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1S9G
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CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE (RT) IN COMPLEX WITH JANSSEN-R120394.
分子名称: 4-[4-AMINO-6-(5-CHLORO-1H-INDOL-4-YLMETHYL)-[1,3,5]TRIAZIN-2-YLAMINO]-BENZONITRILE, POL polyprotein [Contains: Reverse transcriptase]
著者Das, K, Clark Jr, A.D, Ludovici, D.W, Kukla, M.J, Decorte, B, Lewi, P.J, Hughes, S.H, Janssen, P.A, Arnold, E.
登録日2004-02-04
公開日2004-05-11
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Roles of Conformational and Positional Adaptability in Structure-Based Design of TMC125-R165335 (Etravirine) and Related Non-nucleoside Reverse Transcriptase Inhibitors That Are Highly Potent and Effective against Wild-Type and Drug-Resistant HIV-1 Variants.
J.Med.Chem., 47, 2004
5T1V
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Crystal structure of Zika virus NS2B-NS3 protease in apo-form.
分子名称: NS2B-NS3 protease,NS2B-NS3 protease
著者Nocadello, S, Light, S.H, Minasov, G, Shuvalova, L, Cardona-Correa, A.A, Ojeda, I, Vargas, J, Johnson, M.E, Lee, H, Anderson, W.F, Center for Structural Genomics of Infectious Diseases, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2016-08-22
公開日2016-09-07
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Crystal structure of Zika virus NS2B-NS3 protease in apo-form.
To Be Published
8GUB
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Cryo-EM structure of cancer-specific PI3Kalpha mutant H1047R in complex with BYL-719
分子名称: (2S)-N~1~-{4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-4-yl]-1,3-thiazol-2-yl}pyrrolidine-1,2-dicarboxamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
著者Liu, X, Zhou, Q, Hart, J.R, Xu, Y, Yang, S, Yang, D, Vogt, P.K, Wang, M.-W.
登録日2022-09-11
公開日2022-11-23
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (2.73 Å)
主引用文献Cryo-EM structures of cancer-specific helical and kinase domain mutations of PI3K alpha.
Proc.Natl.Acad.Sci.USA, 119, 2022
6GYU
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Cryo-EM structure of the CBF3-msk complex of the budding yeast kinetochore
分子名称: Centromere DNA-binding protein complex CBF3 subunit A, Centromere DNA-binding protein complex CBF3 subunit B, Centromere DNA-binding protein complex CBF3 subunit C, ...
著者Yan, K, Zhang, Z, Yang, J, McLaughlin, S.H, Barford, D.
登録日2018-07-02
公開日2018-12-05
最終更新日2019-12-18
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Architecture of the CBF3-centromere complex of the budding yeast kinetochore.
Nat. Struct. Mol. Biol., 25, 2018
4AAC
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P38ALPHA MAP KINASE BOUND TO CMPD 29
分子名称: CHLORIDE ION, MITOGEN-ACTIVATED PROTEIN KINASE 14, N-isoxazol-3-yl-4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxo-quinazolin-3-yl]benzamide
著者Gerhardt, S, Hargreaves, D.
登録日2011-12-01
公開日2012-05-16
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The Discovery of N-Cyclopropyl-4-Methyl-3-[6--(4-Methylpiperazin-1-Yl-4-Oxoquinazolin-3(4H)-Yl]Benzamide (Azd6703), a Clinical P38Alpha Map Kinase Inhibitor for the Treatment of Inflammatory Diseases
Bioorg.Med.Chem.Lett., 22, 2012
6G3Y
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Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH5675
分子名称: 4-(4-azanyl-2-oxidanylidene-3~{H}-benzimidazol-1-yl)-~{N}-(4-iodophenyl)piperidine-1-carboxamide, ACETATE ION, N-glycosylase/DNA lyase, ...
著者Masuyer, G, Helleday, T, Stenmark, P.
登録日2018-03-26
公開日2018-11-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献Small-molecule inhibitor of OGG1 suppresses proinflammatory gene expression and inflammation.
Science, 362, 2018
1RT3
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AZT DRUG RESISTANT HIV-1 REVERSE TRANSCRIPTASE COMPLEXED WITH 1051U91
分子名称: 6,11-DIHYDRO-11-ETHYL-6-METHYL-9-NITRO-5H-PYRIDO[2,3-B][1,5]BENZODIAZEPIN-5-ONE, HIV-1 REVERSE TRANSCRIPTASE
著者Ren, J, Stammers, D.K, Stuart, D.I.
登録日1998-06-29
公開日1999-02-16
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献3'-Azido-3'-deoxythymidine drug resistance mutations in HIV-1 reverse transcriptase can induce long range conformational changes.
Proc.Natl.Acad.Sci.USA, 95, 1998
1RTJ
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BU of 1rtj by Molmil
MECHANISM OF INHIBITION OF HIV-1 REVERSE TRANSCRIPTASE BY NON-NUCLEOSIDE INHIBITORS
分子名称: HIV-1 REVERSE TRANSCRIPTASE
著者Ren, J, Esnouf, R, Ross, C, Jones, Y, Stammers, D, Stuart, D.
