PDB: 245396 件ウェブページステータス検索Chemie searchBIRD

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5O0V	crystal structure of E. coli GAP-DH by fortuitous crystallization as an impurity from a solution of human liver FBPase 分子名称: GLYCEROL, Glyceraldehyde-3-phosphate dehydrogenase A 著者 Ruf, A, Benz, J, Rudolph, M.G. 登録日 2017-05-17 公開日 2017-07-12 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 fortuitous crystallization of GAP-DH impurity from a solution of human liver FBPase To Be Published
4U17	Swapped dimer of the human Fyn-SH2 domain 分子名称: 1,2-ETHANEDIOL, PHOSPHATE ION, Tyrosine-protein kinase Fyn 著者 Garcia-Pino, A, Huculeci, R, Lenaerts, T, van Nuland, N.A.J. 登録日 2014-07-15 公開日 2015-07-29 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.99 Å) 主引用文献 Swapped dimer of the human Fyn-SH2 domain To Be Published
6SRD	Structure of Rex8A from Paenibacillus barcinonensis complexed with xylose. 分子名称: GLYCEROL, Reducing-end xylose-releasing exo-oligoxylanase Rex8A, beta-D-xylopyranose 著者 Jimenez-Ortega, E, Ramirez-Escudero, M, Sanz-Aparicio, J. 登録日 2019-09-05 公開日 2020-05-27 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.93 Å) 主引用文献 Structural analysis of the reducing-end xylose-releasing exo-oligoxylanase Rex8A from Paenibacillus barcinonensis BP-23 deciphers its molecular specificity. Febs J., 287, 2020
9DPF	Crystal structure of TMPRSS11D S368A complexed with its own zymogen activation motif 分子名称: 1,2-ETHANEDIOL, Transmembrane protease serine 11D, Transmembrane protease serine 11D non-catalytic chain 著者 Fraser, B.J, Dong, A, Ilyassov, O, Seitova, A, Li, Y, Edwards, A, Benard, F, Arrowsmith, C, Structural Genomics Consortium (SGC) 登録日 2024-09-21 公開日 2024-10-16 最終更新日 2025-05-28 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Structural basis of TMPRSS11D specificity and autocleavage activation. Nat Commun, 16, 2025
6RGJ	Photorhabdus asymbiotica lectin PHL in complex with D-glucose 分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Lectin PHL, ... 著者 Houser, J, Fujdiarova, E, Jancarikova, G, Wimmerova, M. 登録日 2019-04-16 公開日 2020-07-01 最終更新日 2024-11-13 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Heptabladed beta-propeller lectins PLL2 and PHL from Photorhabdus spp. recognize O-methylated sugars and influence the host immune system. Febs J., 288, 2021
4TVG	HIV Protease (PR) dimer in closed form with pepstatin in active site and fragment AK-2097 in the outside/top of flap 分子名称: 3-(morpholin-4-ylmethyl)-1H-indole-6-carboxylic acid, GLYCEROL, HIV Protease, ... 著者 Tiefenbrunn, T, Kislukhin, A, Finn, M.G, Stout, C.D. 登録日 2014-06-26 公開日 2014-09-24 最終更新日 2024-11-06 実験手法 X-RAY DIFFRACTION (2.18 Å) 主引用文献 Distinguishing Binders from False Positives by Free Energy Calculations: Fragment Screening Against the Flap Site of HIV Protease. J.Phys.Chem.B, 119, 2015
5ZNJ	Crystal structure of a bacterial ProRS with ligands 分子名称: 7-bromo-6-chloro-3-{3-[(2R,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl}quinazolin-4(3H)-one, GLYCEROL, MAGNESIUM ION, ... 著者 Cheng, B, Yu, Y, Zhou, H. 登録日 2018-04-09 公開日 2019-05-29 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.84 Å) 主引用文献 Structure-Guided Design of Halofuginone Derivatives as ATP-Aided Inhibitors Against Bacterial Prolyl-tRNA Synthetase. J.Med.Chem., 65, 2022
