PDB: 223790 件ウェブページステータス検索Chemie searchBIRD

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6DJ2	HIV-1 protease with single mutation L76V in complex with Lopinavir 分子名称: CHLORIDE ION, HIV-1 protease, N-{1-BENZYL-4-[2-(2,6-DIMETHYL-PHENOXY)-ACETYLAMINO]-3-HYDROXY-5-PHENYL-PENTYL}-3-METHYL-2-(2-OXO-TETRAHYDRO-PYRIMIDIN-1-YL)-BUTYRAMIDE, ... 著者 Wang, Y.-F, Wong-Sam, A.E, Zhang, Y, Weber, I.T. 登録日 2018-05-24 公開日 2018-10-17 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.36 Å) 主引用文献 Drug Resistance Mutation L76V Alters Nonpolar Interactions at the Flap-Core Interface of HIV-1 Protease. ACS Omega, 3, 2018
6DKP	The complex among DMF5(alpha-D26Y, alpha-Y50A,beta-L98W) TCR, human Class I MHC HLA-A2 and MART-1(26-35)(A27L) peptide 分子名称: Beta-2-microglobulin, DMF5 T-cell Receptor Alpha Chain fusion, DMF5 T-cell Receptor Beta Chain fusion, ... 著者 Hellman, L.M, Singh, N.K. 登録日 2018-05-30 公開日 2019-04-10 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.966 Å) 主引用文献 Improving T Cell Receptor On-Target Specificity via Structure-Guided Design. Mol. Ther., 27, 2019
6DMR	Lipid-bound full-length rbTRPV5 分子名称: Transient receptor potential cation channel subfamily V member 5 著者 Hughes, T.E.T, Pumroy, R.A, Moiseenkova-Bell, V.Y. 登録日 2018-06-05 公開日 2018-10-24 最終更新日 2024-03-13 実験手法 ELECTRON MICROSCOPY (3.9 Å) 主引用文献 Structural insights on TRPV5 gating by endogenous modulators. Nat Commun, 9, 2018
6DAR	Discovery of Potent 2-Aryl-6,7-Dihydro-5HPyrrolo[ 1,2-a]imidazoles as WDR5 WIN-site Inhibitors Using Fragment-Based Methods and Structure-Based Design 分子名称: DIMETHYL SULFOXIDE, N-(cyclopropylmethyl)-N-{[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl}-3-methoxybenzamide, SULFATE ION, ... 著者 Phan, J, Fesik, S.W. 登録日 2018-05-01 公開日 2018-09-05 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.88 Å) 主引用文献 Discovery of Potent 2-Aryl-6,7-dihydro-5 H-pyrrolo[1,2- a]imidazoles as WDR5-WIN-Site Inhibitors Using Fragment-Based Methods and Structure-Based Design. J. Med. Chem., 61, 2018
6DNA	Crystal structure of T110A mutant human Glutamate oxaloacetate transaminase 1 (GOT1) 分子名称: Aspartate aminotransferase, cytoplasmic, PYRIDOXAL-5'-PHOSPHATE, ... 著者 Assar, Z, Holt, M.C, Stein, A.J, Lairson, L, Lyssiotis, C.A. 登録日 2018-06-06 公開日 2018-11-14 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (3 Å) 主引用文献 Biochemical Characterization and Structure-Based Mutational Analysis Provide Insight into the Binding and Mechanism of Action of Novel Aspartate Aminotransferase Inhibitors. Biochemistry, 57, 2018
6DO6	NMR solution structure of wild type apo hFABP1 at 308 K 分子名称: Fatty acid-binding protein, liver 著者 Scanlon, M.J, Mohanty, B, Doak, B.C, Patil, R. 登録日 2018-06-09 公開日 2018-12-26 最終更新日 2024-05-01 実験手法 SOLUTION NMR 主引用文献 A ligand-induced structural change in fatty acid-binding protein 1 is associated with potentiation of peroxisome proliferator-activated receptor alpha agonists. J. Biol. Chem., 294, 2019
8OKX	Structure of cGAS in complex with SPSB3-ELOBC 分子名称: Cyclic GMP-AMP synthase, Elongin-B, Elongin-C, ... 著者 Xu, P.B, Ablasser, A. 登録日 2023-03-29 公開日 2024-02-14 最終更新日 2024-04-10 実験手法 ELECTRON MICROSCOPY (3.51 Å) 主引用文献 The CRL5-SPSB3 ubiquitin ligase targets nuclear cGAS for degradation. Nature, 627, 2024
6DBP	RNA-recognition motif 1 of human MSI2 分子名称: RNA-binding protein Musashi homolog 2 著者 Goldgur, Y, Kharas, M.G, Minuesa, G. 登録日 2018-05-03 公開日 2019-05-08 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.603 Å) 主引用文献 Small-molecule targeting of MUSASHI RNA-binding activity in acute myeloid leukemia. Nat Commun, 10, 2019
6D4O	Eubacterium eligens beta-glucuronidase bound to an amoxapine-glucuronide conjugate 分子名称: (5aR,9aR)-2-chloro-11-(4-beta-D-glucopyranuronosylpiperazin-1-yl)-5a,6,9,9a-tetrahydrodibenzo[b,f][1,4]oxazepine, Beta-glucuronidase, CHLORIDE ION, ... 著者 Pellock, S.J, Walton, W.G, Redinbo, M.R. 登録日 2018-04-18 公開日 2018-07-25 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (2.9 Å) 主引用文献 Gut Microbial beta-Glucuronidase Inhibition via Catalytic Cycle Interception. ACS Cent Sci, 4, 2018
