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6M95
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Structure-based Design, Synthesis, and Biological Evaluation of Imidazo[4,5-b]pyridine-2-one based p38 MAP Kinase Inhibitors by scaffold hopping: compound 1
分子名称: (4-benzylpiperidin-1-yl)[2-methoxy-4-(methylsulfanyl)phenyl]methanone, Mitogen-activated protein kinase 14
著者Lane, W, Okada, K.
登録日2018-08-22
公開日2019-04-17
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure-Based Design, Synthesis, and Biological Evaluation of Imidazo[4,5-b]pyridin-2-one-Based p38 MAP Kinase Inhibitors: Part 1.
Chemmedchem, 14, 2019
8PKJ
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BU of 8pkj by Molmil
Cryo-EM structure of the nucleosome containing Nr5a2 motif at SHL+5.5
分子名称: DNA, Histone H2A, Histone H2B, ...
著者Kobayashi, W, Sappler, A, Bollschweiler, D, Kummecke, M, Basquin, J, Arslantas, E, Ruangroengkulrith, S, Hornberger, R, Duderstadt, K, Tachibana, K.
登録日2023-06-26
公開日2024-02-28
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (2.5 Å)
主引用文献Nucleosome-bound NR5A2 structure reveals pioneer factor mechanism by DNA minor groove anchor competition.
Nat.Struct.Mol.Biol., 31, 2024
7EG6
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Snf5 Finger Helix bound to the nucleosome
分子名称: DNA (235-MER), Histone H2A type 1, Histone H2B 1.1, ...
著者Chen, Z.C, Chen, K.J, He, Z.Y, Ye, Y.P.
登録日2021-03-24
公開日2022-01-12
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structure of the SWI/SNF complex bound to the nucleosome and insights into the functional modularity.
Cell Discov, 7, 2021
7YEH
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BU of 7yeh by Molmil
Cryo-EM structure of human OGT-OGA complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Protein O-GlcNAcase, UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit, ...
著者Lu, P, Liu, Y, Yu, H, Gao, H.
登録日2022-07-05
公開日2023-07-12
最終更新日2024-01-24
実験手法ELECTRON MICROSCOPY (3.92 Å)
主引用文献Cryo-EM structure of human O-GlcNAcylation enzyme pair OGT-OGA complex.
Nat Commun, 14, 2023
8EZA
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BU of 8eza by Molmil
NHEJ Long-range complex with PAXX
分子名称: ADENOSINE-5'-TRIPHOSPHATE, DNA (30-MER), DNA (31-MER), ...
著者Chen, S, He, Y.
登録日2022-10-31
公開日2023-06-14
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (4.39 Å)
主引用文献Cryo-EM visualization of DNA-PKcs structural intermediates in NHEJ.
Sci Adv, 9, 2023
6M9L
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BU of 6m9l by Molmil
Structure-based Design, Synthesis, and Biological Evaluation of Imidazo[4,5-b]pyridine-2-one based p38 MAP Kinase Inhibitors by scaffold hopping - compound 10
分子名称: 3-benzyl-6-[(2,4-difluorophenyl)amino]-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one, Mitogen-activated protein kinase 14
著者Lane, W, Okada, K.
登録日2018-08-23
公開日2019-04-17
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Structure-Based Design, Synthesis, and Biological Evaluation of Imidazo[4,5-b]pyridin-2-one-Based p38 MAP Kinase Inhibitors: Part 1.
Chemmedchem, 14, 2019
5GJQ
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BU of 5gjq by Molmil
Structure of the human 26S proteasome bound to USP14-UbAl
分子名称: 26S protease regulatory subunit 10B, 26S protease regulatory subunit 4, 26S protease regulatory subunit 6A, ...
著者Huang, X.L, Luan, B, Wu, J.P, Shi, Y.G.
登録日2016-07-01
公開日2016-08-17
最終更新日2019-11-06
実験手法ELECTRON MICROSCOPY (4.5 Å)
主引用文献An atomic structure of the human 26S proteasome.
Nat. Struct. Mol. Biol., 23, 2016
8W9C
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BU of 8w9c by Molmil
Cryo-EM structure of the Rpd3S complex from budding yeast
分子名称: Chromatin modification-related protein EAF3, Histone deacetylase RPD3, POTASSIUM ION, ...
著者Wang, C, Zhan, X.
登録日2023-09-05
公開日2024-05-15
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structures and dynamics of Rpd3S complex bound to nucleosome.
Sci Adv, 10, 2024
7Z88
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DNA-PK in the intermediate state
分子名称: (~{S})-[2-chloranyl-4-fluoranyl-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(6-methoxypyridazin-3-yl)methanol, DNA (26-MER), DNA-dependent protein kinase catalytic subunit, ...
