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

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6FNQ	Ergothioneine-biosynthetic methyltransferase EgtD in complex with N,N,N-trimethylhistidine (hercynine) 分子名称: GLYCEROL, Histidine N-alpha-methyltransferase, MAGNESIUM ION, ... 著者 Vit, A, Blankenfeldt, W, Seebeck, F.P. 登録日 2018-02-05 公開日 2018-06-13 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 Inhibition and Regulation of the Ergothioneine Biosynthetic Methyltransferase EgtD. ACS Chem. Biol., 13, 2018
6FZ5	Human N-myristoyltransferase (NMT1) with Myristoyl-CoA and inhibitor bound 分子名称: 4-[3-[(8~{a}~{R})-3,4,6,7,8,8~{a}-hexahydro-1~{H}-pyrrolo[1,2-a]pyrazin-2-yl]propyl]-2,6-bis(chloranyl)-~{N}-methyl-~{N}-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide, GLYCEROL, Glycylpeptide N-tetradecanoyltransferase 1, ... 著者 Kersten, F.C, Brenk, R. 登録日 2018-03-14 公開日 2019-03-27 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (1.89 Å) 主引用文献 How To Design Selective Ligands for Highly Conserved Binding Sites: A Case Study UsingN-Myristoyltransferases as a Model System. J.Med.Chem., 63, 2020
6FPL	TETR(D) E147A MUTANT IN COMPLEX WITH TETRACYCLINE AND MAGNESIUM 分子名称: CHLORIDE ION, MAGNESIUM ION, TETRACYCLINE, ... 著者 Hinrichs, W, Palm, G.J, Berndt, L, Girbardt, B. 登録日 2018-02-11 公開日 2019-03-13 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.602 Å) 主引用文献 Thermodynamics, cooperativity and stability of the tetracycline repressor (TetR) upon tetracycline binding. Biochim Biophys Acta Proteins Proteom, 1868, 2020
6DQA	Linked KDM5A JMJ Domain Bound to Inhibitor N70 i.e.[2-((3-aminophenyl)(2-(piperidin-1-yl)ethoxy)methyl)thieno[3,2-b]pyridine-7-carboxylic acid] 分子名称: 1,2-ETHANEDIOL, 2-{(R)-(3-aminophenyl)[2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid, GLYCEROL, ... 著者 Horton, J.R, Cheng, X. 登録日 2018-06-10 公開日 2018-11-21 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.888 Å) 主引用文献 Structure-Based Engineering of Irreversible Inhibitors against Histone Lysine Demethylase KDM5A. J. Med. Chem., 61, 2018
6R4T	Crystal structure of the Pri1 subunit of human primase bound to vidarabine triphosphate 分子名称: 1,2-ETHANEDIOL, 9-{5-O-[(S)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-arabinofuranosyl}-9H-purin-6-amine, DNA primase small subunit, ... 著者 Kilkenny, M.L, Pellegrini, L. 登録日 2019-03-24 公開日 2019-09-11 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.35 Å) 主引用文献 Structural Basis for Inhibition of Human Primase by Arabinofuranosyl Nucleoside Analogues Fludarabine and Vidarabine. Acs Chem.Biol., 14, 2019
6DID	HIV Env BG505 SOSIP with polyclonal Fabs from immunized rabbit #3417 post-boost#1 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, Envelope glycoprotein gp160, ... 著者 Turner, H.L, Cottrell, C.A, Oyen, D, Wilson, I.A, Ward, A.B. 登録日 2018-05-23 公開日 2018-09-05 最終更新日 2020-07-29 実験手法 ELECTRON MICROSCOPY (4.71 Å) 主引用文献 Electron-Microscopy-Based Epitope Mapping Defines Specificities of Polyclonal Antibodies Elicited during HIV-1 BG505 Envelope Trimer Immunization. Immunity, 49, 2018
8BPV	Crystal structure of JAK2 JH1 in complex with pacritinib 分子名称: 11-(2-pyrrolidin-1-yl-ethoxy)-14,19-dioxa-5,7,26-triaza-tetracyclo[19.3.1.1(2,6).1(8,12)]heptacosa-1(25),2(26),3,5,8,10,12(27),16,21,23-decaene, Tyrosine-protein kinase JAK2 著者 Miao, Y, Haikarainen, T. 登録日 2022-11-18 公開日 2023-11-29 最終更新日 2024-07-10 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Functional and Structural Characterization of Clinical-Stage Janus Kinase 2 Inhibitors Identifies Determinants for Drug Selectivity. J.Med.Chem., 67, 2024
