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PDB: 2222 件

7BBY
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Crystal structure of aldo-keto reductase with C-terminal His tag from Agrobacterium tumefaciens
分子名称: Aryl-alcohol dehydrogenase, PHOSPHATE ION
著者Snow, A, Sharma, M, Davies, G.J.
登録日2020-12-18
公開日2022-01-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Oxidative desulfurization pathway for complete catabolism of sulfoquinovose by bacteria.
Proc.Natl.Acad.Sci.USA, 119, 2022
6I7Y
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Crystal Structure of the first bromodomain of BRD4 in complex with RT56
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, [1-[4-[2-[(4~{S})-6-(4-chlorophenyl)-8-methoxy-1-methyl-4~{H}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]ethanoylamino]phenyl]piperidin-4-yl]-trimethyl-azanium
著者Picaud, S, Traquete, R, Bernardes, G.J.L, Newman, J, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Filippakopoulos, P, Structural Genomics Consortium (SGC)
登録日2018-11-19
公開日2019-11-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Crystal Structure of the first bromodomain of BRD4 in complex with RT56
To Be Published
4QX2
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BU of 4qx2 by Molmil
Cry3A Toxin structure obtained by injecting Bacillus thuringiensis cells in an XFEL beam, collecting data by serial femtosecond crystallographic methods and processing data with the cctbx.xfel software suite
分子名称: Pesticidal crystal protein cry3Aa
著者Sawaya, M.R, Cascio, D, Gingery, M, Rodriguez, J, Goldschmidt, L, Colletier, J.-P, Messerschmidt, M, Boutet, S, Koglin, J.E, Williams, G.J, Brewster, A.S, Nass, K, Hattne, J, Botha, S, Doak, R.B, Shoeman, R.L, DePonte, D.P, Park, H.-W, Federici, B.A, Sauter, N.K, Schlichting, I, Eisenberg, D.
登録日2014-07-17
公開日2014-08-13
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Protein crystal structure obtained at 2.9 angstrom resolution from injecting bacterial cells into an X-ray free-electron laser beam.
Proc.Natl.Acad.Sci.USA, 111, 2014
2MOZ
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BU of 2moz by Molmil
Structure of the Membrane Protein MerF, a Bacterial Mercury Transporter, Improved by the Inclusion of Chemical Shift Anisotropy Constraints
分子名称: MerF
著者Tian, Y, Lu, G.J, Marassi, F.M, Opella, S.J, Membrane Protein Structures by Solution NMR (MPSbyNMR)
登録日2014-05-07
公開日2014-07-30
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structure of the membrane protein MerF, a bacterial mercury transporter, improved by the inclusion of chemical shift anisotropy constraints.
J.Biomol.Nmr, 60, 2014
6HMH
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Structure of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex with alpha-Glc-1,3-(1,2-anhydro-carba-glucosamine) and alpha-1,2-mannobiose
分子名称: (1~{S},2~{R},3~{R},4~{R},6~{S})-4-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3-diol, ACETATE ION, Glycosyl hydrolase family 71, ...
著者Sobala, L.F, Lu, D, Zhu, S, Bernardo-Seisdedos, G, Millet, O, Zhang, Y, Sollogoub, M, Jimenez-Barbero, J, Davies, G.J.
登録日2018-09-12
公開日2018-09-26
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.03 Å)
主引用文献From 1,4-Disaccharide to 1,3-Glycosyl Carbasugar: Synthesis of a Bespoke Inhibitor of Family GH99 Endo-alpha-mannosidase.
Org.Lett., 20, 2018
4QX1
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Cry3A Toxin structure obtained by Serial Femtosecond Crystallography from in vivo grown crystals isolated from Bacillus thuringiensis and data processed with the CrystFEL software suite
分子名称: Pesticidal crystal protein cry3Aa
著者Sawaya, M.R, Cascio, D, Gingery, M, Rodriguez, J, Goldschmidt, L, Colletier, J.-P, Messerschmidt, M, Boutet, S, Koglin, J.E, Williams, G.J, Brewster, A.S, Nass, K, Hattne, J, Botha, S, Doak, R.B, Shoeman, R.L, DePonte, D.P, Park, H.-W, Federici, B.A, Sauter, N.K, Schlichting, I, Eisenberg, D.