登録日1995-05-03
公開日1996-04-03
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Mechanism of inhibition of HIV-1 reverse transcriptase by non-nucleoside inhibitors.
Nat.Struct.Biol., 2, 1995
6GYS
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Cryo-EM structure of the CBF3-CEN3 complex of the budding yeast kinetochore
分子名称: Centromere DNA-binding protein complex CBF3 subunit A, Centromere DNA-binding protein complex CBF3 subunit B, Centromere DNA-binding protein complex CBF3 subunit C, ...
著者Yan, K, Zhang, Z, Yang, J, McLaughlin, S.H, Barford, D.
登録日2018-07-01
公開日2018-12-05
最終更新日2019-12-11
実験手法ELECTRON MICROSCOPY (4.4 Å)
主引用文献Architecture of the CBF3-centromere complex of the budding yeast kinetochore.
Nat. Struct. Mol. Biol., 25, 2018
6GYP
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Cryo-EM structure of the CBF3-core-Ndc10-DBD complex of the budding yeast kinetochore
分子名称: ARGININE, ASPARAGINE, Centromere DNA-binding protein complex CBF3 subunit A, ...
著者Yan, K, Zhang, Z, Yang, J, McLaughlin, S.H, Barford, D.
登録日2018-07-01
公開日2018-12-05
最終更新日2019-12-18
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Architecture of the CBF3-centromere complex of the budding yeast kinetochore.
Nat. Struct. Mol. Biol., 25, 2018
3UVN
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BU of 3uvn by Molmil
Crystal structure of WDR5 in complex with the WDR5-interacting motif of SET1A
分子名称: Histone-lysine N-methyltransferase SETD1A, WD repeat-containing protein 5
著者Zhang, P, Lee, H, Brunzelle, J.S, Couture, J.-F.
登録日2011-11-30
公開日2011-12-14
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.792 Å)
主引用文献The plasticity of WDR5 peptide-binding cleft enables the binding of the SET1 family of histone methyltransferases.
Nucleic Acids Res., 40, 2012
3UVM
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Crystal structure of WDR5 in complex with the WDR5-interacting motif of MLL4
分子名称: Histone-lysine N-methyltransferase MLL4, WD repeat-containing protein 5
著者Zhang, P, Lee, H, Brunzelle, J.S, Couture, J.-F.
登録日2011-11-30
公開日2011-12-14
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献The plasticity of WDR5 peptide-binding cleft enables the binding of the SET1 family of histone methyltransferases.
Nucleic Acids Res., 40, 2012
1EBM
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BU of 1ebm by Molmil
CRYSTAL STRUCTURE OF THE HUMAN 8-OXOGUANINE GLYCOSYLASE (HOGG1) BOUND TO A SUBSTRATE OLIGONUCLEOTIDE
分子名称: 8-OXOGUANINE DNA GLYCOSYLASE, CALCIUM ION, DNA (5'-D(*GP*CP*GP*TP*CP*CP*AP*(8OG)P*GP*TP*CP*TP*AP*CP*C)-3'), ...
著者Bruner, S.D, Norman, D.P, Verdine, G.L.
登録日2000-01-24
公開日2000-03-20
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural basis for recognition and repair of the endogenous mutagen 8-oxoguanine in DNA.
Nature, 403, 2000
1SUQ
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CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE (RT) IN COMPLEX WITH JANSSEN-R185545
分子名称: (6-[4-(AMINOMETHYL)-2,6-DIMETHYLPHENOXY]-2-{[4-(AMINOMETHYL)PHENYL]AMINO}-5-BROMOPYRIMIDIN-4-YL)METHANOL, MAGNESIUM ION, REVERSE TRANSCRIPTASE
著者Das, K, Arnold, E.
登録日2004-03-26
公開日2004-05-11
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Roles of Conformational and Positional Adaptability in Structure-Based Design of TMC125-R165335 (Etravirine) and Related Non-nucleoside Reverse Transcriptase Inhibitors That Are Highly Potent and Effective against Wild-Type and Drug-Resistant HIV-1 Variants
J.Med.Chem., 47, 2004
3UR4
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BU of 3ur4 by Molmil
Crystal structure of human WD repeat domain 5 with compound
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, SULFATE ION, ...
著者Dong, A, Dombrovski, L, Senisterra, G, Wernimont, A, Wasney, G.A, Allali Hassani, A, Nguyen, K.T, Smil, D, Bolshan, Y, Hajian, T, Poda, G, Chau, I, Al-Awar, R, Bountra, C, Weigelt, J, Edwards, A.M, Arrowsmith, C.H, Brown, P, Schapira, M, Vedadi, M, Wu, H, Structural Genomics Consortium (SGC)
登録日2011-11-21
公開日2011-12-14
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Small-molecule inhibition of MLL activity by disruption of its interaction with WDR5.
