PDB: 56024 件ウェブページステータス検索Chemie searchBIRD

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7KG8	Structure of human PARG complexed with PARG-061 分子名称: 1,3-dimethyl-8-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-6-sulfanylidene-1,3,6,7-tetrahydro-2H-purin-2-one, CACODYLATE ION, DIMETHYL SULFOXIDE, ... 著者 Brosey, C.A, Balapiti-Modarage, L.P.F, Warden, L.S, Jones, D.E, Ahmed, Z, Tainer, J.A. 登録日 2020-10-16 公開日 2021-03-10 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.43 Å) 主引用文献 Targeting SARS-CoV-2 Nsp3 macrodomain structure with insights from human poly(ADP-ribose) glycohydrolase (PARG) structures with inhibitors. Prog.Biophys.Mol.Biol., 163, 2021
5CBK	Crystal structure of the strigolactone receptor ShHTL5 from Striga hermonthica 分子名称: 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, CHLORIDE ION, MAGNESIUM ION, ... 著者 Stogios, P.J, Onopriyenko, O, Yim, V, Savchenko, A. 登録日 2015-07-01 公開日 2015-10-21 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.462 Å) 主引用文献 Structure-function analysis identifies highly sensitive strigolactone receptors in Striga. Science, 350, 2015
3JTA	Structure of neuronal nitric oxide synthase heme domain in the ferrous state complexed with N~5~-[4-(methylsulfanyl)butanimidoyl]-L-ornithine 分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, Nitric oxide synthase, ... 著者 Li, H, Poulos, T.L. 登録日 2009-09-11 公開日 2010-01-12 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2.18 Å) 主引用文献 Heme-coordinating inhibitors of neuronal nitric oxide synthase. Iron-thioether coordination is stabilized by hydrophobic contacts without increased inhibitor potency. J.Am.Chem.Soc., 132, 2010
6L7Y	Crystal structure of Cet1 from Trypanosoma cruzi in complex with #466 ligand. 分子名称: 3,4,6,7-tetrahydroacridine-1,8(2H,5H)-dione, SULFATE ION, mRNA_triPase domain-containing protein 著者 Kuwabara, N, Ho, K. 登録日 2019-11-03 公開日 2020-06-03 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (2.51 Å) 主引用文献 Crystal structures of the RNA triphosphatase fromTrypanosoma cruziprovide insights into how it recognizes the 5'-end of the RNA substrate. J.Biol.Chem., 295, 2020
3K2R	Crystal Structure of Spin Labeled T4 Lysozyme Mutant K65V1/R76V1 分子名称: CHLORIDE ION, HEXANE-1,6-DIOL, Lysozyme, ... 著者 Toledo Warshaviak, D, Cascio, D, Khramtsov, V.V, Hubbell, W.L. 登録日 2009-09-30 公開日 2010-10-13 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Crystal Structure of Spin Labeled T4 Lysozyme Mutant K65V1/R76V1 To be Published
4YBB	High-resolution structure of the Escherichia coli ribosome 分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 1,4-DIAMINOBUTANE, ... 著者 Noeske, J, Wasserman, M.R, Terry, D.S, Altman, R.B, Blanchard, S.C, Cate, J.H.D. 登録日 2015-02-18 公開日 2015-03-18 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 High-resolution structure of the Escherichia coli ribosome. Nat.Struct.Mol.Biol., 22, 2015
7KPU	Crystal structure of human NatD (NAA40) bound to a bisubstrate analogue with a C-3 linker 分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETYL GROUP, AMINO GROUP, ... 著者 Deng, S, Marmorstein, R. 登録日 2020-11-12 公開日 2021-06-16 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.43 Å) 主引用文献 Novel Bisubstrate Inhibitors for Protein N-Terminal Acetyltransferase D. J.Med.Chem., 64, 2021