5J4Y	The crystal structure of N-(4-(2-(thiazolo[5,4-c]pyridin-2-yl)phenoxy)phenyl)acetamide bound to JCV Helicase 分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Large T antigen, N-{4-[2-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenoxy]phenyl}acetamide, ... 著者 Ter Haar, E. 登録日 2016-04-01 公開日 2016-07-20 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (2.59 Å) 主引用文献 Fragment-Based Discovery of Dual JC Virus and BK Virus Helicase Inhibitors. J.Med.Chem., 59, 2016
7Y9H	Crystal structure of diterpene synthase VenA from Streptomyces venezuelae ATCC 15439 分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Diterpene synthase VenA, ... 著者 Zhang, L.L, Xie, Z.Z, Huang, J.-W, Hu, Y.C, Liu, W.D, Yang, Y, Chen, C.-C, Guo, R.-T. 登録日 2022-06-24 公開日 2023-06-14 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.03 Å) 主引用文献 Molecular insights into the catalytic promiscuity of a bacterial diterpene synthase. Nat Commun, 14, 2023
5E5P	Wild type I-SmaMI in the space group of C121 分子名称: 1,2-ETHANEDIOL, 2-(2-METHOXYETHOXY)ETHANOL, I-SmaMI LAGLIDADG meganuclease 著者 Shen, B.W. 登録日 2015-10-09 公開日 2016-01-13 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (2.65 Å) 主引用文献 The Structural Basis of Asymmetry in DNA Binding and Cleavage as Exhibited by the I-SmaMI LAGLIDADG Meganuclease. J.Mol.Biol., 428, 2016
5NXJ	SH3 domain from Mouse cortactin (P 1 21 1 crystal form) 分子名称: ISOPROPYL ALCOHOL, Src substrate cortactin 著者 Twafra, S, Dessau, M. 登録日 2017-05-10 公開日 2018-05-30 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.282 Å) 主引用文献 SH3 domain from Mouse cortactin (P 1 21 1 crystal form) To Be Published
6XJS	Crystal Structure of KPT-330 bound to CRM1 (E582K, 537-DLTVK-541 to GLCEQ) 分子名称: Exportin-1, GLYCEROL, GTP-binding nuclear protein Ran, ... 著者 Baumhardt, J.M, Chook, Y.M. 登録日 2020-06-24 公開日 2021-01-27 最終更新日 2024-10-23 実験手法 X-RAY DIFFRACTION (1.942 Å) 主引用文献 Recurrent XPO1 mutations alter pathogenesis of chronic lymphocytic leukemia. J Hematol Oncol, 14, 2021
7SEC	Crystal structure of human Fibrillarin in complex with compound 1a 分子名称: 2-[(8S)-4-oxo-2-(trifluoromethyl)-4,5-dihydropyrazolo[1,5-a]pyrazin-6-yl]acetamide, DIMETHYL SULFOXIDE, FORMIC ACID, ... 著者 Shi, Y, El-Deeb, I.M, Masic, V, Hartley-Tassell, L, Maggioni, A, von Itzstein, M, Ve, T. 登録日 2021-09-30 公開日 2022-02-09 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Discovery of Cofactor Competitive Inhibitors against the Human Methyltransferase Fibrillarin. Pharmaceuticals, 15, 2021
8BLV	The PDZ domains of human SDCBP with a bound SDC4 C-terminal peptide 分子名称: 1,2-ETHANEDIOL, SULFATE ION, Syndecan-4, ... 著者 Bradshaw, W.J, Katis, V.L, Daniel-Mozo, M, Bountra, C, von Delft, F, Brennan, P.E. 登録日 2022-11-10 公開日 2022-12-21 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 The PDZ domains of human SDCBP with a bound SDC4 C-terminal peptide To Be Published
6H8G	MamM CTD H264E - Cadmium form 1 分子名称: BETA-MERCAPTOETHANOL, CADMIUM ION, 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 (1.35 Å) 主引用文献 MamM CTD H264E - Cadmium form 1 To Be Published
9EIT	NCS.1 Fab in complex with N5 NA of A/shorebird/Delaware Bay/309/2016 (DB16, H10N5) -- 4 Fabs 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, NCS.1 Heavy Chain, ... 著者 Borst, A.J. 登録日 2024-11-26 公開日 2025-08-13 実験手法 ELECTRON MICROSCOPY (3.35 Å) 主引用文献 Structural convergence and water-mediated substrate mimicry enable broad neuraminidase inhibition by human antibodies. Nat Commun, 16, 2025