Biochem. J., 449, 2013
3UV4
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Crystal Structure of the second bromodomain of human Transcription initiation factor TFIID subunit 1 (TAF1)
分子名称: 1,2-ETHANEDIOL, GLYCEROL, PHOSPHATE ION, ...
著者Filippakopoulos, P, Picaud, S, Keates, T, Ugochukwu, E, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2011-11-29
公開日2012-03-14
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Histone recognition and large-scale structural analysis of the human bromodomain family.
Cell(Cambridge,Mass.), 149, 2012
7CFQ
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Crystal structure of WDR5 in complex with H3K4me3Q5ser peptide
分子名称: 1,2-ETHANEDIOL, GLYCEROL, H3K4me3Q5ser peptide, ...
著者Zhao, J, Zhang, X, Zang, J.
登録日2020-06-27
公開日2021-07-07
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural insights into the recognition of histone H3Q5 serotonylation by WDR5.
Sci Adv, 7, 2021
7CJB
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VHL recognizes hydroxyproline in RIPK1
分子名称: Elongin-B, Elongin-C, GLYCEROL, ...
著者Liu, J, Wang, Y, Pan, L.
登録日2020-07-09
公開日2021-07-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献VHL recognizes hydroxyproline in RIPK1
To Be Published
4KIL
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7-(4-fluorophenyl)-3-hydroxyquinolin-2(1H)-one bound to influenza 2009 H1N1 endonuclease
分子名称: 1,2-ETHANEDIOL, 7-(4-fluorophenyl)-3-hydroxyquinolin-2(1H)-one, MANGANESE (II) ION, ...
著者Bauman, J.D, Patel, D, Das, K, Arnold, E.
登録日2013-05-02
公開日2013-05-29
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献3-Hydroxyquinolin-2(1H)-ones As Inhibitors of Influenza A Endonuclease.
ACS Med Chem Lett, 4, 2013
1SV5
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CRYSTAL STRUCTURE OF K103N MUTANT HIV-1 REVERSE TRANSCRIPTASE (RT) IN COMPLEX WITH JANSSEN-R165335
分子名称: 4-({6-AMINO-5-BROMO-2-[(4-CYANOPHENYL)AMINO]PYRIMIDIN-4-YL}OXY)-3,5-DIMETHYLBENZONITRILE, Reverse Transcriptase
著者Das, K, Arnold, E.
登録日2004-03-27
公開日2004-05-11
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Roles of Conformational and Positional Adaptability in Structure-Based Design of TMC125-R165335 (Etravirine) and Related Non-nucleoside Reverse Transcriptase Inhibitors That Are Highly Potent and Effective against Wild-Type and Drug-Resistant HIV-1 Variants
J.Med.Chem., 47, 2004
4EH3
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Human p38 MAP kinase in complex with NP-F2 and RL87
分子名称: Mitogen-activated protein kinase 14, NARINGENIN, N~4~-cyclopropyl-2-phenylquinazoline-4,7-diamine
著者Over, B, Gruetter, C, Waldmann, H, Rauh, D.
登録日2012-04-02
公開日2012-12-05
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Natural-product-derived fragments for fragment-based ligand discovery.
Nat Chem, 5, 2012
4EH6
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Human p38 MAP kinase in complex with NP-F5 and RL87
分子名称: Mitogen-activated protein kinase 14, N-phenylpyridine-3-carboxamide, N~4~-cyclopropyl-2-phenylquinazoline-4,7-diamine
著者Over, B, Gruetter, C, Waldmann, H, Rauh, D.
登録日2012-04-02
公開日2012-12-05
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Natural-product-derived fragments for fragment-based ligand discovery.
Nat Chem, 5, 2012
1TQE
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Mechanism of recruitment of class II histone deacetylases by myocyte enhancer factor-2
分子名称: Histone deacetylase 9, MEF2 binding site of nur77 promoter, Myocyte-specific enhancer factor 2B
著者Chen, L, Han, A, He, J, Wu, Y, Liu, J.O.
登録日2004-06-17
公開日2004-12-21
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Mechanism of Recruitment of Class II Histone Deacetylases by Myocyte Enhancer Factor-2.
J.Mol.Biol., 345, 2005
6U62
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Raptor-Rag-Ragulator complex
分子名称: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Rogala, K.B, Sabatini, D.M.
登録日2019-08-29
公開日2019-10-30
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3.18 Å)
主引用文献Structural basis for the docking of mTORC1 on the lysosomal surface.
Science, 366, 2019
4IZ7
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Structure of Non-Phosphorylated ERK2 bound to the PEA-15 Death Effector Domain
分子名称: Astrocytic phosphoprotein PEA-15, Mitogen-activated protein kinase 1, SODIUM ION
著者Mace, P.D, Robinson, H, Riedl, S.J.
登録日2013-01-29
公開日2013-04-10
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure of ERK2 bound to PEA-15 reveals a mechanism for rapid release of activated MAPK.
Nat Commun, 4, 2013

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