5FVU	Structure of human nNOS R354A G357D mutant heme domain in complex with 4-methyl-6-(2-(5-(4-methylpiperazin-1-yl)pyridin-3-yl)ethyl) pyridin-2-amine 分子名称: 1,2-ETHANEDIOL, 4-methyl-6-(2-(5-(4-methylpiperazin-1-yl)pyridin-3-yl)ethyl)pyridin-2-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, ... 著者 Li, H, Poulos, T.L. 登録日 2016-02-10 公開日 2016-04-20 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (2.224 Å) 主引用文献 Potent and Selective Human Neuronal Nitric Oxide Synthase Inhibition by Optimization of the 2-Aminopyridine-Based Scaffold with a Pyridine Linker. J.Med.Chem., 59, 2016
5FVP	Structure of rat neuronal nitric oxide synthase heme domain in complex with 4-methyl-6-[2-(5-morpholin-4-ylpyridin-3-yl)ethyl]pyridin-2-amine 分子名称: 4-methyl-6-[2-(5-morpholin-4-ylpyridin-3-yl)ethyl]pyridin-2-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ... 著者 Li, H, Poulos, T.L. 登録日 2016-02-10 公開日 2016-04-20 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (2.099 Å) 主引用文献 Potent and Selective Human Neuronal Nitric Oxide Synthase Inhibition by Optimization of the 2-Aminopyridine-Based Scaffold with a Pyridine Linker. J.Med.Chem., 59, 2016
6EV7	Structure of E282D A. niger Fdc1 with prFMN in the iminium form 分子名称: 1-deoxy-5-O-phosphono-1-(3,3,4,5-tetramethyl-9,11-dioxo-2,3,8,9,10,11-hexahydro-7H-quinolino[1,8-fg]pteridin-12-ium-7-y l)-D-ribitol, Ferulic acid decarboxylase 1, MANGANESE (II) ION, ... 著者 Bailey, S.S, Leys, D, Payne, K.A.P. 登録日 2017-11-01 公開日 2017-12-20 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.06 Å) 主引用文献 The role of conserved residues in Fdc decarboxylase in prenylated flavin mononucleotide oxidative maturation, cofactor isomerization, and catalysis. J. Biol. Chem., 293, 2018
6EVA	Structure of E277Q A. niger fdc1 in complex with a phenylpyruvate derived adduct to the prenylated flavin cofactor 分子名称: 1-deoxy-5-O-phosphono-1-[(1S)-3,3,4,5-tetramethyl-9,11-dioxo-1-(phenylacetyl)-2,3,8,9,10,11-hexahydro-1H,7H-quinolino[1 ,8-fg]pteridin-7-yl]-D-ribitol, Ferulic acid decarboxylase 1, MANGANESE (II) ION, ... 著者 Bailey, S.S, David, L, Payne, K.A.P. 登録日 2017-11-01 公開日 2017-12-20 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.64 Å) 主引用文献 The role of conserved residues in Fdc decarboxylase in prenylated flavin mononucleotide oxidative maturation, cofactor isomerization, and catalysis. J. Biol. Chem., 293, 2018
5G6F	Structure of Bacillus subtilis Nitric Oxide Synthase in complex with 7-(((3-((Dimethylamino)methyl)phenyl)amino)methyl) quinolin-2-amine 分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[[[3-[(dimethylamino)methyl]phenyl]amino]methyl]quinolin-2-amine, CHLORIDE ION, ... 著者 Holden, J.K, Poulos, T.L. 登録日 2016-06-18 公開日 2016-09-21 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.26 Å) 主引用文献 Targeting Bacterial Nitric Oxide Synthase with Aminoquinoline-Based Inhibitors. Biochemistry, 55, 2016
