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

---

7AVC	DoBi scaffold based on PIH1D1 N-terminal domain 分子名称: GLYCEROL, PIH1 domain-containing protein 1, SODIUM ION 著者 Kolenko, P, Pham, N.P, Pavlicek, J, Mikulecky, P, Schneider, B. 登録日 2020-11-05 公開日 2021-02-10 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.2 Å) 主引用文献 Protein Binder (ProBi) as a New Class of Structurally Robust Non-Antibody Protein Scaffold for Directed Evolution. Viruses, 13, 2021
7PJD	The X-ray structure of juvenile hormone diol kinase from the silk worm Bombyx mori. 分子名称: CALCIUM ION, Juvenile hormone diol kinase 著者 Guo, J, Cooper, J, Keegan, R.M. 登録日 2021-08-23 公開日 2021-12-22 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.99 Å) 主引用文献 The X-ray structure of juvenile hormone diol kinase from the silkworm Bombyx mori. Acta Crystallogr.,Sect.F, 77, 2021
7ALM	Crystal structure of human GDAP1 at 2.8 Angstrom resolution. 分子名称: Ganglioside-induced differentiation-associated protein 1 著者 Nguyen, G.T.T, Sutinen, A, Raasakka, A, Kursula, P. 登録日 2020-10-06 公開日 2021-02-24 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 Structure of the Complete Dimeric Human GDAP1 Core Domain Provides Insights into Ligand Binding and Clustering of Disease Mutations. Front Mol Biosci, 7, 2020
5M5D	Structure of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex with mannose-alpha-1,3-D-glucal 分子名称: 1,2-ETHANEDIOL, ACETATE ION, Glycosyl hydrolase family 71, ... 著者 Petricevic, M, Sobala, L.F, Fernandes, P.Z, Raich, L, Thompson, A.J, Bernardo-Seisdedos, G, Millet, O, Zhu, S, Sollogoub, M, Rovira, C, Jimenez-Barbero, J, Davies, G.J, Williams, S.J. 登録日 2016-10-21 公開日 2017-01-11 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.07 Å) 主引用文献 Contribution of Shape and Charge to the Inhibition of a Family GH99 endo-alpha-1,2-Mannanase. J. Am. Chem. Soc., 139, 2017
6M6Y	Crystal structure of Mycobacterium smegmatis MutT1 in complex with 8-oxo-dGTP 分子名称: 1,2-ETHANEDIOL, 8-OXO-2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, Hydrolase, ... 著者 Raj, P, Karthik, S, Arif, S.M, Varshney, U, Vijayan, M. 登録日 2020-03-16 公開日 2020-10-14 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Plasticity, ligand conformation and enzyme action of Mycobacterium smegmatis MutT1. Acta Crystallogr D Struct Biol, 76, 2020
6M72	Crystal structure of Mycobacterium smegmatis MutT1 in complex with 8-oxo-dGDP 分子名称: 2'-deoxy-8-oxoguanosine 5'-(trihydrogen diphosphate), Hydrolase, NUDIX family protein, ... 著者 Raj, P, Karthik, S, Arif, S.M, Varshney, U, Vijayan, M. 登録日 2020-03-16 公開日 2020-10-14 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Plasticity, ligand conformation and enzyme action of Mycobacterium smegmatis MutT1. Acta Crystallogr D Struct Biol, 76, 2020
6EZN	Cryo-EM structure of the yeast oligosaccharyltransferase (OST) complex 分子名称: 1-PALMITOYL-2-LINOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... 著者 Wild, R, Kowal, J, Eyring, J, Ngwa, E.M, Aebi, M, Locher, K.P. 登録日 2017-11-16 公開日 2018-01-17 最終更新日 2022-12-07 実験手法 ELECTRON MICROSCOPY (3.3 Å) 主引用文献 Molecular basis for glycan recognition and reaction priming of eukaryotic oligosaccharyltransferase. Nat Commun, 13, 2022
5MC8	Structure of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex with mannose-alpha-1,3-D-glucal and alpha-1,2-mannobiose 分子名称: 1,2-ETHANEDIOL, ACETATE ION, Glycosyl hydrolase family 71, ... 著者 Petricevic, M, Sobala, L.F, Fernandes, P.Z, Raich, L, Thompson, A.J, Bernardo-Seisdedos, G, Millet, O, Zhu, S, Sollogoub, M, Rovira, C, Jimenez-Barbero, J, Davies, G.J, Williams, S.J. 登録日 2016-11-09 公開日 2017-01-11 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.18 Å) 主引用文献 Contribution of Shape and Charge to the Inhibition of a Family GH99 endo-alpha-1,2-Mannanase. J. Am. Chem. Soc., 139, 2017
