PDB: 71589 件ウェブページステータス検索Chemie searchBIRD

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6XVR	Human myelin protein P2 mutant L35S 分子名称: Myelin P2 protein, PALMITIC ACID, SULFATE ION 著者 Ruskamo, S, Lehtimaki, M, Kursula, P. 登録日 2020-01-22 公開日 2020-04-08 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Cryo-EM, X-ray diffraction, and atomistic simulations reveal determinants for the formation of a supramolecular myelin-like proteolipid lattice. J.Biol.Chem., 295, 2020
4WYO	Crystal structure of human-yeast chimera acetyl coA carboxylase CT domain bound to Compound 1 分子名称: 2'-tert-butyl-1-(2H-indazol-5-ylcarbonyl)-2'H-spiro[piperidine-4,5'-pyrano[3,2-c]pyrazol]-7'(6'H)-one, Acetyl-CoA carboxylase 著者 Vajdos, F.F. 登録日 2014-11-17 公開日 2015-01-14 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.89 Å) 主引用文献 Decreasing the Rate of Metabolic Ketone Reduction in the Discovery of a Clinical Acetyl-CoA Carboxylase Inhibitor for the Treatment of Diabetes. J.Med.Chem., 57, 2014
8A2B	EGFR kinase domain (L858R/V948R) in complex with 2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[6-[2-[4-[[4-(hydroxymethyl)-1-piperidyl]methyl]phenyl]ethynyl]-1-oxo-4-(trifluoromethyl)isoindolin-2-yl]-N-thiazol-2-yl-acetamide 分子名称: (2R)-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[5-[2-[4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]ethynyl]-3-oxidanylidene-7-(trifluoromethyl)-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)ethanamide, Epidermal growth factor receptor 著者 Kuglstatter, A, Ehler, A. 登録日 2022-06-03 公開日 2022-10-19 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.69 Å) 主引用文献 Discovery of Novel Allosteric EGFR L858R Inhibitors for the Treatment of Non-Small-Cell Lung Cancer as a Single Agent or in Combination with Osimertinib. J.Med.Chem., 65, 2022
8A2A	EGFR kinase domain in complex with 2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[6-[2-[4-[[4-(hydroxymethyl)-1-piperidyl]methyl]phenyl]ethynyl]-1-oxo-4-(trifluoromethyl)isoindolin-2-yl]-N-thiazol-2-yl-acetamide (form 2) 分子名称: (2R)-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[5-[2-[4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]ethynyl]-3-oxidanylidene-7-(trifluoromethyl)-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)ethanamide, Epidermal growth factor receptor, SULFATE ION 著者 Kuglstatter, A, Ehler, A. 登録日 2022-06-03 公開日 2022-10-19 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.43 Å) 主引用文献 Discovery of Novel Allosteric EGFR L858R Inhibitors for the Treatment of Non-Small-Cell Lung Cancer as a Single Agent or in Combination with Osimertinib. J.Med.Chem., 65, 2022
8A27	EGFR kinase domain in complex with 2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[6-[2-[4-[[4-(hydroxymethyl)-1-piperidyl]methyl]phenyl]ethynyl]-1-oxo-4-(trifluoromethyl)isoindolin-2-yl]-N-thiazol-2-yl-acetamide 分子名称: (2R)-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[5-[2-[4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]ethynyl]-3-oxidanylidene-7-(trifluoromethyl)-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)ethanamide, 1,2-ETHANEDIOL, Epidermal growth factor receptor, ... 著者 Kuglstatter, A, Ehler, A. 登録日 2022-06-02 公開日 2022-10-19 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.07 Å) 主引用文献 Discovery of Novel Allosteric EGFR L858R Inhibitors for the Treatment of Non-Small-Cell Lung Cancer as a Single Agent or in Combination with Osimertinib. J.Med.Chem., 65, 2022
1WKO	Terminal flower 1 (tfl1) from arabidopsis thaliana 分子名称: TERMINAL FLOWER 1 protein 著者 Miller, D, Banfield, M.J, Winter, V.J, Brady, R.L. 登録日 2004-06-01 公開日 2005-06-28 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 A divergent external loop confers antagonistic activity on floral regulators FT and TFL1. Embo J., 25, 2006
4X5W	HLA-DR1 with CLIP102-120(M107W) 分子名称: HLA class II histocompatibility antigen gamma chain, HLA class II histocompatibility antigen, DR alpha chain, ... 著者 Guenther, S, Freund, C. 登録日 2014-12-06 公開日 2016-03-09 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.34 Å) 主引用文献 MHC class II complexes sample intermediate states along the peptide exchange pathway. Nat Commun, 7, 2016
