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8SNA
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BU of 8sna by Molmil
Cryo-EM structure of the human nucleosome core particle in complex with RNF168 and UbcH5c with backside ubiquitin (UbcH5c chemically conjugated to histone H2A) (class 2)
分子名称: DNA (147-MER), E3 ubiquitin-protein ligase RNF168, Histone H2A type 1-B/E, ...
著者Hu, Q, Botuyan, M.V, Zhao, D, Cui, G, Mer, G.
登録日2023-04-26
公開日2024-01-17
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Mechanisms of RNF168 nucleosome recognition and ubiquitylation.
Mol.Cell, 84, 2024
5TFN
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BU of 5tfn by Molmil
CRYSTAL STRUCTURE OF THE ZIKA VIRUS NS2B-NS3 PROTEASE in super-open conformation
分子名称: NS2B-NS3 Protease CHIMERA,Genome polyprotein
著者Aleshin, A.E, Bankston, L, Liddington, R.C.
登録日2016-09-26
公開日2017-10-25
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献A novel conformation for the Zika virus NS2B-NS3 protease offers new insights into biological regulation and inhibitor design.
To Be Published
5XQ5
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BU of 5xq5 by Molmil
NMR structure of the domain 5 of the E. coli ribosomal protein S1
分子名称: 30S ribosomal protein S1
著者Lu, Y, Lim, L.Z, Song, J.
登録日2017-06-06
公開日2018-06-06
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献NMR structure of the domain 5 of the E. coli ribosomal protein S1
To Be Published
6FIC
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BU of 6fic by Molmil
Bivalent Inhibitor UNC4512 Bound to the TAF1 Bromodomain Tandem
分子名称: 3-azanyl-2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[3-azanyl-1-[[2-[[3-methyl-6-[4-methyl-3-(methylsulfonyl-$l^{2}-azanyl)cyclohexa-1,3,5-trien-1-yl]-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]-$l^{2}-azanyl]-2-oxidanylidene-ethyl]amino]-1-oxidanylidene-propan-2-yl]amino]-2-oxidanylidene-ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-~{N}-[3-[[3-methyl-6-[4-methyl-3-(methylsulfonylamino)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]amino]-3-oxidanylidene-propyl]propanamide, Transcription initiation factor TFIID subunit 1
著者Mathea, S, Suh, J.L, Salah, E, Tallant, C, Siejka, P, Pike, A.C.W, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, James, L.I, Frye, S.V, Knapp, S.
登録日2018-01-17
公開日2018-01-31
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Bivalent Inhibitor UNC4512 Bound to the TAF1 Bromodomain Tandem
To Be Published
6F07
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CBF3 Core Complex
分子名称: Centromere DNA-binding protein complex CBF3 subunit B, Suppressor of kinetochore protein 1, ZINC ION
著者Leber, V, Singleton, M.R.
登録日2017-11-17
公開日2017-12-13
最終更新日2019-12-11
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Structural basis for assembly of the CBF3 kinetochore complex.
EMBO J., 37, 2018
1JEY
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BU of 1jey by Molmil
Crystal Structure of the Ku heterodimer bound to DNA
分子名称: DNA (34-MER), DNA (5'-D(*GP*TP*TP*TP*TP*TP*AP*GP*TP*TP*TP*AP*TP*TP*GP*GP*GP*CP*GP*CP*G)-3'), Ku70, ...
著者Walker, J.R, Corpina, R.A, Goldberg, J.
登録日2001-06-19
公開日2001-08-10
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure of the Ku heterodimer bound to DNA and its implications for double-strand break repair.
Nature, 412, 2001
3UV5
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BU of 3uv5 by Molmil
Crystal Structure of the tandem bromodomains of human Transcription initiation factor TFIID subunit 1 (TAF1)
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Transcription initiation factor TFIID subunit 1
著者Filippakopoulos, P, Felletar, I, Picaud, S, Keates, T, Muniz, J, Gileadi, O, 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2012-01-18
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Histone recognition and large-scale structural analysis of the human bromodomain family.
