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2WJ9
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ArdB
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, BETA-MERCAPTOETHANOL, CHLORIDE ION, ...
著者Weikart, N.D, Roberts, G, Johnson, K.A, Oke, M, Cooper, L.P, McMahon, S.A, White, J.H, Liu, H, Carter, L.G, Walkinshaw, M.D, Blakely, G.W, Naismith, J.H, Dryden, D.T.F.
登録日2009-05-25
公開日2010-08-18
最終更新日2018-05-02
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献The Scottish Structural Proteomics Facility: Targets, Methods and Outputs.
J.Struct.Funct.Genomics, 11, 2010
2X48
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ORF 55 from Sulfolobus islandicus rudivirus 1
分子名称: CAG38821, PHOSPHATE ION
著者Oke, M, Carter, L, Johnson, K.A, Liu, H, Mcmahon, S, Naismith, J.H, White, M.F.
登録日2010-01-28
公開日2010-07-21
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献The Scottish Structural Proteomics Facility: Targets, Methods and Outputs.
J.Struct.Funct.Genomics, 11, 2010
2X3N
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BU of 2x3n by Molmil
Crystal structure of pqsL, a probable FAD-dependent monooxygenase from Pseudomonas aeruginosa
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, PROBABLE FAD-DEPENDENT MONOOXYGENASE
著者Oke, M, Carter, L.G, Johnson, K.A, Liu, H, Mcmahon, S.A, White, M.F, Naismith, J.H.
登録日2010-01-25
公開日2010-07-21
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献The Scottish Structural Proteomics Facility: Targets, Methods and Outputs.
J.Struct.Funct.Genomics, 11, 2010
2X4H
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Crystal Structure of the hypothetical protein SSo2273 from Sulfolobus solfataricus
分子名称: HYPOTHETICAL PROTEIN SSO2273, ZINC ION
著者Oke, M, Carter, L.G, Johnson, K.A, Liu, H, Mcmahon, S.A, White, M.F, Naismith, J.H.
登録日2010-01-31
公開日2010-07-21
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The Scottish Structural Proteomics Facility: Targets, Methods and Outputs.
J.Struct.Funct.Genomics, 11, 2010
4C2Z
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Human N-myristoyltransferase (NMT1) with Myristoyl-CoA and inhibitor bound
分子名称: 2,6-dichloro-4-(2-piperazin-1-ylpyridin-4-yl)-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzenesulfonamide, CHLORIDE ION, CITRIC ACID, ...
著者Thinon, E, Serwa, R.A, Brannigan, J.A, Brassat, U, Wright, M.H, Heal, W.P, Wilkinson, A.J, Mann, D.J, Tate, E.W.
登録日2013-08-20
公開日2014-10-01
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Chemical Proteomics Defines the Mammalian N- Myristoylated Proteome in Live Cells Global Profiling of Co- and Post-Translationally N-Myristoylated Proteomes in Human Cells.
Nat.Commun., 5, 2014
4CAX
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Crystal structure of Aspergillus fumigatus N-myristoyl transferase in complex with myristoyl CoA and a pyrazole sulphonamide ligand (DDD85646)
分子名称: 2,6-dichloro-4-(2-piperazin-1-ylpyridin-4-yl)-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzenesulfonamide, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, TETRADECANOYL-COA
著者Raimi, O.G, Robinson, D.A, Fang, W, Blair, D.E, Harrison, J, Ruda, G.F, Lockhart, D.E.A, Torrie, L.S, Wyatt, P.G, Gilbert, I.H, Van Aalten, D.M.F.
登録日2013-10-09
公開日2014-09-17
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献N-Myristoyltransferase is a Cell Wall Target in Aspergillus Fumigatus.
Acs Chem.Biol., 10, 2015
4CFX
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Structure-based design of C8-substituted O6-cyclohexylmethoxyguanine CDK1 and 2 inhibitors.
