PDB: 31311 件ウェブページステータス検索Chemie searchBIRD

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8EL1	Structure of MBP-Mcl-1 in complex with ABBV-467 分子名称: (7R,16R)-19,23-dichloro-10-{[2-(4-{[(2R)-1,4-dioxan-2-yl]methoxy}phenyl)pyrimidin-4-yl]methoxy}-1-(4-fluorophenyl)-20,22-dimethyl-16-[(4-methylpiperazin-1-yl)methyl]-7,8,15,16-tetrahydro-18,21-etheno-13,9-(metheno)-6,14,17-trioxa-2-thia-3,5-diazacyclononadeca[1,2,3-cd]indene-7-carboxylic acid, Maltose/maltodextrin-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose 著者 Judge, R.A, Judd, A.S, Souers, A.J. 登録日 2022-09-22 公開日 2023-10-25 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.406 Å) 主引用文献 Selective MCL-1 inhibitor ABBV-467 is efficacious in tumor models but is associated with cardiac troponin increases in patients. Commun Med (Lond), 3, 2023
4ZLX	N-terminal DNA binding domain of the antitoxin Phd from phage P1 分子名称: ACETATE ION, Antitoxin phd 著者 Garcia-Pino, A, Loris, R. 登録日 2015-05-01 公開日 2016-04-20 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.31 Å) 主引用文献 An intrinsically disordered entropic switch determines allostery in Phd-Doc regulation. Nat.Chem.Biol., 12, 2016
8EL3	Light harvesting phycobiliprotein HaPE555 from the cryptophyte Hemiselmis andersenii CCMP644 in a loose interface filament 分子名称: DiCys-(15,16)-Dihydrobiliverdin, PHYCOERYTHROBILIN, Phycoerythrin alpha-1 subunit, ... 著者 Rathbone, H.W, Michie, K.A, Laos, A.L, Curmi, P.M.G. 登録日 2022-09-23 公開日 2023-10-25 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.57 Å) 主引用文献 Molecular dissection of the soluble photosynthetic antenna from the cryptophyte alga Hemiselmis andersenii. Commun Biol, 6, 2023
6VKF	CCHFV GP38 (IbAr10200) 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, GP38 著者 Mishra, A.K, McLellan, J.S. 登録日 2020-01-20 公開日 2020-02-05 最終更新日 2020-07-29 実験手法 X-RAY DIFFRACTION (2.524 Å) 主引用文献 Structure and Characterization of Crimean-Congo Hemorrhagic Fever Virus GP38. J.Virol., 94, 2020
8ESF	Crystal structure of human Nischarin PX and LRR domains with engineered mutations 分子名称: IMIDAZOLE, Nischarin 著者 Eldershaw, D.E, Collins, B.M. 登録日 2022-10-13 公開日 2023-10-25 実験手法 X-RAY DIFFRACTION (2.56 Å) 主引用文献 Crystal structure of human Nischarin PX and LRR domains with engineered mutations To Be Published
5KWW	Crystal Structure of Inhibitor JNJ-53718678 In Complex with Prefusion RSV F Glycoprotein 分子名称: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-[[5-chloranyl-1-(3-methylsulfonylpropyl)indol-2-yl]methyl]-1-[2,2,2-tris(fluoranyl)ethyl]imidazo[4,5-c]pyridin-2-one, ... 著者 McLellan, J.S, Battles, M.B, Arnoult, E, Roymans, D, Langedijk, J.P. 登録日 2016-07-19 公開日 2017-08-02 最終更新日 2024-10-16 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Therapeutic efficacy of a respiratory syncytial virus fusion inhibitor. Nat Commun, 8, 2017
8I2E	Crystal structure of Bacillus subtilis LytE in complex with IseA 分子名称: Probable peptidoglycan endopeptidase LytE, Uncharacterized protein YoeB 著者 Tandukar, S, Kwon, E, Kim, D.Y. 登録日 2023-01-14 公開日 2023-04-05 最終更新日 2023-05-17 実験手法 X-RAY DIFFRACTION (3.2 Å) 主引用文献 Structural insights into the regulation of peptidoglycan DL-endopeptidases by inhibitory protein IseA. Structure, 31, 2023
8EI4	Crystal structure of the WWP1 HECT domain in complex with H302, a Helicon Polypeptide 分子名称: 1,2-ETHANEDIOL, H302, N,N'-(1,4-phenylene)diacetamide, ... 著者 Li, K, Tokareva, O.S, Thomson, T.M, Verdine, G.L, McGee, J.H. 登録日 2022-09-14 公開日 2023-10-25 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (2.43 Å) 主引用文献 Recognition and reprogramming of E3 ubiquitin ligase surfaces by alpha-helical peptides. Nat Commun, 14, 2023