6D5J	Ras:SOS:Ras in complex with a small molecule activator 分子名称: 6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-(piperazin-1-yl)-1H-benzimidazole, FORMIC ACID, GLYCEROL, ... 著者 Phan, J, Hodges, T, Fesik, S.W. 登録日 2018-04-19 公開日 2018-09-19 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (1.751 Å) 主引用文献 Discovery and Structure-Based Optimization of Benzimidazole-Derived Activators of SOS1-Mediated Nucleotide Exchange on RAS. J. Med. Chem., 61, 2018
7CW1	Crystal structure of a biodegradable plastic-degrading cutinase-like enzyme from the phyllosphere yeast, Pseudozyma antarctica, solved by getting the phase from anomalous scattering of uncovalently coordinated arsenic (cacodylate). 分子名称: CACODYLIC ACID, Cutinase-like enzyme, SODIUM ION 著者 Suzuki, K. 登録日 2020-08-27 公開日 2020-09-16 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Crystal structure of a biodegradable plastic-degrading cutinase-like enzyme from the phyllosphere yeast, Pseudozyma antarctica, solved by getting the phase from anomalous scattering of uncovalently coordinated arsenic (cacodylate). To Be Published
6DEB	Crystal Structure of Bifunctional Enzyme FolD-Methylenetetrahydrofolate Dehydrogenase/Cyclohydrolase in the Complex with Methotrexate from Campylobacter jejuni 分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Bifunctional protein FolD, ... 著者 Kim, Y, Makowska-Grzyska, M, Maltseva, N, Grimshaw, S, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) 登録日 2018-05-11 公開日 2018-05-23 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Crystal Structure of Bifunctional Enzyme FolD-Methylenetetrahydrofolate Dehydrogenase/Cyclohydrolase in the Complex with Methotrexate from Campylobacter jejuni To Be Published
7CGT	RAMEB COMPLEX OF CYCLODEXTRIN GLYCOSYLTRANSFERASE MUTANT 分子名称: CALCIUM ION, CYCLODEXTRIN GLYCOSYLTRANSFERASE 著者 Parsiegla, G, Schulz, G.E. 登録日 1998-06-06 公開日 1998-08-12 最終更新日 2021-11-03 実験手法 X-RAY DIFFRACTION (3 Å) 主引用文献 Substrate binding to a cyclodextrin glycosyltransferase and mutations increasing the gamma-cyclodextrin production. Eur.J.Biochem., 255, 1998
6DEM	Crystal structure of Candida albicans acetohydroxyacid synthase in complex with the herbicide bensulfuron methyl 分子名称: (3Z)-4-{[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]AMINO}-3-MERCAPTOPENT-3-EN-1-YL TRIHYDROGEN DIPHOSPHATE, Acetolactate synthase, FLAVIN-ADENINE DINUCLEOTIDE, ... 著者 Garcia, M.D, Guddat, L.W. 登録日 2018-05-12 公開日 2018-09-26 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.038 Å) 主引用文献 Commercial AHAS-inhibiting herbicides are promising drug leads for the treatment of human fungal pathogenic infections. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6D6N	The structure of ligand binding domain of LasR in complex with TP-1 homolog, compound 16 分子名称: 2,4-dibromo-6-{[(2-nitrobenzene-1-carbonyl)amino]methyl}phenyl 4-methoxybenzoate, PHENYLALANINE, Transcriptional activator protein LasR 著者 Dong, S.H, Nair, S.K. 登録日 2018-04-21 公開日 2018-08-08 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.81 Å) 主引用文献 Structural and Biochemical Studies of Non-native Agonists of the LasR Quorum-Sensing Receptor Reveal an L3 Loop "Out" Conformation for LasR. Cell Chem Biol, 25, 2018
8OL1	cGAS-Nucleosome in complex with SPSB3-ELOBC (composite structure) 分子名称: Cyclic GMP-AMP synthase, DNA (145-MER), Elongin-B, ... 著者 Xu, P.B, Ablasser, A. 登録日 2023-03-29 公開日 2024-02-14 最終更新日 2024-04-10 実験手法 ELECTRON MICROSCOPY (3.5 Å) 主引用文献 The CRL5-SPSB3 ubiquitin ligase targets nuclear cGAS for degradation. Nature, 627, 2024
6DGT	Selective PI3K beta inhibitor bound to PI3K delta 分子名称: 4-[1-(5,8-difluoroquinolin-4-yl)-2-methyl-4-(4H-1,2,4-triazol-3-yl)-1H-benzimidazol-6-yl]-3-fluoropyridin-2-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform 著者 Somoza, J, Villasenor, A, McGrath, M. 登録日 2018-05-18 公開日 2018-08-01 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (2.601 Å) 主引用文献 Atropisomerism by Design: Discovery of a Selective and Stable Phosphoinositide 3-Kinase (PI3K) beta Inhibitor. J. Med. Chem., 61, 2018