6L35	PSI-LHCI Supercomplex from Physcometrella patens 分子名称: (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ... 著者 Zhao, L, Yan, Q.J, Qin, X.C. 登録日 2019-10-09 公開日 2021-02-10 最終更新日 2021-03-03 実験手法 ELECTRON MICROSCOPY (3.23 Å) 主引用文献 Antenna arrangement and energy-transfer pathways of PSI-LHCI from the moss Physcomitrella patens. Cell Discov, 7, 2021
7KI0	Semaglutide-bound Glucagon-Like Peptide-1 (GLP-1) Receptor in Complex with Gs protein 分子名称: 17-amino-10-oxo-3,6,12,15-tetraoxa-9-azaheptadecan-1-oic acid, Glucagon-like peptide 1 receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... 著者 Zhang, X, Belousoff, M.J, Danev, R, Sexton, P.M, Wootten, D. 登録日 2020-10-22 公開日 2021-08-04 実験手法 ELECTRON MICROSCOPY (2.5 Å) 主引用文献 Structure and dynamics of semaglutide- and taspoglutide-bound GLP-1R-Gs complexes. Cell Rep, 36, 2021
6L23	Crystal structure of CK2a1 V116I with hematein 分子名称: (6aR)-3,4,6a,10-tetrakis(oxidanyl)-6,7-dihydroindeno[2,1-c]chromen-9-one, 1,2-ETHANEDIOL, Casein kinase II subunit alpha 著者 Tsuyuguchi, M, Kinoshita, T. 登録日 2019-10-02 公開日 2021-03-31 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (1.97449422 Å) 主引用文献 Structural insights for producing CK2 alpha 1-specific inhibitors. Bioorg.Med.Chem.Lett., 30, 2020
8UKM	T33-ml30 - Designed Tetrahedral Protein Cage Using Machine Learning Algorithms 分子名称: T33-ml30-redesigned-4-OT-fold, T33-ml30-redesigned-tandem-BMC-T-fold 著者 Castells-Graells, R, Meador, K, Sawaya, M.R, Yeates, T.O. 登録日 2023-10-14 公開日 2024-03-06 最終更新日 2024-06-19 実験手法 ELECTRON MICROSCOPY (4.2 Å) 主引用文献 A suite of designed protein cages using machine learning and protein fragment-based protocols. Structure, 32, 2024
3JT9	Structure of neuronal nitric oxide synthase heme domain in the ferrous state complexed with N~5~-[2-(ethylsulfanyl)ethanimidoyl]-L-ornithine 分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, Nitric oxide synthase, ... 著者 Li, H, Poulos, T.L. 登録日 2009-09-11 公開日 2010-01-12 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Heme-coordinating inhibitors of neuronal nitric oxide synthase. Iron-thioether coordination is stabilized by hydrophobic contacts without increased inhibitor potency. J.Am.Chem.Soc., 132, 2010
6F90	Structure of the family GH92 alpha-mannosidase BT3130 from Bacteroides thetaiotaomicron in complex with Mannoimidazole (ManI) 分子名称: (5R,6R,7S,8R)-5-(HYDROXYMETHYL)-5,6,7,8-TETRAHYDROIMIDAZO[1,2-A]PYRIDINE-6,7,8-TRIOL, Alpha-1,2-mannosidase, putative, ... 著者 Thompson, A.J, Spears, R.J, Zhu, Y, Suits, M.D.L, Williams, S.J, Gilbert, H.J, Davies, G.J. 登録日 2017-12-13 公開日 2018-05-02 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Bacteroides thetaiotaomicron generates diverse alpha-mannosidase activities through subtle evolution of a distal substrate-binding motif. Acta Crystallogr D Struct Biol, 74, 2018
6LPK	A2AR crystallized in EROCOC17+4, LCP-SFX at 293 K 分子名称: 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, Adenosine receptor A2a,Soluble cytochrome b562,Adenosine receptor A2a, CHOLESTEROL, ... 著者 Ihara, K, Hato, M, Nakane, T, Yamashita, K, Kimura-Someya, T, Hosaka, T, Ishizuka-Katsura, Y, Tanaka, R, Tanaka, T, Sugahara, M, Hirata, K, Yamamoto, M, Nureki, O, Tono, K, Nango, E, Iwata, S, Shirouzu, M. 登録日 2020-01-10 公開日 2020-11-25 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Isoprenoid-chained lipid EROCOC 17+4 : a new matrix for membrane protein crystallization and a crystal delivery medium in serial femtosecond crystallography. Sci Rep, 10, 2020
