure of the rebeccamycin biosynthetic enzyme RebC with reduced flavin 分子名称: DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, RebC, SODIUM ION 著者 Ryan, K.S, Drennan, C.L. 登録日 2008-09-30 公開日 2008-12-09 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2.97 Å) 主引用文献 The FAD cofactor of RebC shifts to an IN conformation upon flavin reduction Biochemistry, 47, 2008
8ZNB	Cryo-EM structure of W89F mutated Glutamate dehydrogenase from Thermococcus profundus incorporating NADPH in the steady stage of reaction 分子名称: Glutamate dehydrogenase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE 著者 Wakabayashi, T, Nakasako, M. 登録日 2024-05-26 公開日 2024-06-12 実験手法 ELECTRON MICROSCOPY (2.53 Å) 主引用文献 Mechanism for drastic reduction in catalytic activity of Trp89Phe-mutated glutamate dehydrogenase revealed by crystal structure and cryoEM-sampling of metastable conformation in action To Be Published
9EXY	Crystal structure of the PWWP1 domain of NSD2 bound by compound 34. 分子名称: 7-[5-methyl-3-[2-methyl-5-(piperidin-1-ylmethyl)phenyl]-1,2-oxazol-4-yl]-4~{H}-1,4-benzoxazin-3-one, Histone-lysine N-methyltransferase NSD2 著者 Collie, G.W. 登録日 2024-04-09 公開日 2024-05-29 最終更新日 2024-06-19 実験手法 X-RAY DIFFRACTION (1.699 Å) 主引用文献 Identification of Novel Potent NSD2-PWWP1 Ligands Using Structure-Based Design and Computational Approaches. J.Med.Chem., 67, 2024
8OIV	Monkeypox virus VP39 in complex with SAH and cap0 分子名称: 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE-5'-GUANOSINE, Cap-specific mRNA (nucleoside-2'-O-)-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE, ... 著者 Skvara, P, Chalupska, D, Silhan, J, Klima, M, Boura, E. 登録日 2023-03-23 公開日 2023-08-23 実験手法 X-RAY DIFFRACTION (2.12 Å) 主引用文献 Structural basis for RNA-cap recognition and methylation by the mpox methyltransferase VP39. Antiviral Res., 216, 2023
9EXW	Crystal structure of the PWWP1 domain of NSD2 bound by compound 17. 分子名称: 1,2-ETHANEDIOL, 7-[3-methyl-5-[2-methyl-5-[(pyridin-3-ylamino)methyl]phenyl]imidazol-4-yl]-4~{H}-1,4-benzoxazin-3-one, Histone-lysine N-methyltransferase NSD2 著者 Collie, G.W. 登録日 2024-04-09 公開日 2024-05-29 最終更新日 2024-06-19 実験手法 X-RAY DIFFRACTION (2.43 Å) 主引用文献 Identification of Novel Potent NSD2-PWWP1 Ligands Using Structure-Based Design and Computational Approaches. J.Med.Chem., 67, 2024
9F9M	Crystal structure of MUS81-EME1 bound by compound 21. 分子名称: 5-oxidanyl-4-oxidanylidene-1-(4-piperazin-1-ylphenyl)pyridine-3-carboxylic acid, Crossover junction endonuclease EME1, Crossover junction endonuclease MUS81, ... 著者 Collie, G.W. 登録日 2024-05-08 公開日 2024-06-19 実験手法 X-RAY DIFFRACTION (2.469 Å) 主引用文献 Fragment-Based Discovery of Novel MUS81 Inhibitors Acs Med.Chem.Lett., 2024
8XAV	Cryo-EM structure of an anti-phage defense complex 分子名称: ATP-binding protein, DUF4297 著者 Wang, Y, Deng, Z. 登録日 2023-12-05 公開日 2024-06-05 最終更新日 2024-07-10 実験手法 ELECTRON MICROSCOPY (2.87 Å) 主引用文献 Molecular and structural basis of an ATPase-nuclease dual-enzyme anti-phage defense complex. Cell Res., 2024
9F98	Crystal structure of MUS81-EME1, apo form. 分子名称: Crossover junction endonuclease EME1, Crossover junction endonuclease MUS81 著者 Collie, G.W. 登録日 2024-05-07 公開日 2024-07-03 実験手法 X-RAY DIFFRACTION (2.15 Å) 主引用文献 Fragment-Based Discovery of Novel MUS81 Inhibitors Acs Med.Chem.Lett., 2024