登録日2014-07-17
公開日2014-08-13
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Protein crystal structure obtained at 2.9 angstrom resolution from injecting bacterial cells into an X-ray free-electron laser beam.
Proc.Natl.Acad.Sci.USA, 111, 2014
4YRL
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BU of 4yrl by Molmil
Crystal structure of T. cruzi Histidyl-tRNA synthetase in complex with 4-(methylsulfanyl)aniline (Chem 262)
分子名称: 1,2-ETHANEDIOL, 4-(methylsulfanyl)aniline, DIMETHYL SULFOXIDE, ...
著者Koh, C.-Y, Hol, W.G.J.
登録日2015-03-15
公開日2015-08-12
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献A binding hotspot in Trypanosoma cruzi histidyl-tRNA synthetase revealed by fragment-based crystallographic cocktail screens.
Acta Crystallogr. D Biol. Crystallogr., 71, 2015
2NW4
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Crystal Structure of the Rat Androgen Receptor Ligand Binding Domain Complex with BMS-564929
分子名称: 2-CHLORO-4-[(7R,7AS)-7-HYDROXY-1,3-DIOXOTETRAHYDRO-1H-PYRROLO[1,2-C]IMIDAZOL-2(3H)-YL]-3-METHYLBENZONITRILE, Androgen receptor
著者Ostrowski, J, Kuhns, J.E, Lupisella, J.A, Manfredi, M.C, Beehler, B.C, Krystek, S.R, Bi, Y, Sun, C, Seethala, R, Golla, R, Sleph, P.G, Fura, A, An, Y, Kish, K.F, Sack, J.S, Mookhtiar, K.A, Grover, G.J, Hamann, L.G.
登録日2006-11-14
公開日2006-12-12
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Pharmacological and x-ray structural characterization of a novel selective androgen receptor modulator: potent hyperanabolic stimulation of skeletal muscle with hypostimulation of prostate in rats.
Endocrinology, 148, 2007
2NY6
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BU of 2ny6 by Molmil
HIV-1 gp120 Envelope Glycoprotein (M95W, W96C, I109C, T123C, T257S, V275C,S334A, S375W, Q428C, G431C) Complexed with CD4 and Antibody 17b
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ANTIBODY 17B, HEAVY CHAIN, ...
著者Zhou, T, Xu, L, Dey, B, Hessell, A.J, Van Ryk, D, Xiang, S.H, Yang, X, Zhang, M.Y, Zwick, M.B, Arthos, J, Burton, D.R, Dimitrov, D.S, Sodroski, J, Wyatt, R, Nabel, G.J, Kwong, P.D.
登録日2006-11-20
公開日2007-02-06
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural definition of a conserved neutralization epitope on HIV-1 gp120.
Nature, 445, 2007
2NY5
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BU of 2ny5 by Molmil
HIV-1 gp120 Envelope Glycoprotein (M95W, W96C, I109C, T257S, V275C, S334A, S375W, Q428C, A433M) Complexed with CD4 and Antibody 17b
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ANTIBODY 17B, HEAVY CHAIN, ...
著者Zhou, T, Xu, L, Dey, B, Hessell, A.J, Van Ryk, D, Xiang, S.H, Yang, X, Zhang, M.Y, Zwick, M.B, Arthos, J, Burton, D.R, Dimitrov, D.S, Sodroski, J, Wyatt, R, Nabel, G.J, Kwong, P.D.
登録日2006-11-20
公開日2007-02-06
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural definition of a conserved neutralization epitope on HIV-1 gp120.
Nature, 445, 2007
6HZY
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BU of 6hzy by Molmil
Crystal structure of a bacterial fucosidase with inhibitor FucPUG
分子名称: 1,2-ETHANEDIOL, Alpha-L-fucosidase, SULFATE ION, ...
著者Wu, L, Davies, G.J, Stubbs, K.A, Coyle, T, Debowski, A.W.
登録日2018-10-24
公開日2019-02-20
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Synthetic and Crystallographic Insight into Exploiting sp2Hybridization in the Development of alpha-l-Fucosidase Inhibitors.
Chembiochem, 20, 2019
6HA9
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BU of 6ha9 by Molmil
Structure of an endo-Xyloglucanase from Cellvibrio japonicus complexed with XXXG(2F)-beta-DNP
分子名称: Cellulase, putative, cel5D, ...