6R5E	Crystal structure of the Pri1 subunit of human primase bound to 2F-ATP 分子名称: 1,2-ETHANEDIOL, 2-fluoro-ATP, DNA primase small subunit, ... 著者 Kilkenny, M.L, Pellegrini, L. 登録日 2019-03-24 公開日 2019-09-11 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 Structural Basis for Inhibition of Human Primase by Arabinofuranosyl Nucleoside Analogues Fludarabine and Vidarabine. Acs Chem.Biol., 14, 2019
6FS8	Influenza B/Memphis/13/03 endonuclease with bound inhibitor, baloxavir acid (BXA) 分子名称: Baloxavir acid, MANGANESE (II) ION, Polymerase acidic protein 著者 Cusack, S, Speranzini, V. 登録日 2018-02-19 公開日 2018-07-11 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Characterization of influenza virus variants induced by treatment with the endonuclease inhibitor baloxavir marboxil. Sci Rep, 8, 2018
8BQA	CjCel5B endo-glucanase bound to CB665 covalent inhibitor 分子名称: (1R,2S,3S,4S,5R,6R)-6-(HYDROXYMETHYL)CYCLOHEXANE-1,2,3,4,5-PENTOL, Endoglucanase, alpha-D-xylopyranose, ... 著者 McGregor, N.G.S, de Boer, C, Overkleeft, H.S, Davies, G.J. 登録日 2022-11-20 公開日 2023-11-29 最終更新日 2024-06-12 実験手法 X-RAY DIFFRACTION (1.67 Å) 主引用文献 A Multiplexing Activity-Based Protein-Profiling Platform for Dissection of a Native Bacterial Xyloglucan-Degrading System. Acs Cent.Sci., 9, 2023
5LSG	PPARgamma complex with the betulinic acid 分子名称: Betulinic Acid, Peroxisome proliferator-activated receptor gamma 著者 Pochetti, G, Montanari, R, Capelli, D, Loiodice, F, Laghezza, A, Calleri, E, Paiardini, A. 登録日 2016-08-26 公開日 2017-08-09 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Betulinic acid is a PPAR gamma antagonist that improves glucose uptake, promotes osteogenesis and inhibits adipogenesis. Sci Rep, 7, 2017
6R6O	Recombinantly produced Kusta0087/Kusta0088 Complex, C32G/wt mutant 分子名称: HEME C, Kusta0088, POTASSIUM ION, ... 著者 Akram, M, Barends, T. 登録日 2019-03-27 公開日 2019-10-02 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 A nitric oxide-binding heterodimeric cytochromeccomplex from the anammox bacteriumKuenenia stuttgartiensisbinds to hydrazine synthase. J.Biol.Chem., 294, 2019
5LUS	Structures of DHBN domain of Pelecanus crispus BLM helicase 分子名称: BLM helicase 著者 Shi, J, Chen, W.-F, Zhang, B, Fan, S.-H, Ai, X, Liu, N.-N, Rety, S, Xi, X.-G. 登録日 2016-09-09 公開日 2017-03-01 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (1.433 Å) 主引用文献 A helical bundle in the N-terminal domain of the BLM helicase mediates dimer and potentially hexamer formation. J. Biol. Chem., 292, 2017
6FVI	ASH / PapD-like domain of human CEP192 (PapD-like domain 7) 分子名称: CHLORIDE ION, Centrosomal protein of 192 kDa 著者 Kovalevskiy, O.V, van Breugel, M. 登録日 2018-03-02 公開日 2019-03-20 実験手法 X-RAY DIFFRACTION (1 Å) 主引用文献 ASH / PapD-like domain of human CEP192 (PapD-like domain 7) To Be Published
6DQC	LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR N50 i.e. 2-(4-((2-(dimethylamino)ethyl)(ethyl)carbamoyl)-5-(4-methoxyphenyl)-1H-pyrazol-1-yl)isonicotinic acid 分子名称: 2-[4-{[2-(dimethylamino)ethyl](ethyl)carbamoyl}-5-(4-methoxyphenyl)-1H-pyrazol-1-yl]pyridine-4-carboxylic acid, DIMETHYL SULFOXIDE, GLYCEROL, ... 著者 Horton, J.R, Cheng, X. 登録日 2018-06-10 公開日 2019-06-12 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.755 Å) 主引用文献 To be determined To Be Published
5LVT	Structure of HU protein from Lactococcus lactis 分子名称: ACETATE ION, DNA-binding protein HU, SULFATE ION 著者 Le Meur, R, Coste, F, Castaing, B. 登録日 2016-09-14 公開日 2017-10-25 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Structure of HU protein from Lactococcus lactis To Be Published