7VUX	Complex structure of PD1 and 609A-Fab 分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... 著者 Huang, H, Zhu, Z, Zhao, J, Jiang, L, Yang, H, Deng, L, Meng, X, Ding, J, Yang, S, Zhao, L, Xu, W, Wang, X. 登録日 2021-11-04 公開日 2021-11-17 最終更新日 2024-10-16 実験手法 X-RAY DIFFRACTION (1.64 Å) 主引用文献 A strategy for the efficient construction of anti-PD1-based bispecific antibodies with desired IgG-like properties. Mabs, 14, 2022
9HEW	CryoEM structure of mouse Panx1 phosphorylated in vitro by Src, wide conformation 分子名称: Pannexin-1 著者 Gaullier, G, Zhang, Q, Mim, C, Dahl, G. 登録日 2024-11-14 公開日 2025-11-26 実験手法 ELECTRON MICROSCOPY (3.31 Å) 主引用文献 Phosphorylation of Pannexin 1 activates ATP release To Be Published
9HF1	CryoEM structure of mouse Panx1-W74A 分子名称: Pannexin-1 著者 Gaullier, G, Zhang, Q, Mim, C, Dahl, G. 登録日 2024-11-14 公開日 2025-11-26 実験手法 ELECTRON MICROSCOPY (3.75 Å) 主引用文献 Phosphorylation of Pannexin 1 activates ATP release To Be Published
9HEY	CryoEM structure of mouse Panx1-R75A, narrow conformation 分子名称: Pannexin-1 著者 Gaullier, G, Zhang, Q, Mim, C, Dahl, G. 登録日 2024-11-14 公開日 2025-11-26 実験手法 ELECTRON MICROSCOPY (3.52 Å) 主引用文献 Phosphorylation of Pannexin 1 activates ATP release To Be Published
6MK4	Solution NMR structure of spider toxin analogue [E17K]ProTx-II 分子名称: Beta/omega-theraphotoxin-Tp2a 著者 Schroeder, C.I. 登録日 2018-09-25 公開日 2018-12-19 最終更新日 2024-10-09 実験手法 SOLUTION NMR 主引用文献 Peptide-Membrane Interactions Affect the Inhibitory Potency and Selectivity of Spider Toxins ProTx-II and GpTx-1. ACS Chem. Biol., 14, 2019
8B91	Crystal structure of mutant PPARG (C313A) and NCOR2 with an inverse agonist (compound SI-1) 分子名称: Nuclear receptor corepressor 2, Peroxisome proliferator-activated receptor gamma, ~{N}3-[4-[bis(fluoranyl)methoxy]-3-fluoranyl-phenyl]-4-chloranyl-6-fluoranyl-~{N}1-[(2-methoxyphenyl)methyl]benzene-1,3-dicarboxamide 著者 Friberg, A, Orsi, D.L, Pook, E, Siegel, S, Lemke, C.T, Stellfeld, T, Puetter, V, Goldstein, J. 登録日 2022-10-05 公開日 2022-12-28 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (2.23 Å) 主引用文献 Discovery and characterization of orally bioavailable 4-chloro-6-fluoroisophthalamides as covalent PPARG inverse-agonists. Bioorg.Med.Chem., 78, 2022
8SK0	Crystal structure of EvdS6 decarboxylase in ligand bound state 分子名称: CITRATE ANION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... 著者 Sharma, P, Frigo, L, Dulin, C.C, Bachmann, B.O, Iverson, T.M. 登録日 2023-04-18 公開日 2023-08-09 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (1.51 Å) 主引用文献 EvdS6 is a bifunctional decarboxylase from the everninomicin gene cluster. J.Biol.Chem., 299, 2023
6DQO	Crystal structure of SsuE FMN reductase Y118A mutant in FMN bound form. 分子名称: FLAVIN MONONUCLEOTIDE, FMN reductase (NADPH), GLYCEROL 著者 McFarlane, J.S, Ellis, H.R, Lamb, A.L. 登録日 2018-06-11 公開日 2019-01-09 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.705 Å) 主引用文献 Not as easy as pi : An insertional residue does not explain the pi-helix gain-of-function in two-component FMN reductases. Protein Sci., 28, 2019
9I7E	Crystal structure of HRP-2 PWWP domain with C64S mutation - Crystal form P1 type 2 分子名称: 1,2-ETHANEDIOL, Hepatoma-derived growth factor-related protein 2 著者 Vantieghem, T, Osipov, E.M, Strelkov, S.V. 登録日 2025-01-31 公開日 2025-08-13 実験手法 X-RAY DIFFRACTION (1.58 Å) 主引用文献 Crystal engineering of the hepatoma-derived growth factor-related protein 2 PWWP domain towards crystallographic fragment screening. Acta Crystallogr.,Sect.F, 81, 2025

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