184L	SPECIFICITY OF LIGAND BINDING IN A BURIED NON-POLAR CAVITY OF T4 LYSOZYME: LINKAGE OF DYNAMICS AND STRUCTURAL PLASTICITY 分子名称: 2-HYDROXYETHYL DISULFIDE, CHLORIDE ION, ISOBUTYLBENZENE, ... 著者 Morton, A, Matthews, B.W. 登録日 1995-04-19 公開日 1995-07-10 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Specificity of ligand binding in a buried nonpolar cavity of T4 lysozyme: linkage of dynamics and structural plasticity. Biochemistry, 34, 1995
4X62	Crystal Structure of 30S ribosomal subunit from Thermus thermophilus 分子名称: 16S rRNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ... 著者 Demirci, H, Chen, J, Choi, J, Soltis, M, Puglisi, J.D. 登録日 2014-12-06 公開日 2015-11-18 最終更新日 2019-12-25 実験手法 X-RAY DIFFRACTION (3.4492 Å) 主引用文献 N(6)-methyladenosine in mRNA disrupts tRNA selection and translation-elongation dynamics. Nat.Struct.Mol.Biol., 23, 2016
4X65	Crystal Structure of 30S ribosomal subunit from Thermus thermophilus 分子名称: 16S rRNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ... 著者 Demirci, H, Chen, J, Choi, J, Soltis, M, Puglisi, J.D. 登録日 2014-12-06 公開日 2015-11-18 最終更新日 2019-12-25 実験手法 X-RAY DIFFRACTION (3.345 Å) 主引用文献 N(6)-methyladenosine in mRNA disrupts tRNA selection and translation-elongation dynamics. Nat.Struct.Mol.Biol., 23, 2016
8A2D	EGFR kinase domain (L858R/V948R) in complex with 2-[4-(difluoromethyl)-6-[2-[4-[[4-(hydroxymethyl)-1-piperidyl]methyl]phenyl]ethynyl]-7-methyl-indazol-2-yl]-2-spiro[6,7-dihydropyrrolo[1,2-c]imidazole-5,1'-cyclopropane]-1-yl-N-thiazol-2-yl-acetamide 分子名称: (2R)-2-[4-[bis(fluoranyl)methyl]-6-[2-[4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]ethynyl]-7-methyl-indazol-2-yl]-2-spiro[6,7-dihydropyrrolo[1,2-c]imidazole-5,1'-cyclopropane]-1-yl-N-(1,3-thiazol-2-yl)ethanamide, 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... 著者 Kuglstatter, A, Ehler, A. 登録日 2022-06-03 公開日 2022-10-19 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.11 Å) 主引用文献 Discovery of Novel Allosteric EGFR L858R Inhibitors for the Treatment of Non-Small-Cell Lung Cancer as a Single Agent or in Combination with Osimertinib. J.Med.Chem., 65, 2022
3IAW	Crystal structure of a chemically synthesized 203 amino acid 'covalent dimer' [Gly51;Aib51']HIV-1 protease molecule complexed with MVT-101 reduced isostere inhibitor at 1.6 A resolution 分子名称: N-{(2S)-2-[(N-acetyl-L-threonyl-L-isoleucyl)amino]hexyl}-L-norleucyl-L-glutaminyl-N~5~-[amino(iminio)methyl]-L-ornithinamide, SULFATE ION, [Gly51;Aib51'] 'covalent dimer' HIV-1 protease 著者 Torbeev, V.Y, Kent, S.B.H. 登録日 2009-07-14 公開日 2011-04-27 最終更新日 2012-12-12 実験手法 X-RAY DIFFRACTION (1.61 Å) 主引用文献 Protein conformational dynamics in the mechanism of HIV-1 protease catalysis. Proc.Natl.Acad.Sci.USA, 108, 2011
8A59	C-type lectin-like domain (CTLD) and Sushi-like domain of human CD93 分子名称: Complement component C1q receptor, GLYCEROL, SULFATE ION 著者 Tassone, G, Barbera, S, Raucci, L, Orlandini, M, Pozzi, C. 登録日 2022-06-14 公開日 2022-11-02 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (1.92 Å) 主引用文献 Dimerization of the C-type lectin-like receptor CD93 promotes its binding to Multimerin-2 in endothelial cells. Int.J.Biol.Macromol., 224, 2023
1NJ4	Crystal structure of a deacylation-defective mutant of penicillin-binding protein 5 at 1.9 A resolution 分子名称: Penicillin-binding protein 5 著者 Nicola, G, Nicholas, R.A, Davies, C. 登録日 2002-12-30 公開日 2003-01-07 最終更新日 2023-08-16 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Crystal structure of wild-type penicillin-binding protein 5 from Escherichia coli: implications for deacylation of the acyl-enzyme complex. J.Biol.Chem., 278, 2003
6XOG	Structure of SUMO1-ML786519 adduct bound to SAE 分子名称: SULFATE ION, SUMO-activating enzyme subunit 1, SUMO-activating enzyme subunit 2, ... 著者 Sintchak, M, Lane, W, Bump, N. 登録日 2020-07-07 公開日 2021-03-10 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.98 Å) 主引用文献 Discovery of TAK-981, a First-in-Class Inhibitor of SUMO-Activating Enzyme for the Treatment of Cancer. J.Med.Chem., 64, 2021
