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2R0Y
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BU of 2r0y by Molmil
Structure of the Rsc4 tandem bromodomain in complex with an acetylated H3 peptide
分子名称: Chromatin structure-remodeling complex protein RSC4, Histone H3 peptide
著者VanDemark, A.P, Kasten, M.M, Ferris, E, Heroux, A, Hill, C.P, Cairns, B.R.
登録日2007-08-21
公開日2007-10-30
最終更新日2017-10-25
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Autoregulation of the rsc4 tandem bromodomain by gcn5 acetylation.
Mol.Cell, 27, 2007
3GBX
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BU of 3gbx by Molmil
Serine hydroxymethyltransferase from Salmonella typhimurium
分子名称: ACETATE ION, Serine hydroxymethyltransferase
著者Osipiuk, J, Nocek, B, Zhou, M, Stam, J, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2009-02-20
公開日2009-03-10
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献X-ray crystal structure of serine hydroxymethyltransferase from Salmonella typhimurium.
To be Published
3Q7Z
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BU of 3q7z by Molmil
CBAP-acylated BlaR1 sensor domain from Staphylococcus aureus
分子名称: (2R,4S)-2-[(1R)-1-{[(2'-carboxybiphenyl-2-yl)carbonyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, Beta-lactamase regulatory protein BlaR1
著者Borbulevych, O.Y, Mobashery, S, Baker, B.M.
登録日2011-01-05
公開日2011-07-06
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Lysine Nzeta-decarboxylation switch and activation of the beta-lactam sensor domain of BlaR1 protein of methicillin-resistant Staphylococcus aureus.
J.Biol.Chem., 286, 2011
3QPZ
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BU of 3qpz by Molmil
Crystal structure of the N59A mutant of the 3-deoxy-d-manno-octulosonate 8-phosphate synthase (KDO8PS) from Neisseria meningitidis
分子名称: 2-dehydro-3-deoxyphosphooctonate aldolase, CHLORIDE ION, GLYCEROL, ...
著者Allison, T.M, Jameson, G.B, Parker, E.J, Cochrane, F.C.
登録日2011-02-14
公開日2011-04-13
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Targeting the role of a key conserved motif for substrate selection and catalysis by 3-deoxy-D-manno-octulosonate 8-phosphate synthase
Biochemistry, 50, 2011
3Q96
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BU of 3q96 by Molmil
B-Raf kinase domain in complex with a tetrahydronaphthalene inhibitor
分子名称: (2S)-N-[3-(2-aminopropan-2-yl)-5-(trifluoromethyl)phenyl]-7-[(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-4-yl)oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide, Serine/threonine-protein kinase B-raf
著者Sintchak, M.D, Aertgeerts, K, Yano, J.
登録日2011-01-07
公開日2011-03-23
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Design and optimization of potent and orally bioavailable tetrahydronaphthalene raf inhibitors.
J.Med.Chem., 54, 2011
3Q9H
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BU of 3q9h by Molmil
LVFFA segment from Alzheimer's Amyloid-Beta displayed on 42-membered macrocycle scaffold
分子名称: 1,4-BUTANEDIOL, Cyclic pseudo-peptide LVFFA(ORN)(HAO)LK(ORN), GLYCEROL, ...
著者Liu, C, Sawaya, M.R, Eisenberg, D, Nowick, J.S, Cheng, P, Zheng, J.
登録日2011-01-07
公開日2011-06-08
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Characteristics of Amyloid-Related Oligomers Revealed by Crystal Structures of Macrocyclic beta-Sheet Mimics.
J.Am.Chem.Soc., 133, 2011
3Q9X
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BU of 3q9x by Molmil
Crystal structure of human CK2 alpha in complex with emodin at pH 6.5
分子名称: 1,2-ETHANEDIOL, 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE, ...
著者Battistutta, R, Ranchio, A, Papinutto, E.
登録日2011-01-10
公開日2012-01-11
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural and functional analysis of the flexible regions of the catalytic alpha-subunit of protein kinase CK2
To be Published
3WYC
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BU of 3wyc by Molmil
Structure of a meso-diaminopimelate dehydrogenase in complex with NADP
分子名称: 2-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-ETHANESULFONIC ACID, Meso-diaminopimelate D-dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Sakuraba, H, Akita, H, Ohshima, T.
登録日2014-08-25
公開日2015-05-06
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Structural insight into the thermostable NADP(+)-dependent meso-diaminopimelate dehydrogenase from Ureibacillus thermosphaericus
Acta Crystallogr.,Sect.D, 71, 2015
3GDE
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BU of 3gde by Molmil
The closed conformation of ATP-dependent DNA ligase from Archaeoglobus fulgidus
分子名称: DNA ligase, PHOSPHATE ION
著者Kim, D.J, Kim, H.-W, Kim, O, Kim, H.S, Lee, S.J, Suh, S.W.