分子名称: 3-[2-amino-6-(cyclohexylmethoxy)-7H-purin-8-yl]benzenesulfonamide, CYCLIN-A2, CYCLIN-DEPENDENT KINASE 2
著者Carbain, B, Paterson, D.J, Anscombe, E, Campbell, A, Cano, C, Echalier, A, Endicott, J, Golding, B.T, Haggerty, K, Hardcastle, I.R, Jewsbury, P, Newell, D.R, Noble, M.E.M, Roche, C, Wang, L.Z, Griffin, R.
登録日2013-11-19
公開日2014-12-10
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献8-Substituted O6-Cyclohexylmethylguanine Cdk2 Inhibitors; Using Structure-Based Inhibitor Design to Optimise an Alternative Binding Mode.
J.Med.Chem., 57, 2014
4CSS
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BU of 4css by Molmil
Crystal structure of FimH in complex with a sulfonamide biphenyl alpha D-mannoside
分子名称: 4'-(alpha-D-Mannopyranosyloxy)-biphenyl-4-methyl sulfonamide, GLYCEROL, PROTEIN FIMH
著者Kleeb, S, Pang, L, Mayer, K, Sigl, A, Eris, D, Preston, R.C, Zihlmann, P, Abgottspon, D, Hutter, A, Scharenberg, M, Jian, X, Navarra, G, Rabbani, S, Smiesko, M, Luedin, N, Jakob, R.P, Schwardt, O, Maier, T, Sharpe, T, Ernst, B.
登録日2014-03-10
公開日2015-02-25
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.069 Å)
主引用文献Fimh Antagonists: Bioisosteres to Improve the in Vitro and in Vivo Pk/Pd Profile.
J.Med.Chem., 58, 2015
2EU9
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BU of 2eu9 by Molmil
Crystal Structure of CLK3
分子名称: 1,2-ETHANEDIOL, Dual specificity protein kinase CLK3
著者Papagrigoriou, E, Rellos, P, Das, S, Ugochukwu, E, Turnbull, A, von Delft, F, Bunkoczi, G, Sobott, F, Bullock, A, Fedorov, O, Gileadi, C, Savitsky, P, Edwards, A, Aerrowsmith, C, Weigelt, J, Sundstrom, M, Knapp, S.
登録日2005-10-28
公開日2005-11-08
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Kinase domain insertions define distinct roles of CLK kinases in SR protein phosphorylation.
Structure, 17, 2009
2F8B
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BU of 2f8b by Molmil
NMR structure of the C-terminal domain (dimer) of HPV45 oncoprotein E7
分子名称: Protein E7, ZINC ION
著者Ohlenschlager, O, Gorlach, M.
登録日2005-12-02
公開日2006-08-08
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Solution structure of the partially folded high-risk human papilloma virus 45 oncoprotein E7.
Oncogene, 25, 2006
4EJ6
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BU of 4ej6 by Molmil
Crystal structure of a putative zinc-binding dehydrogenase (Target PSI-012003) from Sinorhizobium meliloti 1021
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Putative zinc-binding dehydrogenase, ...
著者Sampathkumar, P, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
登録日2012-04-06
公開日2012-05-02
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Crystal structure of a putative zinc-binding dehydrogenase from Sinorhizobium meliloti 1021
To be Published
2R94
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Crystal Structure of KD(P)GA from T.tenax
分子名称: 2-Keto-3-deoxy-(6-phospho-)gluconate aldolase, PYRUVIC ACID
著者Pauluhn, A, Pohl, E.
登録日2007-09-12
公開日2008-03-18
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure and stereochemical studies of KD(P)G aldolase from Thermoproteus tenax.
Proteins, 72, 2008
2RFI
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BU of 2rfi by Molmil
Crystal structure of catalytic domain of human euchromatic histone methyltransferase 1 in complex with SAH and dimethylated H3K9 peptide
分子名称: Histone H3, Histone-lysine N-methyltransferase, H3 lysine-9 specific 5, ...
