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1IXM
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BU of 1ixm by Molmil
CRYSTAL STRUCTURE OF SPOOB FROM BACILLUS SUBTILIS
分子名称: PROTEIN (SPORULATION RESPONSE REGULATORY PROTEIN)
著者Varughese, K.I.
登録日1998-11-06
公開日1998-11-25
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Formation of a novel four-helix bundle and molecular recognition sites by dimerization of a response regulator phosphotransferase.
Mol.Cell, 2, 1998
3MPT
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BU of 3mpt by Molmil
Crystal structure of P38 kinase in complex with a pyrrole-2-carboxamide inhibitor
分子名称: GLYCEROL, Mitogen-activated protein kinase 14, N-(furan-2-ylmethyl)-4-[(2-methylphenyl)carbonyl]-1H-pyrrole-2-carboxamide
著者Somers, D.O.
登録日2010-04-27
公開日2010-07-07
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献The discovery and initial optimisation of pyrrole-2-carboxamides as inhibitors of p38alpha MAP kinase.
Bioorg.Med.Chem.Lett., 20, 2010
3M9M
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BU of 3m9m by Molmil
Crystal Structure of Dpo4 in complex with DNA containing the major cisplatin lesion
分子名称: CALCIUM ION, CYTIDINE-5'-TRIPHOSPHATE, Cisplatin, ...
著者Wong, J.H.Y, Ling, H.
登録日2010-03-22
公開日2010-06-16
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural insight into dynamic bypass of the major cisplatin-DNA adduct by Y-family polymerase Dpo4.
Embo J., 29, 2010
3M4V
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BU of 3m4v by Molmil
Crystal structure of the A330P mutant of cytochrome P450 BM3
分子名称: Bifunctional P-450/NADPH-P450 reductase, PROTOPORPHYRIN IX CONTAINING FE
著者Yang, W, Whitehouse, C.J.C, Bell, S.G, Bartlam, M, Wong, L.L, Rao, Z.
登録日2010-03-12
公開日2011-03-23
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural basis for the properties of two single-site proline mutants of CYP102A1 (P450BM3)
Chembiochem, 11, 2010
3Q7A
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BU of 3q7a by Molmil
Cryptococcus neoformans protein farnesyltransferase in complex with FPP and L-778,123
分子名称: (2R)-3-(cyclohexylamino)-2-hydroxypropane-1-sulfonic acid, 4-[(5-{[4-(3-CHLOROPHENYL)-3-OXOPIPERAZIN-1-YL]METHYL}-1H-IMIDAZOL-1-YL)METHYL]BENZONITRILE, FARNESYL DIPHOSPHATE, ...
著者Hast, M.A, Beese, L.S.
登録日2011-01-04
公開日2011-08-03
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structures of Cryptococcus neoformans Protein Farnesyltransferase Reveal Strategies for Developing Inhibitors That Target Fungal Pathogens.
J.Biol.Chem., 286, 2011
1SE6
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BU of 1se6 by Molmil
Crystal Structure of Streptomyces Coelicolor A3(2) CYP158A2 from antibiotic biosynthetic pathways
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, PROTOPORPHYRIN IX CONTAINING FE, SPERMINE (FULLY PROTONATED FORM), ...
著者Zhao, B, Lamb, D.C, Lei, L, Sundaramoorthy, M, Podust, L.M, Waterman, M.R.
登録日2004-02-16
公開日2005-01-25
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Binding of Two Flaviolin Substrate Molecules, Oxidative Coupling, and Crystal Structure of Streptomyces coelicolor A3(2) Cytochrome P450 158A2.
J.Biol.Chem., 280, 2005
3Q78
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Cryptococcus neoformans protein farnesyltransferase in complex with FSPP and DDPTASACNIQ peptide
分子名称: (2S)-3-(cyclohexylamino)-2-hydroxypropane-1-sulfonic acid, Farnesyltransferase alpha subunit, Farnesyltransferase beta subunit, ...
著者Hast, M.A, Beese, L.S.
登録日2011-01-04
公開日2011-08-03
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structures of Cryptococcus neoformans Protein Farnesyltransferase Reveal Strategies for Developing Inhibitors That Target Fungal Pathogens.
J.Biol.Chem., 286, 2011
3Q92
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X-ray Structure of ketohexokinase in complex with a pyrimidopyrimidine analog 1
分子名称: Ketohexokinase, N~8~-(cyclopropylmethyl)-N~4~-[2-(methylsulfanyl)phenyl]-2-(piperazin-1-yl)pyrimido[5,4-d]pyrimidine-4,8-diamine, SULFATE ION
著者Abad, M.C.