8EIA	Crystal structure of beta-catenin and the MDM2 p53-binding domain in complex with H333, a Helicon Polypeptide 分子名称: Catenin beta-1, E3 ubiquitin-protein ligase Mdm2, H333, ... 著者 Li, K, Travaline, T.L, Swiecicki, J.-M, Tokareva, O.S, Thomson, T.M, Verdine, G.L, McGee, J.H. 登録日 2022-09-14 公開日 2023-10-25 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (3.6 Å) 主引用文献 Recognition and reprogramming of E3 ubiquitin ligase surfaces by alpha-helical peptides. Nat Commun, 14, 2023
4YXQ	PksG, a HMG-CoA Synthase from Bacillus subtilis 分子名称: DI(HYDROXYETHYL)ETHER, Polyketide biosynthesis 3-hydroxy-3-methylglutaryl-ACP synthase PksG 著者 Nair, A.V, Race, P.R, Till, M. 登録日 2015-03-23 公開日 2016-06-29 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (2.47 Å) 主引用文献 PksG, a HMG-CoA Synthase from Bacillus subtilis To Be Published
8EU1	Ancestral PETase 35_442 Mutant F93L 分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Polyethylene terephthalate hydrolase, ... 著者 Saunders, J.W, Frkic, R.L, Jackson, C.J. 登録日 2022-10-18 公開日 2023-11-01 実験手法 X-RAY DIFFRACTION (2.23 Å) 主引用文献 Ancestral PETase 35_442 Mutant F93L To Be Published
5L5N	Plexin A4 full extracellular region, domains 1 to 7 modeled, data to 8.5 angstrom, spacegroup P4(3)22 分子名称: Plexin-A4 著者 Janssen, B.J.C, Kong, Y, Malinauskas, T, Vangoor, V.R, Coles, C.H, Kaufmann, R, Ni, T, Gilbert, R.J.C, Padilla-Parra, S, Pasterkamp, R.J, Jones, E.Y. 登録日 2016-05-28 公開日 2016-07-06 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (8.502 Å) 主引用文献 Structural Basis for Plexin Activation and Regulation. Neuron, 91, 2016
8EL6	Light harvesting phycobiliprotein HaPE555 from the cryptophyte Hemiselmis andersenii CCMP644 with an altered helix hA/hY conformation 分子名称: DiCys-(15,16)-Dihydrobiliverdin, PHYCOERYTHROBILIN, Phycoerythrin alpha-1 subunit, ... 著者 Rathbone, H.W, Michie, K.A, Laos, A.L, Curmi, P.M.G. 登録日 2022-09-23 公開日 2023-10-25 最終更新日 2024-10-16 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Molecular dissection of the soluble photosynthetic antenna from the cryptophyte alga Hemiselmis andersenii. Commun Biol, 6, 2023
8EVN	Sulfatase from Mycobacterium tuberculosis (Rv3406) in complex with N-oxalylglycine (NOG) 分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Alpha-ketoglutarate-dependent sulfate ester dioxygenase, N-OXALYLGLYCINE, ... 著者 Juan, T.-J, Leung, I, Squire, C.J. 登録日 2022-10-20 公開日 2023-10-25 実験手法 X-RAY DIFFRACTION (2.644 Å) 主引用文献 Sulfatase from Mycobacterium tuberculosis (Rv3406) in complex with inhibitors NOG and FG2216 To Be Published
8HYH	Structure of amino acid dehydrogenase3448 分子名称: 1,2-ETHANEDIOL, Alanine dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... 著者 Sakuraba, H, Ohshima, T. 登録日 2023-01-06 公開日 2023-04-05 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (2.39 Å) 主引用文献 Two different alanine dehydrogenases from Geobacillus kaustophilus: Their biochemical characteristics and differential expression in vegetative cells and spores. Biochim Biophys Acta Proteins Proteom, 1871, 2023
8IGN	Crystal structure of SARS-CoV-2 main protease in complex with RAY1216 分子名称: (3~{S},3~{a}~{S},6~{a}~{R})-2-[(2~{S})-2-cyclohexyl-2-[2,2,2-tris(fluoranyl)ethanoylamino]ethanoyl]-~{N}-[(2~{S})-4-(cyclopentylamino)-3,4-bis(oxidanylidene)-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]-3,3~{a},4,5,6,6~{a}-hexahydro-1~{H}-cyclopenta[c]pyrrole-3-carboxamide, 3C-like proteinase nsp5 著者 Huang, X, Zhou, B, Xu, J, Yang, Z, Zhong, N, Xiong, X. 登録日 2023-02-21 公開日 2023-04-05 最終更新日 2024-08-14 実験手法 X-RAY DIFFRACTION (2.02 Å) 主引用文献 Preclinical evaluation of the SARS-CoV-2 M pro inhibitor RAY1216 shows improved pharmacokinetics compared with nirmatrelvir. Nat Microbiol, 9, 2024
8EI7	Crystal structure of the WWP2 HECT domain in complex with H304, a Helicon Polypeptide 分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... 著者 Li, K, Tokareva, O.S, Thomson, T.M, Verdine, G.L, McGee, J.H. 登録日 2022-09-14 公開日 2023-10-25 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (2.22 Å) 主引用文献 Recognition and reprogramming of E3 ubiquitin ligase surfaces by alpha-helical peptides. Nat Commun, 14, 2023