8UN1	T33-ml23 Assembly Intermediate - Designed Tetrahedral Protein Cage Using Machine Learning Algorithms 分子名称: T33-ml23-redesigned-CutA-fold, T33-ml23-redesigned-tandem-BMC-T-fold 著者 Castells-Graells, R, Meador, K, Sawaya, M.R, Yeates, T.O. 登録日 2023-10-18 公開日 2024-03-06 最終更新日 2024-06-19 実験手法 ELECTRON MICROSCOPY (3.9 Å) 主引用文献 A suite of designed protein cages using machine learning and protein fragment-based protocols. Structure, 32, 2024
5G6M	Structure of Bacillus subtilis Nitric Oxide Synthase in complex with 7-((3-Aminomethyl)phenoxy)methyl)quinolin-2-amine 分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[[3-(aminomethyl)phenoxy]methyl]quinolin-2-amine, CHLORIDE ION, ... 著者 Holden, J.K, Poulos, T.L. 登録日 2016-06-18 公開日 2016-09-21 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.77 Å) 主引用文献 Targeting Bacterial Nitric Oxide Synthase with Aminoquinoline-Based Inhibitors. Biochemistry, 55, 2016
3JT5	Structure of neuronal nitric oxide synthase heme domain complexed with N~5~-[2-(ethylsulfanyl)ethanimidoyl]-L-ornithine 分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, Nitric oxide synthase, ... 著者 Li, H, Poulos, T.L. 登録日 2009-09-11 公開日 2010-01-12 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Heme-coordinating inhibitors of neuronal nitric oxide synthase. Iron-thioether coordination is stabilized by hydrophobic contacts without increased inhibitor potency. J.Am.Chem.Soc., 132, 2010
8A8L	Crystal structure of a staphylococcal orthologue of CYP134A1 (CYPX) in complex with a heme-coordinated fragment 分子名称: 6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole, Cytochrome P450 protein, GLYCEROL, ... 著者 Snee, M, Katariya, M, Levy, C. 登録日 2022-06-23 公開日 2023-07-05 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (1.88 Å) 主引用文献 Crystal structure of a staphylococcal orthologue of CYP134A1 (CYPX) in complex with a heme-coordinated fragment To Be Published
8UI2	T33-ml28 - Designed Tetrahedral Protein Cage Using Machine Learning Algorithms 分子名称: T33-ml28-redesigned-CutA-fold, T33-ml28-redesigned-tandem-BMC-T-fold 著者 Castells-Graells, R, Meador, K, Sawaya, M.R, Yeates, T.O. 登録日 2023-10-09 公開日 2024-03-06 最終更新日 2024-06-19 実験手法 ELECTRON MICROSCOPY (2.73 Å) 主引用文献 A suite of designed protein cages using machine learning and protein fragment-based protocols. Structure, 32, 2024
6EV6	Structure of E282Q A. niger Fdc1 with prFMN in the hydroxylated and ketimine forms 分子名称: 1-deoxy-5-O-phosphono-1-[(10aR)-2,2,3,4-tetramethyl-8,10-dioxo-1,2,8,9,10,10a-hexahydro-6H-indeno[1,7-ef]pyrimido[4,5-b][1,4]diazepin-6-yl]-D-ribitol, Ferulic acid decarboxylase 1, MANGANESE (II) ION, ... 著者 Bailey, S.S, David, L, Payne, K.A.P. 登録日 2017-11-01 公開日 2017-12-20 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.1 Å) 主引用文献 The role of conserved residues in Fdc decarboxylase in prenylated flavin mononucleotide oxidative maturation, cofactor isomerization, and catalysis. J. Biol. Chem., 293, 2018

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