6D8N	Group I self-splicing intron P4-P6 domain mutant G134A/U185AA 分子名称: Group I self-splicing intron, MAGNESIUM ION 著者 Shoffner, G.M. 登録日 2018-04-26 公開日 2018-07-18 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (3.95427132 Å) 主引用文献 In Crystallo Selection to Establish New RNA Crystal Contacts. Structure, 26, 2018
6DHI	Butelase 1: Auto-Catalytic Cleavage as an Evolutionary Constraint for Macrocyclizing Endopeptidases 分子名称: Asparaginyl endopeptidase 著者 Bond, C.S, Haywood, J. 登録日 2018-05-20 公開日 2018-08-15 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (3.1 Å) 主引用文献 The macrocyclizing protease butelase 1 remains autocatalytic and reveals the structural basis for ligase activity. Plant J., 98, 2019
6D8V	Methyl-accepting Chemotaxis protein X 分子名称: 1,1-DIMETHYL-PROLINIUM, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Probable chemoreceptor (Methyl-accepting chemotaxis) transmembrane protein 著者 Shrestha, M, Schubot, F.D. 登録日 2018-04-27 公開日 2019-04-17 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 Structure of the sensory domain of McpX fromSinorhizobium meliloti, the first known bacterial chemotactic sensor for quaternary ammonium compounds. Biochem. J., 475, 2018
6DHU	Crystal structure of Tdp1 catalytic domain in complex with Zenobia fragment ZT0911 from cocktail soak 分子名称: 1,2-ETHANEDIOL, Tyrosyl-DNA phosphodiesterase 1, benzene-1,2,4-tricarboxylic acid 著者 Lountos, G.T, Zhao, X.Z, Kiselev, E, Tropea, J.E, Needle, D, Burke Jr, T.R, Pommier, Y, Waugh, D.S. 登録日 2018-05-21 公開日 2019-05-29 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.63 Å) 主引用文献 Identification of a ligand binding hot spot and structural motifs replicating aspects of tyrosyl-DNA phosphodiesterase I (TDP1) phosphoryl recognition by crystallographic fragment cocktail screening. Nucleic Acids Res., 47, 2019
6DIE	Crystal structure of Tdp1 catalytic domain in complex with Zenobia fragment benzene-1,2,4-tricarboxylic acid from single soak 分子名称: 1,2-ETHANEDIOL, Tdp1 catalytic domain (residues 149-609), benzene-1,2,4-tricarboxylic acid 著者 Lountos, G.T, Zhao, X.Z, Kiselev, E, Tropea, J.E, Needle, D, Burke Jr, T.R, Pommier, Y, Waugh, D.S. 登録日 2018-05-23 公開日 2019-05-29 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.78 Å) 主引用文献 Identification of a ligand binding hot spot and structural motifs replicating aspects of tyrosyl-DNA phosphodiesterase I (TDP1) phosphoryl recognition by crystallographic fragment cocktail screening. Nucleic Acids Res., 47, 2019
6DIQ	Crystal structure of HCV NS3/4A protease in complex with P4-P5-1 (WK-23) 分子名称: GLYCEROL, NS3 protease, SULFATE ION, ... 著者 Matthew, A.N, Schiffer, C.A. 登録日 2018-05-23 公開日 2019-07-31 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.579 Å) 主引用文献 Design of Hepatitis C NS3/4A Protease Inhibitors Leveraging Untapped Regions of the Substrate Envelope To Be Published
7CT3	Crystal Structure of MglC from Myxococcus xanthus 分子名称: Mutual gliding motility protein C (MglC), SODIUM ION 著者 Thakur, K.G, Kapoor, S, Kodesia, A. 登録日 2020-08-17 公開日 2021-01-27 最終更新日 2021-07-14 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 Structural characterization of Myxococcus xanthus MglC, a component of the polarity control system, and its interactions with its paralog MglB. J.Biol.Chem., 296, 2021
6DIW	Crystal structure of HCV NS3/4A D168A protease in complex with P4-1 (AJ-71) 分子名称: 1,1,1-trifluoro-2-methylpropan-2-yl [(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5, 16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6- yl]carbamate, GLYCEROL, ... 著者 Matthew, A.N, Schiffer, C.A. 登録日 2018-05-23 公開日 2019-07-31 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Design of Hepatitis C NS3/4A Protease Inhibitors Leveraging Untapped Regions of the Substrate Envelope To Be Published

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