8ZNC	Cryo-EM structure of W89F mutated Glutamate dehydrogenase from Thermococcus profundus incorporating NADPH, AKG in the steady stage of reaction 分子名称: 2-OXOGLUTARIC ACID, AMMONIUM ION, Glutamate dehydrogenase, ... 著者 Wakabayashi, T, Nakasako, M. 登録日 2024-05-26 公開日 2024-06-12 実験手法 ELECTRON MICROSCOPY (2.41 Å) 主引用文献 Mechanism for drastic reduction in catalytic activity of Trp89Phe-mutated glutamate dehydrogenase revealed by crystal structure and cryoEM-sampling of metastable conformation in action To Be Published
9F9K	Crystal structure of MUS81-EME1 bound by compound 15. 分子名称: 5-oxidanyl-6-oxidanylidene-2-(4-phenylphenyl)-1H-pyrimidine-4-carboxylic acid, Crossover junction endonuclease EME1, Crossover junction endonuclease MUS81, ... 著者 Collie, G.W. 登録日 2024-05-07 公開日 2024-07-03 実験手法 X-RAY DIFFRACTION (2.728 Å) 主引用文献 Fragment-Based Discovery of Novel MUS81 Inhibitors Acs Med.Chem.Lett., 2024
9F99	Crystal structure of MUS81-EME1 bound by compound 10. 分子名称: 2-(4-chlorophenyl)-5-oxidanyl-6-oxidanylidene-1H-pyrimidine-4-carboxylic acid, Crossover junction endonuclease EME1, Crossover junction endonuclease MUS81, ... 著者 Collie, G.W. 登録日 2024-05-07 公開日 2024-06-19 実験手法 X-RAY DIFFRACTION (2.803 Å) 主引用文献 Fragment-Based Discovery of Novel MUS81 Inhibitors Acs Med.Chem.Lett., 2024
8ZND	Cryo-EM structure of W89F mutated Glutamate dehydrogenase from Thermococcus profundus incorporating NADPH and a substrate in the steady stage of reaction 分子名称: Glutamate dehydrogenase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE 著者 Wakabayashi, T, Nakasako, M. 登録日 2024-05-26 公開日 2024-06-12 実験手法 ELECTRON MICROSCOPY (2.53 Å) 主引用文献 Mechanism for drastic reduction in catalytic activity of Trp89Phe-mutated glutamate dehydrogenase revealed by crystal structure and cryoEM-sampling of metastable conformation in action To Be Published
9F9A	Crystal structure of MUS81-EME1 bound by compound 12. 分子名称: 2-naphthalen-2-yl-5-oxidanyl-6-oxidanylidene-1H-pyrimidine-4-carboxylic acid, Crossover junction endonuclease EME1, Crossover junction endonuclease MUS81, ... 著者 Collie, G.W. 登録日 2024-05-07 公開日 2024-06-19 実験手法 X-RAY DIFFRACTION (2.911 Å) 主引用文献 Fragment-Based Discovery of Novel MUS81 Inhibitors Acs Med.Chem.Lett., 2024
8ZNG	Cryo-EM structure of W89F mutated Glutamate dehydrogenase from Thermococcus profundus in complex with NADPH and AKG in the steady stage of reaction 分子名称: 2-OXOGLUTARIC ACID, Glutamate dehydrogenase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE 著者 Wakabayashi, T, Nakasako, M. 登録日 2024-05-26 公開日 2024-06-12 実験手法 ELECTRON MICROSCOPY (2.5 Å) 主引用文献 Mechanism for drastic reduction in catalytic activity of Trp89Phe-mutated glutamate dehydrogenase revealed by crystal structure and cryoEM-sampling of metastable conformation in action To Be Published
9F9L	Crystal structure of MUS81-EME1 bound by compound 16. 分子名称: 2-[2-[4-(cyanomethyl)phenyl]phenyl]-5-oxidanyl-6-oxidanylidene-1H-pyrimidine-4-carboxylic acid, Crossover junction endonuclease EME1, Crossover junction endonuclease MUS81, ... 著者 Collie, G.W. 登録日 2024-05-07 公開日 2024-07-03 実験手法 X-RAY DIFFRACTION (2.02 Å) 主引用文献 Fragment-Based Discovery of Novel MUS81 Inhibitors Acs Med.Chem.Lett., 2024
8ZNE	Cryo-EM structure of W89F mutated Glutamate dehydrogenase from Thermococcus profundus in complex with NADP and GLU in the steady stage of reaction 分子名称: GLUTAMIC ACID, Glutamate dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE 著者 Wakabayashi, T, Nakasako, M. 登録日 2024-05-26 公開日 2024-06-26 実験手法 ELECTRON MICROSCOPY (2.64 Å) 主引用文献 Mechanism for drastic reduction in catalytic activity of Trp89Phe-mutated glutamate dehydrogenase revealed by cryoEM-sampling metastable conformation in action To Be Published