著者Liang, S, Blundell, T.L.
登録日2022-03-16
公開日2023-01-18
最終更新日2024-07-24
実験手法ELECTRON MICROSCOPY (3.33 Å)
主引用文献Human DNA-dependent protein kinase activation mechanism.
Nat.Struct.Mol.Biol., 30, 2023
7Z87
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BU of 7z87 by Molmil
DNA-PK in the active state
分子名称: (~{S})-[2-chloranyl-4-fluoranyl-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(6-methoxypyridazin-3-yl)methanol, DNA (26-MER), DNA-dependent protein kinase catalytic subunit, ...
著者Liang, S, Blundell, T.L.
登録日2022-03-16
公開日2023-01-18
最終更新日2024-07-24
実験手法ELECTRON MICROSCOPY (2.91 Å)
主引用文献Human DNA-dependent protein kinase activation mechanism.
Nat.Struct.Mol.Biol., 30, 2023
6WJN
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SD-like state of human 26S Proteasome with non-cleavable M1-linked hexaubiquitin and E3 ubiquitin ligase E6AP/UBE3A
分子名称: 26S proteasome complex subunit SEM1, 26S proteasome non-ATPase regulatory subunit 1, 26S proteasome non-ATPase regulatory subunit 11, ...
著者Chen, X, Walters, K.J.
登録日2020-04-14
公開日2020-08-05
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (5.7 Å)
主引用文献Cryo-EM Reveals Unanchored M1-Ubiquitin Chain Binding at hRpn11 of the 26S Proteasome.
Structure, 28, 2020
8JAR
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BU of 8jar by Molmil
Structure of CRL2APPBP2 bound with RxxGPAA degron (dimer)
分子名称: Amyloid protein-binding protein 2, Cullin-2, Elongin-B, ...
著者Zhao, S, Zhang, K, Xu, C.
登録日2023-05-07
公開日2023-10-18
最終更新日2023-10-25
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Molecular basis for C-degron recognition by CRL2 APPBP2 ubiquitin ligase.
Proc.Natl.Acad.Sci.USA, 120, 2023
8JAU
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BU of 8jau by Molmil
Structure of CRL2APPBP2 bound with the C-degron of MRPL28 (dimer)
分子名称: Amyloid protein-binding protein 2, Cullin-2, Elongin-B, ...
著者Zhao, S, Zhang, K, Xu, C.
登録日2023-05-07
公開日2023-10-18
最終更新日2023-10-25
実験手法ELECTRON MICROSCOPY (3.22 Å)
主引用文献Molecular basis for C-degron recognition by CRL2 APPBP2 ubiquitin ligase.
Proc.Natl.Acad.Sci.USA, 120, 2023
7OPM
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BU of 7opm by Molmil
Phosphorylated ERK2 in complex with ORF45
分子名称: 1-[4-(hydroxymethyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1S)-1-phenylethyl]urea, GLYCEROL, Mitogen-activated protein kinase 1, ...
著者Sok, P, Remenyi, A, Alexa, A, Poti, A.
登録日2021-06-01
公開日2022-02-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献A non-catalytic herpesviral protein reconfigures ERK-RSK signaling by targeting kinase docking systems in the host.
Nat Commun, 13, 2022
8GHA
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BU of 8gha by Molmil
Hir3 Arm/Tail, Hir2 WD40, C-terminal Hpc2
分子名称: Histone promoter control protein 2, Histone transcription regulator 3, Protein HIR2
著者Kim, H.J, Murakami, K.
登録日2023-03-09
公開日2024-07-10
最終更新日2024-08-07
実験手法ELECTRON MICROSCOPY (6.8 Å)
主引用文献Structure of the Hir histone chaperone complex.
Mol.Cell, 84, 2024
8GHM
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Hir1 WD40 domains and Asf1/H3/H4
分子名称: Histone H3, Histone H4, Histone chaperone, ...
著者Kim, H.J, Murakami, K.
登録日2023-03-10
公開日2024-07-10
最終更新日2024-08-07
実験手法ELECTRON MICROSCOPY (12 Å)
主引用文献Structure of the Hir histone chaperone complex.
Mol.Cell, 84, 2024
8BPB
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BU of 8bpb by Molmil
Cryo-EM structure of the human SIN3B histone deacetylase core complex at 2.8 Angstrom
分子名称: ACETATE ION, CALCIUM ION, Histone deacetylase 2, ...
著者Wan, M.S.M, Muhammad, R, Koliopolous, M.G, Alfieri, C.
登録日2022-11-16
公開日2023-05-10
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Mechanism of assembly, activation and lysine selection by the SIN3B histone deacetylase complex.