著者Min, J, Wu, H, Loppnau, P, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Plotnikov, A.N, Structural Genomics Consortium (SGC)
登録日2007-09-30
公開日2007-10-23
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Structural biology of human H3K9 methyltransferases
Plos One, 5, 2010
4EJM
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Crystal structure of a putative zinc-binding dehydrogenase (Target PSI-012003) from Sinorhizobium meliloti 1021 bound to NADP
分子名称: 1,2-ETHANEDIOL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Putative zinc-binding dehydrogenase, ...
著者Sampathkumar, P, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
登録日2012-04-06
公開日2012-05-02
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Crystal structure of a putative zinc-binding dehydrogenase (target nysgrc-012003) from sinorhizobium meliloti 1021 bound to NADP
To be Published
4EQW
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BU of 4eqw by Molmil
Crystal Structure of the Y361F, Y419F Mutant of Staphylococcus aureus CoADR
分子名称: CHLORIDE ION, COENZYME A, Coenzyme A disulfide reductase, ...
著者Edwards, J.S, Wallace, B.D, Wallen, J.R, Claiborne, A, Redinbo, M.R.
登録日2012-04-19
公開日2012-10-17
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Turnover-Dependent Covalent Inactivation of Staphylococcus aureus Coenzyme A-Disulfide Reductase by Coenzyme A-Mimetics: Mechanistic and Structural Insights.
Biochemistry, 51, 2012
2DOK
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BU of 2dok by Molmil
Crystal structure of the PIN domain of human EST1A
分子名称: Telomerase-binding protein EST1A
著者Takeshita, D.
登録日2006-05-01
公開日2007-05-01
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of the PIN domain of human telomerase-associated protein EST1A
Proteins, 68, 2007
2FEA
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BU of 2fea by Molmil
Crystal structure of MtnX phosphatase from Bacillus Subtilis at 2.00 A resolution
分子名称: 1,2-ETHANEDIOL, 2-hydroxy-3-keto-5-methylthiopentenyl-1-phosphate phosphatase, MAGNESIUM ION, ...
著者Joint Center for Structural Genomics (JCSG)
登録日2005-12-15
公開日2005-12-27
最終更新日2023-01-25
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of MtnX phosphatase from Bacillus subtilis at 2.0 A resolution provides a structural basis for bipartite phosphomonoester hydrolysis of 2-hydroxy-3-keto-5-methylthiopentenyl-1-phosphate.
Proteins, 69, 2007
4C57
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Structure of GAK kinase in complex with a nanobody
分子名称: (2Z,3E)-2,3'-BIINDOLE-2',3(1H,1'H)-DIONE 3-{O-[(3R)-3,4-DIHYDROXYBUTYL]OXIME}, 1,2-ETHANEDIOL, Cyclin-G-associated kinase, ...
著者Chaikuad, A, Keates, T, Krojer, T, Allerston, C.K, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Muller-Knapp, S.
登録日2013-09-10
公開日2013-10-09
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Structure of Cyclin G-Associated Kinase (Gak) Trapped in Different Conformations Using Nanobodies.
Biochem.J., 459, 2014
4C58
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Structure of GAK kinase in complex with nanobody (NbGAK_4)
分子名称: 1,2-ETHANEDIOL, 9-HYDROXY-4-PHENYLPYRROLO[3,4-C]CARBAZOLE-1,3(2H,6H)-DIONE, Cyclin-G-associated kinase, ...
著者Chaikuad, A, Keates, T, Allerston, C.K, Gileadi, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Muller-Knapp, S.
登録日2013-09-10
公開日2013-10-09
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献Structure of cyclin G-associated kinase (GAK) trapped in different conformations using nanobodies.