8BQC	CjCel5B endo-glucanase 分子名称: Endoglucanase 著者 McGregor, N.G.S, Davies, G.J. 登録日 2022-11-20 公開日 2023-11-29 最終更新日 2024-06-12 実験手法 X-RAY DIFFRACTION (1.57 Å) 主引用文献 A Multiplexing Activity-Based Protein-Profiling Platform for Dissection of a Native Bacterial Xyloglucan-Degrading System. Acs Cent.Sci., 9, 2023
8BM2	Crystal structure of JAK2 JH1 in complex with gandotinib 分子名称: 3-[(4-chloranyl-2-fluoranyl-phenyl)methyl]-2-methyl-~{N}-(5-methyl-1~{H}-pyrazol-3-yl)-8-(morpholin-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine, Tyrosine-protein kinase JAK2 著者 Miao, Y, Haikarainen, T. 登録日 2022-11-10 公開日 2023-11-22 最終更新日 2024-07-10 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Functional and Structural Characterization of Clinical-Stage Janus Kinase 2 Inhibitors Identifies Determinants for Drug Selectivity. J.Med.Chem., 67, 2024
5LWO	Structure of Spin-labelled T4 lysozyme mutant L115C-R119C-R1 at 100K 分子名称: 2-HYDROXYETHYL DISULFIDE, BETA-MERCAPTOETHANOL, CHLORIDE ION, ... 著者 Loll, B, Consentius, P, Gohlke, U, Mueller, R, Kaupp, M, Heinemann, U, Wahl, M.C, Risse, T. 登録日 2016-09-18 公開日 2017-03-08 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (1.183 Å) 主引用文献 Internal Dynamics of the 3-Pyrroline-N-Oxide Ring in Spin-Labeled Proteins. J Phys Chem Lett, 8, 2017
6RBM	TETR(D) E147A MUTANT IN COMPLEX WITH MINOCYCLINE AND MAGNESIUM 分子名称: (4S,4AS,5AR,12AS)-4,7-BIS(DIMETHYLAMINO)-3,10,12,12A-TETRAHYDROXY-1,11-DIOXO-1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-2- CARBOXAMIDE, CHLORIDE ION, MAGNESIUM ION, ... 著者 Hinrichs, W, Palm, G.J, Berndt, L, Girbardt, B. 登録日 2019-04-11 公開日 2019-08-21 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.05 Å) 主引用文献 Thermodynamics, cooperativity and stability of the tetracycline repressor (TetR) upon tetracycline binding. Biochim Biophys Acta Proteins Proteom, 1868, 2020
6GYW	Crystal structure of DacA from Staphylococcus aureus 分子名称: Diadenylate cyclase 著者 Tosi, T, Freemont, P.S, Grundling, A. 登録日 2018-07-02 公開日 2019-01-23 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Inhibition of the Staphylococcus aureus c-di-AMP cyclase DacA by direct interaction with the phosphoglucosamine mutase GlmM. PLoS Pathog., 15, 2019
6GYY	Crystal structure of DacA from Staphylococcus aureus, N166C/T172C double mutant 分子名称: Diadenylate cyclase 著者 Tosi, T, Freemont, P.S, Grundling, A. 登録日 2018-07-02 公開日 2019-01-23 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.77 Å) 主引用文献 Inhibition of the Staphylococcus aureus c-di-AMP cyclase DacA by direct interaction with the phosphoglucosamine mutase GlmM. PLoS Pathog., 15, 2019
2NO8	NMR Structure analysis of the colicin immuntiy protein IM2 分子名称: Colicin-E2 immunity protein 著者 Macdonald, C.J. 登録日 2006-10-25 公開日 2007-11-06 最終更新日 2023-12-27 実験手法 SOLUTION NMR 主引用文献 Structural Models for non Cognate Complexes of the DNase Domain of Colicin E9 and Colicin Immunity Proteins To be Published
8XIT	Cryo-EM structure of sheep VMAT2 dimer in an atypical fold 分子名称: OaVMAT2-BRIL 著者 Lyu, Y, Fu, C, Ma, H, Sun, Z, Su, Z, Zhou, X. 登録日 2023-12-20 公開日 2024-08-14 実験手法 ELECTRON MICROSCOPY (3.2 Å) 主引用文献 Engineering of a mammalian VMAT2 for cryo-EM analysis results in non-canonical protein folding. Nat Commun, 15, 2024
8XIU	Cryo-EM structure of a frog VMAT2 in an apo conformation 分子名称: XlVMAT2 著者 Lyu, Y, Fu, C, Ma, H, Sun, Z, Su, Z, Zhou, X. 登録日 2023-12-20 公開日 2024-08-14 実験手法 ELECTRON MICROSCOPY (4 Å) 主引用文献 Engineering of a mammalian VMAT2 for cryo-EM analysis results in non-canonical protein folding. Nat Commun, 15, 2024

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