著者Offen, W.A, Davies, G.J.
登録日2018-08-07
公開日2018-10-03
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Synthesis and application of a highly branched, mechanism-based 2-deoxy-2-fluoro-oligosaccharide inhibitor of endo-xyloglucanases.
Org. Biomol. Chem., 16, 2018
2NXZ
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BU of 2nxz by Molmil
HIV-1 gp120 Envelope Glycoprotein (T257S, S334A, S375W) Complexed with CD4 and Antibody 17b
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ANTIBODY 17B, ...
著者Zhou, T, Xu, L, Dey, B, Hessell, A.J, Van Ryk, D, Xiang, S.H, Yang, X, Zhang, M.Y, Zwick, M.B, Arthos, J, Burton, D.R, Dimitrov, D.S, Sodroski, J, Wyatt, R, Nabel, G.J, Kwong, P.D.
登録日2006-11-20
公開日2007-02-06
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Structural definition of a conserved neutralization epitope on HIV-1 gp120.
Nature, 445, 2007
6BT4
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BU of 6bt4 by Molmil
Crystal structure of the SLH domain of Sap from Bacillus anthracis in complex with a pyruvylated SCWP unit
分子名称: 2-(acetylamino)-4-O-{2-(acetylamino)-4,6-O-[(1S)-1-carboxyethylidene]-2-deoxy-beta-D-mannopyranosyl}-2-deoxy-beta-D-glucopyranose, S-layer protein sap, SULFATE ION
著者Sychantha, D, Chapman, R.N, Bamford, N.C, Boons, G.J, Howell, P.L, Clarke, A.J.
登録日2017-12-05
公開日2018-03-21
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.306 Å)
主引用文献Molecular Basis for the Attachment of S-Layer Proteins to the Cell Wall of Bacillus anthracis.
Biochemistry, 57, 2018
6BQM
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BU of 6bqm by Molmil
Secreted serine protease VesC from Vibrio cholerae
分子名称: serine protease VesC
著者Park, Y.J, Korotkov, K.V, Delarosa, J.R, Turley, S, DiMaio, F, Hol, W.G.J.
登録日2017-11-28
公開日2018-11-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Suppressor Mutations in Type II Secretion Mutants of Vibrio cholerae: Inactivation of the VesC Protease.
Msphere, 5, 2020
4WSJ
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BU of 4wsj by Molmil
Crystal structure of a bacterial fucodiase in complex with 1-((1R,2R,3R,4R,5R,6R)-2,3,4-trihydroxy-5-methyl-7-azabicyclo[4.1.0]heptan-7-yl)ethan-1-one
分子名称: Alpha-L-fucosidase, N-[(1S,2R,3R,4S,5R)-3,4,5-trihydroxy-2-methylcyclohexyl]acetamide, SULFATE ION
著者Davies, G.J, Wright, D.W.
登録日2014-10-28
公開日2014-11-05
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献In vitroandin vivocomparative and competitive activity-based protein profiling of GH29 alpha-l-fucosidases.
Chem Sci, 6, 2015
7CTR
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BU of 7ctr by Molmil
Closed form of PET-degrading cutinase Cut190 with thermostability-improving mutations of S226P/R228S/Q138A/D250C-E296C/Q123H/N202H
分子名称: 1,4-DIETHYLENE DIOXIDE, Alpha/beta hydrolase family protein
著者Emori, M, Numoto, N, Senga, A, Bekker, G.J, Kamiya, N, Ito, N, Kawai, F, Oda, M.
登録日2020-08-20
公開日2021-02-03
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Structural basis of mutants of PET-degrading enzyme from Saccharomonospora viridis AHK190 with high activity and thermal stability.
Proteins, 89, 2021
4WSK
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BU of 4wsk by Molmil
Crystal structure of a bacterial fucosidase with phenyl((1R,2R,3R,4R,5R,6R)-2,3,4-trihydroxy-5-methyl-7-azabicyclo[4.1.0]heptan-7-yl)methanone
分子名称: Alpha-L-fucosidase, IMIDAZOLE, N-[(1S,2R,3R,4S,5R)-3,4,5-trihydroxy-2-methylcyclohexyl]benzamide, ...