Biochem. J., 459, 2014
2XYX
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Novel Sulfonylthiadiazoles with an Unusual Binding Mode as Partial Dual Peroxisome Proliferator-Activated Receptor (PPAR) gamma-delta Agonists with High Potency and In-vivo Efficacy
分子名称: 4-[2-[[3-CHLORO-5-(TRIFLUOROMETHYL)PYRIDIN-2-YL]AMINO]ETHYL]-N-(5-PROPAN-2-YL-1,3,4-THIADIAZOL-2-YL)BENZENESULFONAMIDE, PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR DELTA, octyl beta-D-glucopyranoside
著者Marquette, J.-P, Mathieu, M.
登録日2010-11-19
公開日2011-02-23
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Sulfonylthiadiazoles with an Unusual Binding Mode as Partial Dual Peroxisome Proliferator-Activated Receptor (Ppar) Gamma / Delta Agonists with High Potency and in-Vivo Efficacy
Chemmedchem, 6, 2011
4EM4
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Crystal Structure of Staphylococcus aureus bound with the covalent inhibitor Pethyl-VS-CoA
分子名称: CHLORIDE ION, Coenzyme A disulfide reductase, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Wallace, B.D, Edwards, J.S, Claiborne, A, Redinbo, M.R.
登録日2012-04-11
公開日2012-10-17
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (1.821 Å)
主引用文献Turnover-Dependent Covalent Inactivation of Staphylococcus aureus Coenzyme A-Disulfide Reductase by Coenzyme A-Mimetics: Mechanistic and Structural Insights.
Biochemistry, 51, 2012
4EM3
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Crystal Structure of Staphylococcus aureus bound with the covalent inhibitor MeVS-CoA
分子名称: CHLORIDE ION, Coenzyme A disulfide reductase, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Wallace, B.D, Edwards, J.S, Claiborne, A, Redinbo, M.R.
登録日2012-04-11
公開日2012-10-17
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (1.977 Å)
主引用文献Turnover-Dependent Covalent Inactivation of Staphylococcus aureus Coenzyme A-Disulfide Reductase by Coenzyme A-Mimetics: Mechanistic and Structural Insights.
Biochemistry, 51, 2012
4EQS
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BU of 4eqs by Molmil
Crystal structure of the Y419F mutant of Staphylococcus aureus CoADR
分子名称: CHLORIDE ION, COENZYME A, Coenzyme A disulfide reductase, ...
著者Wallace, B.D, Edwards, J.S, Wallen, J.R, Claiborne, A, Redinbo, M.R.
登録日2012-04-19
公開日2012-10-17
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Turnover-Dependent Covalent Inactivation of Staphylococcus aureus Coenzyme A-Disulfide Reductase by Coenzyme A-Mimetics: Mechanistic and Structural Insights.
Biochemistry, 51, 2012
2FDD
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BU of 2fdd by Molmil
Crystal structure of HIV protease D545701 bound with GW0385
分子名称: (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL [(1S,2R)-3-[(1,3-BENZODIOXOL-5-YLSULFONYL)(ISOBUTYL)AMINO]-2-HYDROXY-1-{4-[(2-METHYL-1,3-THIAZOL-4-YL)METHOXY]BENZYL}PROPYL]CARBAMATE, Gag-Pol polyprotein
著者Xu, R.X.
登録日2005-12-13
公開日2006-02-21
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Ultra-potent P1 modified arylsulfonamide HIV protease inhibitors: The discovery of GW0385.
Bioorg.Med.Chem.Lett., 16, 2006
4F3I
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Crystal structure of the first bromodomain of human BRD4 in complex with MS417 inhibitor
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, methyl [(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetate
著者Joshua, J, Zhou, M.-M, Plotnikov, A.N.
登録日2012-05-09
公開日2012-09-12
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Down-regulation of NF-{kappa}B Transcriptional Activity in HIV-associated Kidney Disease by BRD4 Inhibition.
J.Biol.Chem., 287, 2012

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