登録日2011-01-07
公開日2012-01-18
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Inhibitors of Ketohexokinase: Discovery of Pyrimidinopyrimidines with Specific Substitution that Complements the ATP-Binding Site.
ACS Med Chem Lett, 2, 2011
1SQ6
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Plasmodium falciparum homolog of Uridine phosphorylase/Purine nucleoside phosphorylase
分子名称: SULFATE ION, uridine phosphorylase, putative
著者Robien, M.A, Hol, W.G.J, Structural Genomics of Pathogenic Protozoa Consortium (SGPP)
登録日2004-03-17
公開日2004-04-06
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structures of Plasmodium falciparum purine nucleoside phosphorylase complexed with sulfate and its natural substrate inosine.
Acta Crystallogr.,Sect.D, 61, 2005
3QNQ
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BU of 3qnq by Molmil
Crystal structure of the transporter ChbC, the IIC component from the N,N'-diacetylchitobiose-specific phosphotransferase system
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CITRIC ACID, PTS system, ...
著者Cao, Y, Jin, X, Huang, H, Levin, E.J, Zhou, M, New York Consortium on Membrane Protein Structure (NYCOMPS)
登録日2011-02-08
公開日2011-04-06
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (3.295 Å)
主引用文献Crystal structure of a phosphorylation-coupled saccharide transporter.
Nature, 473, 2011
3QKD
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BU of 3qkd by Molmil
Crystal structure of Bcl-xL in complex with a Quinazoline sulfonamide inhibitor
分子名称: (R)-N-(7-(4-((4'-chlorobiphenyl-2-yl)methyl)piperazin-1-yl)quinazolin-4-yl)-4-(4-(dimethylamino)-1-(phenylthio)butan-2-ylamino)-3-nitrobenzenesulfonamide, Bcl-2-like protein 1, CHLORIDE ION, ...
著者Czabotar, P.E, Smith, B.J.
登録日2011-01-31
公開日2011-04-06
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Quinazoline sulfonamides as dual binders of the proteins B-cell lymphoma 2 and B-cell lymphoma extra long with potent proapoptotic cell-based activity.
J.Med.Chem., 54, 2011
3Q73
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BU of 3q73 by Molmil
Cryptococcus neoformans protein farnesyltransferase, apo enzyme
分子名称: (2S)-3-(cyclohexylamino)-2-hydroxypropane-1-sulfonic acid, Farnesyltransferase, alpha subunit, ...
著者Hast, M.A, Beese, L.S.
登録日2011-01-04
公開日2011-08-03
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structures of Cryptococcus neoformans Protein Farnesyltransferase Reveal Strategies for Developing Inhibitors That Target Fungal Pathogens.
J.Biol.Chem., 286, 2011
3QPY
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BU of 3qpy by Molmil
Crystal structure of a mutant (K57A) of 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.
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 (1.95 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
3QQ0
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BU of 3qq0 by Molmil
Crystal structure of a deletion mutant (N59) of 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.
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 (1.9 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
6SZT
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BU of 6szt by Molmil
Crystal structure of YTHDC1 with fragment 10 (DHU_DC1_076)
分子名称: 6-[[methyl(thiophen-3-ylmethyl)amino]methyl]-5~{H}-pyrimidine-2,4-dione, SULFATE ION, YTHDC1
著者Bedi, R.K, Huang, D, Sledz, P, Caflisch, A.
登録日2019-10-02
公開日2020-03-04
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Selectively Disrupting m6A-Dependent Protein-RNA Interactions with Fragments.
Acs Chem.Biol., 15, 2020
6T02
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BU of 6t02 by Molmil
Crystal structure of YTHDC1 with fragment 15 (DHU_DC1_169)
分子名称: (~{S})-phenyl-[(2~{S})-pyrrolidin-2-yl]methanol, SULFATE ION, YTHDC1
著者Bedi, R.K, Huang, D, Sledz, P, Caflisch, A.
登録日2019-10-02
公開日2020-03-04
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Selectively Disrupting m6A-Dependent Protein-RNA Interactions with Fragments.
Acs Chem.Biol., 15, 2020
5A7C
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BU of 5a7c by Molmil
Crystal structure of the second bromodomain of human BRD3 in complex with compound
分子名称: 1,2-ETHANEDIOL, BROMODOMAIN-CONTAINING PROTEIN 3, N-(6-ACETAMIDOHEXYL)ACETAMIDE
著者Welin, M, Kimbung, R, Diehl, C, Hakansson, M, Logan, D.T, Walse, B.