著者Davies, G.J.
登録日2014-10-28
公開日2014-11-12
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献In vitroandin vivocomparative and competitive activity-based protein profiling of GH29 alpha-l-fucosidases.
Chem Sci, 6, 2015
6HKI
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BU of 6hki by Molmil
Crystal structure of surface entropy mutant of human O-GlcNAc hydrolase
分子名称: Protein O-GlcNAcase
著者Males, A, Davies, G.J.
登録日2018-09-06
公開日2019-01-23
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Structural studies of a surface-entropy reduction mutant of O-GlcNAcase.
Acta Crystallogr D Struct Biol, 75, 2019
6IAV
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CO-AZURIN FROM PSEUDOMONAS AERUGINOSA TREATED WITH HYDROSULFIDE
分子名称: Azurin, CALCIUM ION, COBALT (II) ION
著者Palm, G.J, Kohlhause, D.
登録日2018-11-27
公開日2019-01-30
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Azurin and HS-: towards implementation of a sensor for HS- detection.
Eur J Inorg Chem, 2019
4YRJ
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BU of 4yrj by Molmil
Crystal structure of T. cruzi Histidyl-tRNA synthetase in complex with 4-chlorobenzene-1,2-diamine (Chem 256)
分子名称: 1,2-ETHANEDIOL, 4-chlorobenzene-1,2-diamine, DIMETHYL SULFOXIDE, ...
著者Koh, C.-Y, Hol, W.G.J.
登録日2015-03-15
公開日2015-08-12
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献A binding hotspot in Trypanosoma cruzi histidyl-tRNA synthetase revealed by fragment-based crystallographic cocktail screens.
Acta Crystallogr. D Biol. Crystallogr., 71, 2015
4YRS
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BU of 4yrs by Molmil
Crystal structure of T. cruzi Histidyl-tRNA synthetase in complex with N-(quinolin-3-yl)propanamide (Chem 1698)
分子名称: HISTIDINE, Histidyl-tRNA synthetase, N-(quinolin-3-yl)propanamide
著者Koh, C.-Y, Hol, W.G.J.
登録日2015-03-15
公開日2015-08-12
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献A binding hotspot in Trypanosoma cruzi histidyl-tRNA synthetase revealed by fragment-based crystallographic cocktail screens.
Acta Crystallogr. D Biol. Crystallogr., 71, 2015
2NY0
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BU of 2ny0 by Molmil
HIV-1 gp120 Envelope Glycoprotein (M95W, W96C, T257S, V275C, S334A, S375W, A433M) Complexed with CD4 and Antibody 17b
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ANTIBODY 17B, HEAVY CHAIN, ...
著者Zhou, T, Xu, L, Dey, B, Hessell, A.J, Van Ryk, D, Xiang, S.H, Yang, X, Zhang, M.Y, Zwick, M.B, Arthos, J, Burton, D.R, Dimitrov, D.S, Sodroski, J, Wyatt, R, Nabel, G.J, Kwong, P.D.
登録日2006-11-20
公開日2007-02-06
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural definition of a conserved neutralization epitope on HIV-1 gp120.
Nature, 445, 2007
4YPF
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BU of 4ypf by Molmil
Crystal structure of T. cruzi Histidyl-tRNA synthetase in complex with quinolin-3-amine (Chem 84)
分子名称: 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, HISTIDINE, ...
著者Koh, C.-Y, Hol, W.G.J.
登録日2015-03-12
公開日2015-08-12
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献A binding hotspot in Trypanosoma cruzi histidyl-tRNA synthetase revealed by fragment-based crystallographic cocktail screens.
Acta Crystallogr. D Biol. Crystallogr., 71, 2015
4YRF
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Crystal structure of T. cruzi Histidyl-tRNA synthetase in complex with 5-bromopyridin-2(1H)-one (Chem 148)
分子名称: 1,2-ETHANEDIOL, 5-bromopyridin-2(1H)-one, DIMETHYL SULFOXIDE, ...
著者Koh, C.-Y, Hol, W.G.J.
登録日2015-03-15
公開日2015-08-19
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献A binding hotspot in Trypanosoma cruzi histidyl-tRNA synthetase revealed by fragment-based crystallographic cocktail screens.
Acta Crystallogr.,Sect.D, 71, 2015

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