8G6U	Cryo-EM structure of T/F100 SOSIP.664 HIV-1 Env trimer with LMHS mutations in complex with 8ANC195 and 10-1074 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, CRF-1_AE T/F100 HIV-1 gp41, ... 著者 Chen, Y, Zhou, F, Huang, R, Tolbert, W, Pazgier, M. 登録日 2023-02-16 公開日 2023-11-08 実験手法 ELECTRON MICROSCOPY (3.16 Å) 主引用文献 Structure-function analyses reveal key molecular determinants of HIV-1 CRF01_AE resistance to the entry inhibitor temsavir. Nat Commun, 14, 2023
8GDJ	Crystal Structure of HIV-1 LM/HT CLADE A/E CRF01 GP120 Core in Complex with TFH-II-128 分子名称: (3S,5R)-N-(4-chloro-3-fluorophenyl)-5-(hydroxymethyl)-1-(4-methylpiperazine-1-carbonyl)piperidine-3-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... 著者 Nguyen, D.N, Tolbert, W.D, Pazgier, M. 登録日 2023-03-06 公開日 2024-03-20 実験手法 X-RAY DIFFRACTION (2.42 Å) 主引用文献 Crystal Structure of HIV-1 LM/HT CLADE A/E CRF01 GP120 Core in Complex with TFH-II-128 To Be Published
8GDK	Crystal Structure of HIV-1 LM/HT CLADE A/E CRF01 GP120 Core in Complex with TFH-II-151 分子名称: (3S,5R)-N-(4-chloro-3-fluorophenyl)-5-(hydroxymethyl)-1-[(3R,5S)-3,4,5-trimethylpiperazine-1-carbonyl]piperidine-3-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... 著者 Tolbert, W.D, Nguyen, D.N, Pazgier, M. 登録日 2023-03-06 公開日 2024-03-20 実験手法 X-RAY DIFFRACTION (2.65 Å) 主引用文献 Crystal Structure of HIV-1 LM/HT CLADE A/E CRF01 GP120 Core in Complex with TFH-II-151 To Be Published
8CGB	Monkeypox virus VP39 in complex with SAH 分子名称: Cap-specific mRNA (nucleoside-2'-O-)-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE 著者 Silhan, J, Klima, M, Skvara, P, Boura, E. 登録日 2023-02-03 公開日 2023-04-26 最終更新日 2024-06-19 実験手法 X-RAY DIFFRACTION (2.47 Å) 主引用文献 Discovery and structural characterization of monkeypox virus methyltransferase VP39 inhibitors reveal similarities to SARS-CoV-2 nsp14 methyltransferase. Nat Commun, 14, 2023
8JZK	Crystal structure of glutathione S-transferase Tau7 from Salix lindleyana in complex with GSH 分子名称: GLUTATHIONE, glutathione transferase 著者 Xu, N. 登録日 2023-07-05 公開日 2024-06-12 実験手法 X-RAY DIFFRACTION (2.5500443 Å) 主引用文献 Crystal structure of glutathione S-transferase Tau7 from Salix lindleyana in complex with GSH To Be Published
8U7Z	KCTD5/Cullin3/Gbeta1gamma2 Complex: Local Refinment of KCTD5(CTD)/Gbeta1gamma2 分子名称: BTB/POZ domain-containing protein KCTD5, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1 著者 Kuntz, D.A, Nguyen, D.M, Narayanan, N, Prive, G.G. 登録日 2023-09-15 公開日 2023-10-11 最終更新日 2024-05-01 実験手法 ELECTRON MICROSCOPY (2.97 Å) 主引用文献 Structure and dynamics of a pentameric KCTD5/CUL3/G beta gamma E3 ubiquitin ligase complex. Proc.Natl.Acad.Sci.USA, 121, 2024
8U81	KCTD5/Cullin3/Gbeta1gamma2 Complex: State A From Composite RELION Multi-body Refinement Map 分子名称: BTB/POZ domain-containing protein KCTD5, Cullin-3, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... 著者 Kuntz, D.A, Nguyen, D.M, Narayanan, N, Prive, G.G. 登録日 2023-09-15 公開日 2023-10-11 最終更新日 2024-05-01 実験手法 ELECTRON MICROSCOPY (3.82 Å) 主引用文献 Structure and dynamics of a pentameric KCTD5/CUL3/G beta gamma E3 ubiquitin ligase complex. Proc.Natl.Acad.Sci.USA, 121, 2024

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