Nat Commun, 14, 2023
8WG5
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BU of 8wg5 by Molmil
Cryo-EM structure of USP16 bound to H2AK119Ub nucleosome
分子名称: DNA (147-MER), Histone H2A type 1-B/E, Histone H2B type 1-K, ...
著者Ai, H.S, He, Z.Z, Deng, Z.H, Liu, L.
登録日2023-09-20
公開日2023-12-27
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (3.05 Å)
主引用文献Structural and mechanistic basis for nucleosomal H2AK119 deubiquitination by single-subunit deubiquitinase USP16.
Nat.Struct.Mol.Biol., 2024
4BKX
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BU of 4bkx by Molmil
The structure of HDAC1 in complex with the dimeric ELM2-SANT domain of MTA1 from the NuRD complex
分子名称: ACETATE ION, HISTONE DEACETYLASE 1, METASTASIS-ASSOCIATED PROTEIN MTA1, ...
著者Millard, C.J, Watson, P.J, Celardo, I, Gordiyenko, Y, Cowley, S.M, Robinson, C.V, Fairall, L, Schwabe, J.W.R.
登録日2013-04-30
公開日2013-07-03
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Class I Hdacs Share a Common Mechanism of Regulation by Inositol Phosphates.
Mol.Cell, 51, 2013
1YTF
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BU of 1ytf by Molmil
YEAST TFIIA/TBP/DNA COMPLEX
分子名称: DNA (5'-D(*GP*TP*TP*TP*TP*AP*TP*AP*TP*AP*CP*AP*TP*AP*CP*A)-3'), DNA (5'-D(*TP*GP*TP*AP*TP*GP*TP*AP*TP*AP*TP*AP*AP*AP*AP*C)-3'), PROTEIN (TATA BINDING PROTEIN (TBP)), ...
著者Tan, S, Hunziker, Y, Sargent, D.F, Richmond, T.J.
登録日1996-04-05
公開日1996-06-20
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of a yeast TFIIA/TBP/DNA complex.
Nature, 381, 1996
6OPI
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BU of 6opi by Molmil
phosphorylated ERK2 with SCH-CPD336
分子名称: (3R)-N-[3-(2-cyclopropylpyridin-4-yl)-1H-indazol-5-yl]-3-(methoxymethyl)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]-3,6-dihydropyridin-1(2H)-yl}ethyl)pyrrolidine-3-carboxamide, Mitogen-activated protein kinase 1
著者Vigers, G.P, Smith, D.
登録日2019-04-25
公開日2019-07-31
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Activation loop dynamics are controlled by conformation-selective inhibitors of ERK2.
Proc.Natl.Acad.Sci.USA, 116, 2019
6OPH
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phosphorylated ERK2 with GDC-0994
分子名称: 1-[(1~{S})-1-(4-chloranyl-3-fluoranyl-phenyl)-2-oxidanyl-ethyl]-4-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one, Mitogen-activated protein kinase 1
著者Vigers, G.P, Smith, D.
登録日2019-04-25
公開日2019-07-31
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Activation loop dynamics are controlled by conformation-selective inhibitors of ERK2.
Proc.Natl.Acad.Sci.USA, 116, 2019
6OPG
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phosphorylated ERK2 with AMP-PNP
分子名称: MAGNESIUM ION, Mitogen-activated protein kinase 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
著者Vigers, G.P, Smith, D.
登録日2019-04-25
公開日2019-07-31
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Activation loop dynamics are controlled by conformation-selective inhibitors of ERK2.
Proc.Natl.Acad.Sci.USA, 116, 2019
6OPK
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Phosphorylated ERK2 with Vertex-11e
分子名称: 4-{2-[(2-chloro-4-fluorophenyl)amino]-5-methylpyrimidin-4-yl}-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide, Mitogen-activated protein kinase 1
著者Vigers, G.P, Rudolph, J.
登録日2019-04-25
公開日2019-07-31
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.54 Å)
主引用文献Activation loop dynamics are controlled by conformation-selective inhibitors of ERK2.
Proc.Natl.Acad.Sci.USA, 116, 2019
7PER
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BU of 7per by Molmil
Model of the inner ring of the human nuclear pore complex
分子名称: Nuclear pore complex protein Nup155, Nuclear pore complex protein Nup205, Nuclear pore complex protein Nup93, ...
著者Schuller, A.P, Wojtynek, M, Mankus, D, Tatli, M, Kronenberg-Tenga, R, Regmi, S.G, Dasso, M, Weis, K, Medalia, O, Schwartz, T.U.
登録日2021-08-11
公開日2021-10-20
最終更新日2021-11-24
実験手法ELECTRON MICROSCOPY (35 Å)
主引用文献The cellular environment shapes the nuclear pore complex architecture.
Nature, 598, 2021

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