4ZDU	Crystal structure of importin-alpha bound to a non-classical nuclear localization signal of the influenza A virus nucleoprotein 分子名称: Importin subunit alpha-1, Peptide from Nucleoprotein 著者 Nakada, R, Hirano, H, Matsuura, Y. 登録日 2015-04-19 公開日 2015-10-21 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Structure of importin-alpha bound to a non-classical nuclear localization signal of the influenza A virus nucleoprotein Sci Rep, 5, 2015
8EL5	Light harvesting phycobiliprotein HaPE555 from the cryptophyte Hemiselmis andersenii CCMP644 in an alternating tight to loose interface filament 分子名称: DiCys-(15,16)-Dihydrobiliverdin, GLYCEROL, PHYCOERYTHROBILIN, ... 著者 Rathbone, H.W, Michie, K.A, Laos, A.L, Curmi, P.M.G. 登録日 2022-09-23 公開日 2023-10-25 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.67 Å) 主引用文献 Molecular dissection of the soluble photosynthetic antenna from the cryptophyte alga Hemiselmis andersenii. Commun Biol, 6, 2023
4ZE3	Saccharomyces cerevisiae CYP51 (Lanosterol 14-alpha demethylase) Y140H mutant complexed with fluconazole 分子名称: 2-(2,4-DIFLUOROPHENYL)-1,3-DI(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL, Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE 著者 Sagatova, A, Keniya, M.V, Wilson, R, Monk, B.C, Tyndall, J.D.A. 登録日 2015-04-20 公開日 2016-03-30 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Triazole resistance mediated by mutations of a conserved active site tyrosine in fungal lanosterol 14 alpha-demethylase. Sci Rep, 6, 2016
5L72	PI3 kinase delta in complex with N-[6-(5-methanesulfonamido-6-methoxypyridin-3-yl)-1,3-dihydro-2-benzofuran-4-yl]-2-(morpholin-4-yl)acetamide 分子名称: N-[6-(5-methanesulfonamido-6-methoxypyridin-3-yl)-1,3-dihydro-2-benzofuran-4-yl]-2-(morpholin-4-yl)acetamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform 著者 Rowland, P. 登録日 2016-06-01 公開日 2016-07-27 最終更新日 2024-06-19 実験手法 X-RAY DIFFRACTION (3.06 Å) 主引用文献 Evolution of a Novel, Orally Bioavailable Series of PI3K delta Inhibitors from an Inhaled Lead for the Treatment of Respiratory Disease. J.Med.Chem., 59, 2016
8ETY	Ancestral PETase 35_442 分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... 著者 Saunders, J.W, Frkic, R.L, Jackson, C.J. 登録日 2022-10-18 公開日 2023-11-01 実験手法 X-RAY DIFFRACTION (1.54 Å) 主引用文献 Ancestral PETase 35_442 To Be Published
8I5I	Crystal structure of SARS-CoV-2 delta variant spike receptor-binding domain (RBD) in complex with NCV2SG53 Fab 分子名称: Fab Heavy chain, Fab Light chain, Spike protein S1 著者 Yamamoto, A, Higashiura, A. 登録日 2023-01-25 公開日 2023-04-19 最終更新日 2024-10-30 実験手法 X-RAY DIFFRACTION (3.06 Å) 主引用文献 Structural basis of spike RBM-specific human antibodies counteracting broad SARS-CoV-2 variants. Commun Biol, 6, 2023
8IGO	Crystal structure of apo SARS-CoV-2 main protease 分子名称: 3C-like proteinase nsp5 著者 Huang, X, Zhou, B, Xu, J, Yang, Z, Zhong, N, Xiong, X. 登録日 2023-02-21 公開日 2023-04-05 最終更新日 2024-04-17 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Preclinical evaluation of the SARS-CoV-2 M pro inhibitor RAY1216 shows improved pharmacokinetics compared with nirmatrelvir. Nat Microbiol, 9, 2024
8IFO	Crystal structure of estrogen related receptor-gamma DNA binding domain complexed with Pla2g12b promoter 分子名称: DNA (5'-D(*GP*AP*GP*GP*AP*CP*AP*AP*AP*GP*GP*TP*GP*AP*AP*AP*C)-3'), DNA (5'-D(*GP*TP*TP*TP*CP*AP*CP*CP*TP*TP*TP*GP*TP*CP*CP*TP*C)-3'), Estrogen-related receptor gamma, ... 著者 Xu, T, Zhen, X, Liu, J. 登録日 2023-02-19 公開日 2023-03-29 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 ERR gamma-DBD undergoes dimerization and conformational rearrangement upon binding to the downstream site of the DR1 element. Biochem.Biophys.Res.Commun., 656, 2023

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