Cell(Cambridge,Mass.), 149, 2012
3UVO
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BU of 3uvo by Molmil
Crystal structure of WDR5 in complex with the WDR5-interacting motif of SET1B
分子名称: Histone-lysine N-methyltransferase SETD1B, 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 (2.2 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
1GOL
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BU of 1gol by Molmil
COORDINATES OF RAT MAP KINASE ERK2 WITH AN ARGININE MUTATION AT POSITION 52
分子名称: ADENOSINE-5'-TRIPHOSPHATE, EXTRACELLULAR REGULATED KINASE 2, MAGNESIUM ION
著者Harkins, P.C, Zhang, F, Goldsmith, E.J.
登録日1996-01-23
公開日1997-03-12
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Mutation of position 52 in ERK2 creates a nonproductive binding mode for adenosine 5'-triphosphate.
Biochemistry, 35, 1996
4A9Y
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BU of 4a9y by Molmil
P38ALPHA MAP KINASE BOUND TO CMPD 8
分子名称: MITOGEN-ACTIVATED PROTEIN KINASE 14, N-(3-{[7-METHOXY-6-(2-PYRROLIDIN-1-YLETHOXY)QUINAZOLIN-4-YL]AMINO}-4-METHYLPHENYL)-2-MORPHOLIN-4-YLISONICOTINAMIDE
著者Gerhardt, S, Hargreaves, D.
登録日2011-11-29
公開日2012-05-16
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.2 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
4AA0
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BU of 4aa0 by Molmil
P38ALPHA MAP KINASE BOUND TO CMPD 2
分子名称: MITOGEN-ACTIVATED PROTEIN KINASE 14, N-[4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxidanylidene-quinazolin-3-yl]phenyl]-2-morpholin-4-yl-pyridine-4-carboxamide
著者Gerhardt, S, Hargreaves, D.
登録日2011-11-30
公開日2012-05-16
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.8 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
1S6Q
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BU of 1s6q by Molmil
CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE (RT) IN COMPLEX WITH JANSSEN-R147681
分子名称: 4-[4-(2,4,6-TRIMETHYL-PHENYLAMINO)-PYRIMIDIN-2-YLAMINO]-BENZONITRILE, POL polyprotein [Contains: Reverse transcriptase]
著者Das, K, Arnold, E.
登録日2004-01-26
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
6WJQ
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BU of 6wjq by Molmil
Crystal structure of WDR5 in complex with the WIN peptide of PDPK1
分子名称: 3-phosphoinositide-dependent protein kinase 1, WD repeat-containing protein 5
著者Zhao, B, Fesik, S.
登録日2020-04-14
公開日2021-01-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.71 Å)
主引用文献Crystal structure of WDR5 in complex with the WIN peptide of PDPK1
Cell Rep, 2021
3UVL
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BU of 3uvl by Molmil
Crystal structure of WDR5 in complex with the WDR5-interacting motif of MLL3
分子名称: Histone-lysine N-methyltransferase MLL3, 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 (2.2 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
3KTU
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BU of 3ktu by Molmil
Structure of human 8-oxoGuanine Glycosylase 1 bound to fluorninated oxoG-containing DNA
分子名称: CALCIUM ION, DNA (5'-D(*GP*GP*TP*AP*GP*AP*CP*CP*TP*GP*GP*AP*C)-3'), DNA (5'-D(*GP*TP*CP*CP*AP*(FDG)P*GP*TP*CP*TP*AP*C)-3'), ...
著者Verdine, G.L, Lee, S.M.
登録日2009-11-26
公開日2010-07-14
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural investigation of hOGG1 bound to a fluorinated oxoG analog
to be published
8I02
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BU of 8i02 by Molmil
Cryo-EM structure of the SIN3S complex from S. pombe
分子名称: Chromatin modification-related protein eaf3, Cph1, Histone deacetylase clr6, ...
著者Wang, C, Guo, Z, Zhan, X.
登録日2023-01-10
公開日2023-05-03
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Two assembly modes for SIN3 histone deacetylase complexes.
Cell Discov, 9, 2023
8I03
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BU of 8i03 by Molmil
Cryo-EM structure of the SIN3L complex from S. pombe
分子名称: Chromatin modification-related protein png2, Histone deacetylase clr6, POTASSIUM ION, ...
著者Wang, C, Guo, Z, Zhan, X.