登録日2009-02-24
公開日2009-12-15
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献ATP-dependent DNA ligase from Archaeoglobus fulgidus displays a tightly closed conformation
Acta Crystallogr.,Sect.F, 65, 2009
3WYL
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BU of 3wyl by Molmil
Crystal structure of the catalytic domain of PDE10A complexed with 5-methoxy-3-(1-phenyl-1H-pyrazol-5-yl)-1-(3-(trifluoromethyl)phenyl)pyridazin-4(1H)-one
分子名称: 5-methoxy-3-(1-phenyl-1H-pyrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]pyridazin-4(1H)-one, MAGNESIUM ION, ZINC ION, ...
著者Oki, H, Hayano, Y.
登録日2014-09-01
公開日2014-11-19
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.68 Å)
主引用文献Discovery of 1-[2-fluoro-4-(1H-pyrazol-1-yl)phenyl]-5-methoxy-3-(1-phenyl-1H-pyrazol-5-yl)pyridazin-4(1H)-one (TAK-063), a highly potent, selective, and orally active phosphodiesterase 10A (PDE10A) inhibitor.
J.Med.Chem., 57, 2014
3Q5R
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BU of 3q5r by Molmil
Crystal structure of BmrR bound to Kanamycin
分子名称: 23 bp promoter DNA, KANAMYCIN A, Multidrug-efflux transporter 1 regulator
著者Bachas, S, Eginton, C, Gunio, G, Wade, H.
登録日2010-12-29
公開日2011-07-20
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (3.05 Å)
主引用文献Structural contributions to multidrug recognition in the multidrug resistance (MDR) gene regulator, BmrR.
Proc.Natl.Acad.Sci.USA, 108, 2011
2QCB
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BU of 2qcb by Molmil
T7-tagged full-length streptavidin complexed with ruthenium ligand
分子名称: N-(4-{[(2-AMINOETHYL)AMINO]SULFONYL}PHENYL)-5-[(3AS,4S,6AR)-2-OXOHEXAHYDRO-1H-THIENO[3,4-D]IMIDAZOL-4-YL]PENTANAMIDE-(1,2,3,4,5,6-ETA)-BENZENE-CHLORO-RUTHENIUM(III), Streptavidin
著者Le Trong, I, Creus, M, Pordea, A, Ward, T.R, Stenkamp, R.E.
登録日2007-06-19
公開日2008-04-29
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献X-ray structure and designed evolution of an artificial transfer hydrogenase
Angew.Chem.Int.Ed.Engl., 47, 2008
3GEM
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BU of 3gem by Molmil
Crystal structure of short-chain dehydrogenase from Pseudomonas syringae
分子名称: ACETATE ION, Short chain dehydrogenase
著者Osipiuk, J, Xu, X, Cui, H, Nocek, B, Savchenko, A, Edwards, A.M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2009-02-25
公開日2009-03-10
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献X-ray crystal structure of short-chain dehydrogenase from Pseudomonas syringae.
To be Published
3Q65
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BU of 3q65 by Molmil
Human Aldose Reductase in Complex with NADP+ in Space Group P212121
分子名称: Aldose reductase, GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Sawaya, M.R, Cascio, D, Balendiran, G.K.
登録日2010-12-30
公開日2011-01-19
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献The role of Cys-298 in aldose reductase function.
J.Biol.Chem., 286, 2011
3X3Z
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BU of 3x3z by Molmil
Copper amine oxidase from Arthrobacter globiformis: Aminoresorcinol form produced by anaerobic reduction with ethylamine hydrochloride
分子名称: CHLORIDE ION, COPPER (II) ION, GLYCEROL, ...
著者Okajima, T, Nakanishi, S, Murakawa, T, Kataoka, M, Hayashi, H, Hamaguchi, A, Nakai, T, Kawano, Y, Yamaguchi, H, Tanizawa, K.
登録日2015-03-10
公開日2015-08-19
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献Probing the Catalytic Mechanism of Copper Amine Oxidase from Arthrobacter globiformis with Halide Ions.
J.Biol.Chem., 290, 2015
3GFC
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BU of 3gfc by Molmil
Crystal Structure of Histone-binding protein RBBP4
分子名称: Histone-binding protein RBBP4
著者Amaya, M.F, Dong, A, Li, Z, He, H, Ni, S, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Bountra, C, Bochkarev, A, Min, J, Ouyang, H, Structural Genomics Consortium (SGC)
登録日2009-02-26
公開日2009-04-14
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure and function of WD40 domain proteins.
Protein Cell, 2, 2011
3GHB
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BU of 3ghb by Molmil
Crystal structure of anti-HIV-1 Fab 447-52D in complex with V3 peptide W2RW020
分子名称: Envelope glycoprotein, Fab 447-52D, heavy chain, ...
著者Kong, X.P, Burke, V.J.