登録日2015-07-03
公開日2016-03-16
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Cancer Differentiating Agent Hexamethylene Bisacetamide Inhibits Bet Bromodomain Proteins.
Cancer Res., 76, 2016
6SZ8
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Crystal structure of YTHDC1 with fragment 6 (DHU_DC1_034)
分子名称: 6-pyrrolidin-1-yl-5~{H}-pyrimidine-2,4-dione, SULFATE ION, YTH domain-containing protein 1
著者Bedi, R.K, Huang, D, Sledz, P, Caflisch, A.
登録日2019-10-02
公開日2020-03-04
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Selectively Disrupting m6A-Dependent Protein-RNA Interactions with Fragments.
Acs Chem.Biol., 15, 2020
6SZN
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Crystal structure of YTHDC1 with fragment 8 (DHU_DC1_006)
分子名称: N-carbamoylbenzamide, SULFATE ION, YTH domain-containing protein 1
著者Bedi, R.K, Huang, D, Sledz, P, Caflisch, A.
登録日2019-10-02
公開日2020-03-04
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Selectively Disrupting m6A-Dependent Protein-RNA Interactions with Fragments.
Acs Chem.Biol., 15, 2020
6T07
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Crystal structure of YTHDC1 with fragment 20 (DHU_DC1_134)
分子名称: SULFATE ION, YTH domain-containing protein 1, ~{N}-[(2~{S})-pyrrolidin-2-yl]-1~{H}-1,2,4-triazol-5-amine
著者Bedi, R.K, Huang, D, Sledz, P, Caflisch, A.
登録日2019-10-02
公開日2020-03-04
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Selectively Disrupting m6A-Dependent Protein-RNA Interactions with Fragments.
Acs Chem.Biol., 15, 2020
6T0X
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Crystal structure of YTHDC1 with fragment 22 (ACA_DC1_001)
分子名称: (3~{S})-~{N}-methylpyrrolidine-3-carboxamide, SULFATE ION, YTHDC1
著者Bedi, R.K, Huang, D, Sledz, P, Caflisch, A.
登録日2019-10-03
公開日2020-03-04
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献Selectively Disrupting m6A-Dependent Protein-RNA Interactions with Fragments.
Acs Chem.Biol., 15, 2020
5AA8
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Structure of C1156Y,L1198F Mutant Human Anaplastic Lymphoma Kinase in Complex with PF-06463922 ((10R)-7-amino-12-fluoro-2,10,16-trimethyl- 15-oxo-10,15,16,17-tetrahydro-2H-8,4-(metheno)pyrazolo(4,3-h)(2,5,11) benzoxadiazacyclotetradecine-3-carbonitrile).
分子名称: (10R)-7-amino-12-fluoro-2,10,16-trimethyl-15-oxo-10,15,16,17-tetrahydro-2H-8,4-(metheno)pyrazolo[4,3-h][2,5,11]benzoxadiazacyclotetradecine-3-carbonitrile, ALK TYROSINE KINASE RECEPTOR
著者McTigue, M, Deng, Y.-L, Liu, W, Brooun, A, Stewart, A.
登録日2015-07-23
公開日2016-06-08
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Resensitization to Crizotinib by the Lorlatinib Alk Resistance Mutation L1198F.
N.Engl.J.Med., 374, 2016
6T11
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Crystal structure of YTHDC1 with fragment 29 (DHU_DC1_218)
分子名称: N-methyl-1H-indole-7-carboxamide, SULFATE ION, YTHDC1
著者Bedi, R.K, Huang, D, Sledz, P, Caflisch, A.
登録日2019-10-03
公開日2020-03-04
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Selectively Disrupting m6A-Dependent Protein-RNA Interactions with Fragments.
Acs Chem.Biol., 15, 2020
6T1B
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Crystal structure of YlmD from Geobacillus stearothermophilus in complex with inosine
分子名称: INOSINE, YlmD, ZINC ION
著者Reikine, S, Modis, Y.
登録日2019-10-03
公開日2020-01-29
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献FAMIN Is a Multifunctional Purine Enzyme Enabling the Purine Nucleotide Cycle.
Cell, 180, 2020
6T10
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Crystal structure of YTHDC1 with fragment 28 (DHU_DC1_176)
分子名称: 5-iodanyl-~{N}-methyl-1~{H}-indazole-3-carboxamide, SULFATE ION, YTHDC1
著者Bedi, R.K, Huang, D, Sledz, P, Caflisch, A.
登録日2019-10-03
公開日2020-03-04
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Selectively Disrupting m6A-Dependent Protein-RNA Interactions with Fragments.
Acs Chem.Biol., 15, 2020

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