2RMB	Crystal structures of cyclophilin A complexed with cyclosporin A and N-methyl-4-[(E)-2-butenyl]-4,4-dimethylthreonine cyclosporin A 分子名称: CYCLOSPORIN A, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE 著者 Ke, H, Mayrose, D. 登録日 1994-01-07 公開日 1995-02-07 最終更新日 2017-11-01 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Crystal Structures of Cyclophilin a Complexed with Cyclosporin a and N-Methyl-4-[(E)-2-Butenyl]-4,4-Dimethylthreonine Cyclosporin A. Structure, 2, 1994
6XOH	Structure of SUMO1-ML00789344 adduct bound to SAE 分子名称: SULFATE ION, SUMO-activating enzyme subunit 1, SUMO-activating enzyme subunit 2, ... 著者 Sintchak, M, Lane, W, Bump, N. 登録日 2020-07-07 公開日 2021-03-24 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.226 Å) 主引用文献 Discovery of TAK-981, a First-in-Class Inhibitor of SUMO-Activating Enzyme for the Treatment of Cancer. J.Med.Chem., 64, 2021
8A02	Bacteriophage phiCjT23 major capsid protein trimer type 2 分子名称: Major capsid protein P5 著者 Rissanen, I, Kejzar, N, Huiskonen, J.T. 登録日 2022-05-26 公開日 2022-12-14 実験手法 ELECTRON MICROSCOPY (3.2 Å) 主引用文献 Cryo-EM structure of ssDNA bacteriophage Phi CjT23 provides insight into early virus evolution. Nat Commun, 13, 2022
6XOI	Structure of SUMO1-ML00752641 adduct bound to SAE 分子名称: SULFATE ION, SUMO-activating enzyme subunit 1, SUMO-activating enzyme subunit 2, ... 著者 Sintchak, M, Lane, W, Bump, N. 登録日 2020-07-07 公開日 2021-03-24 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Discovery of TAK-981, a First-in-Class Inhibitor of SUMO-Activating Enzyme for the Treatment of Cancer. J.Med.Chem., 64, 2021
3IIV	Evolutionary optimization of computationally designed enzymes: Kemp eliminases of the KE07 series 分子名称: KE7 KE7_R7_1/3H, MAGNESIUM ION 著者 Khersonsky, O, Dym, O, Tawfik, D.S. 登録日 2009-08-03 公開日 2010-03-02 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Evolutionary Optimization of Computationally Designed Enzymes: Kemp Eliminases of the KE07 Series. J.Mol.Biol., 396, 2010
4XGT	Structure of RNA Helicase FRH a Critical Component of the Neurospora Crassa Circadian Clock 分子名称: FRQ-interacting RNA helicase 著者 Conrad, K.S, Crane, B.C. 登録日 2015-01-02 公開日 2016-07-06 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (3.09 Å) 主引用文献 Structure of the frequency-interacting RNA helicase: a protein interaction hub for the circadian clock. Embo J., 35, 2016
8A05	Bacteriophage phiCjT23 spike protein penton domain 分子名称: Spike protein P13 N-terminal, capsid internal domain, Unknown vertex protein 著者 Rissanen, I, Huiskonen, J.T. 登録日 2022-05-26 公開日 2022-12-14 実験手法 ELECTRON MICROSCOPY (3.4 Å) 主引用文献 Cryo-EM structure of ssDNA bacteriophage Phi CjT23 provides insight into early virus evolution. Nat Commun, 13, 2022
7ZZZ	Bacteriophage phiCjT23 capsid 分子名称: Major capsid protein P5, Spike protein P13 N-terminal, capsid internal domain, ... 著者 Rissanen, I, Kejzar, N, Huiskonen, J.T. 登録日 2022-05-26 公開日 2022-12-14 実験手法 ELECTRON MICROSCOPY (4.1 Å) 主引用文献 Cryo-EM structure of ssDNA bacteriophage Phi CjT23 provides insight into early virus evolution. Nat Commun, 13, 2022
6X6F	The structure of Pf6r from the filamentous phage Pf6 of Pseudomonas aeruginosa PA01 分子名称: NITRATE ION, Pf6r 著者 Michie, K.A, Norrian, P, Duggin, I.G, McDougald, D, Rice, S.A. 登録日 2020-05-28 公開日 2021-04-07 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.735 Å) 主引用文献 The Repressor C Protein, Pf4r, Controls Superinfection of Pseudomonas aeruginosa PAO1 by the Pf4 Filamentous Phage and Regulates Host Gene Expression. Viruses, 13, 2021
7ZR5	CryoEM structure of HSP90-CDC37-BRAF(V600E)-PP5(closed) complex 分子名称: ADENOSINE-5'-TRIPHOSPHATE, Heat shock protein HSP 90-beta, Hsp90 co-chaperone Cdc37, ... 著者 Oberoi, J, Pearl, L.H. 登録日 2022-05-03 公開日 2022-12-14 最終更新日 2022-12-21 実験手法 ELECTRON MICROSCOPY (3.9 Å) 主引用文献 HSP90-CDC37-PP5 forms a structural platform for kinase dephosphorylation. Nat Commun, 13, 2022

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