登録日2009-03-03
公開日2009-12-01
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structural basis of the cross-reactivity of genetically related human anti-HIV-1 mAbs: implications for design of V3-based immunogens
Structure, 17, 2009
2QF5
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BU of 2qf5 by Molmil
High resolution structure of the major periplasmic domain from the cell shape-determining filament MreC (monoclinic form)
分子名称: Cell shape determining protein MreC
著者Lovering, A.L, Strynadka, N.C.J.
登録日2007-06-26
公開日2007-08-07
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献High-resolution Structure of the Major Periplasmic Domain from the Cell Shape-determining Filament MreC.
J.Mol.Biol., 372, 2007
2QF9
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Crystal structure of putative secreted protein DUF305 from Streptomyces coelicolor
分子名称: 1,2-ETHANEDIOL, Putative secreted protein
著者Ramagopal, U.A, Rutter, M, Adams, J, Toro, R, Groshong, C, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2007-06-27
公開日2007-07-17
最終更新日2021-02-03
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Structure of putative secreted protein DUF305 from Streptomyces coelicolor.
To be Published
2QAJ
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Crystal structure of a thermostable mutant of Bacillus subtilis Adenylate Kinase (Q199R/G213E)
分子名称: Adenylate kinase, BIS(ADENOSINE)-5'-PENTAPHOSPHATE, MAGNESIUM ION, ...
著者Counago, R, Wilson, C.J, Myers, J, Wu, G, Shamoo, Y.
登録日2007-06-15
公開日2008-04-29
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of a thermostable mutant of Bacillus subtilis Adenylate Kinase (Q199R/G213E)
To be Published
2QP3
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Identification and Characterization of Two Amino Acids Critical for the Substrate Inhibition of SULT2A1
分子名称: (3Beta,5alpha)-3-Hydroxyandrostan-17-one, Bile salt sulfotransferase
著者Hsieh, Y.C.
登録日2007-07-23
公開日2008-07-29
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Identification and characterization of two amino acids critical for the substrate inhibition of human dehydroepiandrosterone sulfotransferase (SULT2A1)
Mol.Pharmacol., 73, 2008
3GHJ
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BU of 3ghj by Molmil
Crystal structure from the mobile metagenome of Halifax Harbour Sewage Outfall: Integron Cassette Protein HFX_CASS4
分子名称: Putative integron gene cassette protein
著者Sureshan, V, Deshpande, C, Harrop, S.J, Kudritska, M, Koenig, J.E, Evdokimova, E, Kim, Y, Edwards, A.M, Savchenko, A, Joachimiak, A, Doolittle, W.F, Stokes, H.W, Curmi, P.M.G, Mabbutt, B.C, Midwest Center for Structural Genomics (MCSG)
登録日2009-03-03
公開日2009-03-24
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (1.471 Å)
主引用文献Structure from the mobile metagenome of Halifax Harbour Sewage Outfall: Integron Cassette Protein HFX_CASS4
To be Published
3GI4
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Crystal structure of protease inhibitor, KB60 in complex with wild type HIV-1 protease
分子名称: 5S)-N-[(1S,2R)-3-[(1,3-Benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]-2-oxo-3-[3-(tr ifluoromethyl)phenyl]-5-oxazolidinecarboxamide, ACETATE ION, PHOSPHATE ION, ...
著者Nalam, M.N.L, Schiffer, C.A.
登録日2009-03-05
公開日2010-03-09
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Evaluating the substrate-envelope hypothesis: structural analysis of novel HIV-1 protease inhibitors designed to be robust against drug resistance.
J.Virol., 84, 2010
2QH6
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Crystal Structure of the Estrogen Receptor Alpha Ligand Binding Domain Complexed with an Oxabicyclic diarylethylene Compound
分子名称: DIETHYL (1R,2S,3R,4S)-5,6-BIS(4-HYDROXYPHENYL)-7-OXABICYCLO[2.2.1]HEPT-5-ENE-2,3-DICARBOXYLATE, Estrogen receptor, Nuclear receptor coactivator 2
著者Nettles, K.W, Bruning, J.B, Nowak, J, Sharma, S.K, Hahm, J.B, Shi, Y, Kulp, K, Hochberg, R.B, Zhou, H, Katzenellenbogen, J.A, Katzenellenbogen, B.S, Kim, Y, Joachmiak, A, Greene, G.L.
登録日2007-06-29
公開日2008-03-18
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献NFkappaB selectivity of estrogen receptor ligands revealed by comparative crystallographic analyses
Nat.Chem.Biol., 4, 2008
3QAQ
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Crystal structure of PI3K-gamma in complex with triazine-benzimidazole 1
分子名称: Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION, [(4-{2-[(3-hydroxyphenyl)amino]-1H-benzimidazol-1-yl}-1,3,5-triazin-2-yl)amino]acetonitrile
著者Whittington, D.A, Tang, J, Yakowec, P.
登録日2011-01-11
公開日2011-03-30
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Discovery of triazine-benzimidazoles as selective inhibitors of mTOR.
Bioorg.Med.Chem.Lett., 21, 2011

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