7Q3Z	DNA/RNA binding protein 分子名称: SODIUM ION, Schlafen family member 5, ZINC ION 著者 Huber, E, Lammens, K. 登録日 2021-10-29 公開日 2022-01-26 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 Structural and biochemical characterization of human Schlafen 5. Nucleic Acids Res., 50, 2022
8P0N	Cryo EM map and model of the vaccinia RNA polymerase intermediate pre-initiation open promoter complex shallow conformation 分子名称: DNA-directed RNA polymerase 133 kDa polypeptide, DNA-directed RNA polymerase 147 kDa polypeptide, DNA-directed RNA polymerase 18 kDa subunit, ... 著者 Grimm, C, Jungwirth, S, Fischer, U. 登録日 2023-05-10 公開日 2024-05-22 実験手法 ELECTRON MICROSCOPY (2.58 Å) 主引用文献 Cryo EM map and model of the vaccinia RNA polymerase intermediate pre-initiation open promoter complex (CASP target) To Be Published
6F67	Crystal structure of glutathione transferase Omega 3S from Trametes versicolor in complex with 3,4-Dihydroxybenzophenone 分子名称: CALCIUM ION, DI(HYDROXYETHYL)ETHER, [3,4-bis(oxidanyl)phenyl]-phenyl-methanone, ... 著者 Schwartz, M, Favier, F, Didierjean, C. 登録日 2017-12-05 公開日 2018-06-06 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.398 Å) 主引用文献 Molecular recognition of wood polyphenols by phase II detoxification enzymes of the white rot Trametes versicolor. Sci Rep, 8, 2018
8PO2	Discovery and Optimisation of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations. Compound 33 bound to EGFRinsNPG [V948R] 分子名称: 1-cyclopropyl-~{N}-[3-[1-(1-propanoylazetidin-3-yl)-4-pyridin-4-yl-pyrazol-3-yl]phenyl]imidazole-4-carboxamide, Epidermal growth factor receptor 著者 Hargreaves, D. 登録日 2023-07-03 公開日 2024-06-05 最終更新日 2024-06-19 実験手法 X-RAY DIFFRACTION (2.28 Å) 主引用文献 Discovery and Optimization of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations. J.Med.Chem., 67, 2024
6XID	PCSK9(deltaCRD) in complex with cyclic peptide 51 分子名称: GLYCEROL, Peptide 51, Proprotein convertase subtilisin/kexin type 9 著者 Orth, P. 登録日 2020-06-19 公開日 2020-11-18 最終更新日 2024-04-24 実験手法 X-RAY DIFFRACTION (1.482 Å) 主引用文献 Series of Novel and Highly Potent Cyclic Peptide PCSK9 Inhibitors Derived from an mRNA Display Screen and Optimized via Structure-Based Design. J.Med.Chem., 63, 2020
8PPS	Dimeric RbdA EAL, in apo state 分子名称: 1,2-ETHANEDIOL, BETA-MERCAPTOETHANOL, EAL domain-containing protein, ... 著者 Cordery, C.R, Maly, M, Walsh, M.A, Tews, I. 登録日 2023-07-08 公開日 2024-05-15 最終更新日 2024-05-29 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Phosphodiesterase activation in the biofilm dispersal protein RbdA and relationship to the biofilm formation protein PA2072 of similar architecture To Be Published
8PO0	Discovery and Optimisation of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations. Compound 12 bound to EGFRinsNPG 分子名称: 1-[3-[7-methoxy-4-[3-(3-methoxyphenyl)-1~{H}-pyrazol-4-yl]quinazolin-6-yl]oxyazetidin-1-yl]propan-1-one, Epidermal growth factor receptor 著者 Hargreaves, D. 登録日 2023-07-03 公開日 2024-06-05 最終更新日 2024-06-19 実験手法 X-RAY DIFFRACTION (2.523 Å) 主引用文献 Discovery and Optimization of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations. J.Med.Chem., 67, 2024
6AX1	Structure of human monoacylglycerol lipase bound to a covalent inhibitor 分子名称: 1,1,1,3,3,3-hexafluoropropan-2-yl 3-(3-phenyl-1,2,4-oxadiazol-5-yl)azetidine-1-carboxylate, GLYCEROL, Monoglyceride lipase 著者 Pandit, J. 登録日 2017-09-06 公開日 2017-12-27 実験手法 X-RAY DIFFRACTION (2.26 Å) 主引用文献 Azetidine and Piperidine Carbamates as Efficient, Covalent Inhibitors of Monoacylglycerol Lipase. J. Med. Chem., 60, 2017
8PO3	Discovery and Optimisation of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations. Compound 18 bound to EGFR[V948R] 分子名称: 2-methyl-5-[[3-[1-[(3~{S})-1-propanoylpyrrolidin-3-yl]-4-pyridin-4-yl-pyrazol-3-yl]phenoxy]methyl]-3~{H}-isoindol-1-one, Epidermal growth factor receptor 著者 Hargreaves, D. 登録日 2023-07-03 公開日 2024-06-05 最終更新日 2024-06-19 実験手法 X-RAY DIFFRACTION (2.13 Å) 主引用文献 Discovery and Optimization of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations. J.Med.Chem., 67, 2024