登録日2023-01-10
公開日2023-05-03
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Two assembly modes for SIN3 histone deacetylase complexes.
Cell Discov, 9, 2023
1EGW
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BU of 1egw by Molmil
CRYSTAL STRUCTURE OF MEF2A CORE BOUND TO DNA
分子名称: DNA (5'-D(*AP*AP*AP*GP*CP*TP*AP*TP*TP*AP*TP*TP*AP*GP*CP*TP*T)-3'), DNA (5'-D(*TP*AP*AP*GP*CP*TP*AP*AP*TP*AP*AP*TP*AP*GP*CP*TP*T)-3'), MADS BOX TRANSCRIPTION ENHANCER FACTOR 2, ...
著者Santelli, E, Richmond, T.J.
登録日2000-02-17
公開日2000-03-20
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal structure of MEF2A core bound to DNA at 1.5 A resolution.
J.Mol.Biol., 297, 2000
6YE3
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BU of 6ye3 by Molmil
IL-2 in complex with a Fab fragment from UFKA-20
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Chains: A,D,G, Chains: B,E,H, ...
著者Karakus, U, Mittl, P, Boyman, O.
登録日2020-03-23
公開日2020-12-30
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.89 Å)
主引用文献Receptor-gated IL-2 delivery by an anti-human IL-2 antibody activates regulatory T cells in three different species.
Sci Transl Med, 12, 2020
6G3X
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BU of 6g3x by Molmil
Native Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1
分子名称: N-glycosylase/DNA lyase, NICKEL (II) ION
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 (2.1 Å)
主引用文献Small-molecule inhibitor of OGG1 suppresses proinflammatory gene expression and inflammation.
Science, 362, 2018
8I7R
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In situ structure of axonemal doublet microtubules in mouse sperm with 48-nm repeat
分子名称: Cilia and flagella-associated protein 77, Cilia- and flagella-associated protein 107, Cilia- and flagella-associated protein 141, ...
著者Zhu, Y, Yin, G.L, Tai, L.H, Sun, F.
登録日2023-02-02
公開日2023-10-11
最終更新日2023-12-06
実験手法ELECTRON MICROSCOPY (6.5 Å)
主引用文献In-cell structural insight into the stability of sperm microtubule doublet.
Cell Discov, 9, 2023
6G40
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Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH9525
分子名称: ACETATE ION, DI(HYDROXYETHYL)ETHER, N-glycosylase/DNA lyase, ...
著者Masuyer, G, Helleday, T, Stenmark, P.
登録日2018-03-26
公開日2019-04-10
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Optimization of N-Piperidinyl-Benzimidazolone Derivatives as Potent and Selective Inhibitors of 8-Oxo-Guanine DNA Glycosylase 1.
Chemmedchem, 18, 2023
1S6P
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CRYSTAL STRUCTURE OF HUMAN IMMUNODEFICIENCY VIRUS TYPE 1 REVERSE TRANSCRIPTASE (RT) IN COMPLEX WITH JANSSEN-R100943
分子名称: 1-(4-CYANO-PHENYL)-3-[2-(2,6-DICHLORO-PHENYL)-1-IMINO-ETHYL]-THIOUREA, MAGNESIUM ION, POL polyprotein [Contains: Reverse transcriptase]
著者Das, K, Arnold, E.
登録日2004-01-26
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
1S9E
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CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE (RT) IN COMPLEX WITH JANSSEN-R129385
分子名称: 4-[4-AMINO-6-(2,6-DICHLORO-PHENOXY)-[1,3,5]TRIAZIN-2-YLAMINO]-BENZONITRILE, POL polyprotein [Contains: Reverse transcriptase], 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 (2.6 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
8IFG
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Cryo-EM structure of the Clr6S (Clr6-HDAC) complex from S. pombe
分子名称: Chromatin modification-related protein eaf3, Cph1, Cph2, ...
著者Zhang, H.Q, Wang, X, Wang, Y.N, Liu, S.M, Zhang, Y, Xu, K, Ji, L.T, Kornberg, R.D.
登録日2023-02-17
公開日2024-01-03
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Class I histone deacetylase complex: Structure and functional correlates.
Proc Natl Acad Sci U S A, 120, 2023

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