7Q5H	Keap1 compound complex 分子名称: (3S,5S,8R)-8-[[(2S)-1-ethanoylpyrrolidin-2-yl]carbonylamino]-N,N-dimethyl-3,7,11-tris(oxidanylidene)-10-oxa-3$l^{4}-thia-6-azabicyclo[10.4.0]hexadeca-1(16),12,14-triene-5-carboxamide, CHLORIDE ION, Kelch-like ECH-associated protein 1 著者 Johansson, P. 登録日 2021-11-03 公開日 2022-03-16 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.31 Å) 主引用文献 Importance of Binding Site Hydration and Flexibility Revealed When Optimizing a Macrocyclic Inhibitor of the Keap1-Nrf2 Protein-Protein Interaction. J.Med.Chem., 65, 2022
6F68	Crystal structure glutathione transferase Omega 3S from Trametes versicolor in complex with 2,4,4'-trihydroxybenzophenone 分子名称: (2,4-dihydroxyphenyl)(4-hydroxyphenyl)methanone, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... 著者 Schwartz, M, Favier, F, Didierjean, C. 登録日 2017-12-05 公開日 2018-06-06 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.696 Å) 主引用文献 Molecular recognition of wood polyphenols by phase II detoxification enzymes of the white rot Trametes versicolor. Sci Rep, 8, 2018
8PO1	Discovery and Optimisation of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations. Compound 22 bound to EGFRinsNPG [V948R] 分子名称: 2-methyl-5-[[3-[1-[(3~{S},5~{R})-5-methyl-1-propanoyl-pyrrolidin-3-yl]-4-pyridin-4-yl-pyrazol-3-yl]phenoxy]methyl]-3~{H}-isoindol-1-one, Epidermal growth factor receptor, IODIDE ION 著者 Hargreaves, D. 登録日 2023-07-03 公開日 2024-06-05 最終更新日 2024-06-19 実験手法 X-RAY DIFFRACTION (2.11 Å) 主引用文献 Discovery and Optimization of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations. J.Med.Chem., 67, 2024
8PO4	Discovery and Optimisation of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations. Compound 33 bound to EGFR[V948R] 分子名称: 1-cyclopropyl-~{N}-[3-[1-(1-propanoylazetidin-3-yl)-4-pyridin-4-yl-pyrazol-3-yl]phenyl]imidazole-4-carboxamide, ADENOSINE-5'-TRIPHOSPHATE, Epidermal growth factor receptor, ... 著者 Hargreaves, D. 登録日 2023-07-03 公開日 2024-06-05 最終更新日 2024-06-19 実験手法 X-RAY DIFFRACTION (1.621 Å) 主引用文献 Discovery and Optimization of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations. J.Med.Chem., 67, 2024
8PNZ	Discovery and Optimisation of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations. Compound 16 bound to EGFR 分子名称: 1-[(3~{S})-3-[4-(6,7-dimethoxyquinazolin-4-yl)-3-(3-methoxyphenyl)pyrazol-1-yl]pyrrolidin-1-yl]propan-1-one, Epidermal growth factor receptor 著者 Hargreaves, D. 登録日 2023-07-03 公開日 2024-06-05 最終更新日 2024-06-19 実験手法 X-RAY DIFFRACTION (2.51 Å) 主引用文献 Discovery and Optimization of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations. J.Med.Chem., 67, 2024
6YQQ	ForT-PRPP complex 分子名称: 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, CHLORIDE ION, ForT-PRPP complex, ... 著者 Naismith, J.H, Gao, S. 登録日 2020-04-18 公開日 2020-05-20 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Uncovering the chemistry of C-C bond formation in C-nucleoside biosynthesis: crystal structure of a C-glycoside synthase/PRPP complex. Chem.Commun.(Camb.), 56, 2020
3WWO	S-selective hydroxynitrile lyase from Baliospermum montanum (apo1) 分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, (S)-hydroxynitrile lyase, CALCIUM ION 著者 Nakano, S, Dadashipour, M, Asano, Y. 登録日 2014-06-23 公開日 2014-10-22 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (2.55 Å) 主引用文献 Structural and functional analysis of hydroxynitrile lyase from Baliospermum montanum with crystal structure, molecular dynamics and enzyme kinetics Biochim.Biophys.Acta, 1844, 2014
1BQ3	SACCHAROMYCES CEREVISIAE PHOSPHOGLYCERATE MUTASE IN COMPLEX WITH INOSITOL HEXAKISPHOSPHATE 分子名称: INOSITOL HEXAKISPHOSPHATE, PROTEIN (PHOSPHOGLYCERATE MUTASE 1), SULFATE ION 著者 Rigden, D.J, Phillips, S.E.V, Fothergill-Gilmore, L.A. 登録日 1998-08-20 公開日 1998-08-26 最終更新日 2023-08-09 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 Polyanionic inhibitors of phosphoglycerate mutase: combined structural and biochemical analysis. J.Mol.Biol., 289, 1999

<279280281282283284285286287288289290291292293294>