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6M95
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BU of 6m95 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 1
Descriptor: (4-benzylpiperidin-1-yl)[2-methoxy-4-(methylsulfanyl)phenyl]methanone, Mitogen-activated protein kinase 14
Authors:Lane, W, Okada, K.
Deposit date:2018-08-22
Release date:2019-04-17
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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
Descriptor: DNA, Histone H2A, Histone H2B, ...
Authors:Kobayashi, W, Sappler, A, Bollschweiler, D, Kummecke, M, Basquin, J, Arslantas, E, Ruangroengkulrith, S, Hornberger, R, Duderstadt, K, Tachibana, K.
Deposit date:2023-06-26
Release date:2024-02-28
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite: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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BU of 7eg6 by Molmil
Snf5 Finger Helix bound to the nucleosome
Descriptor: DNA (235-MER), Histone H2A type 1, Histone H2B 1.1, ...
Authors:Chen, Z.C, Chen, K.J, He, Z.Y, Ye, Y.P.
Deposit date:2021-03-24
Release date:2022-01-12
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite: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
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Protein O-GlcNAcase, UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit, ...
Authors:Lu, P, Liu, Y, Yu, H, Gao, H.
Deposit date:2022-07-05
Release date:2023-07-12
Last modified:2024-01-24
Method:ELECTRON MICROSCOPY (3.92 Å)
Cite: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
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, DNA (30-MER), DNA (31-MER), ...
Authors:Chen, S, He, Y.
Deposit date:2022-10-31
Release date:2023-06-14
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (4.39 Å)
Cite: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
Descriptor: 3-benzyl-6-[(2,4-difluorophenyl)amino]-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one, Mitogen-activated protein kinase 14
Authors:Lane, W, Okada, K.
Deposit date:2018-08-23
Release date:2019-04-17
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.45 Å)
Cite: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
Descriptor: 26S protease regulatory subunit 10B, 26S protease regulatory subunit 4, 26S protease regulatory subunit 6A, ...
Authors:Huang, X.L, Luan, B, Wu, J.P, Shi, Y.G.
Deposit date:2016-07-01
Release date:2016-08-17
Last modified:2019-11-06
Method:ELECTRON MICROSCOPY (4.5 Å)
Cite: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
Descriptor: Chromatin modification-related protein EAF3, Histone deacetylase RPD3, POTASSIUM ION, ...
Authors:Wang, C, Zhan, X.
Deposit date:2023-09-05
Release date:2024-05-15
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structures and dynamics of Rpd3S complex bound to nucleosome.
Sci Adv, 10, 2024
7Z88
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BU of 7z88 by Molmil
DNA-PK in the intermediate state
Descriptor: (~{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, ...
Authors:Liang, S, Blundell, T.L.
Deposit date:2022-03-16
Release date:2023-01-18
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (3.33 Å)
Cite: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
Descriptor: (~{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, ...
Authors:Liang, S, Blundell, T.L.
Deposit date:2022-03-16
Release date:2023-01-18
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (2.91 Å)
Cite:Human DNA-dependent protein kinase activation mechanism.
Nat.Struct.Mol.Biol., 30, 2023
6WJN
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BU of 6wjn by Molmil
SD-like state of human 26S Proteasome with non-cleavable M1-linked hexaubiquitin and E3 ubiquitin ligase E6AP/UBE3A
Descriptor: 26S proteasome complex subunit SEM1, 26S proteasome non-ATPase regulatory subunit 1, 26S proteasome non-ATPase regulatory subunit 11, ...
Authors:Chen, X, Walters, K.J.
Deposit date:2020-04-14
Release date:2020-08-05
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (5.7 Å)
Cite: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)
Descriptor: Amyloid protein-binding protein 2, Cullin-2, Elongin-B, ...
Authors:Zhao, S, Zhang, K, Xu, C.
Deposit date:2023-05-07
Release date:2023-10-18
Last modified:2023-10-25
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite: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)
Descriptor: Amyloid protein-binding protein 2, Cullin-2, Elongin-B, ...
Authors:Zhao, S, Zhang, K, Xu, C.
Deposit date:2023-05-07
Release date:2023-10-18
Last modified:2023-10-25
Method:ELECTRON MICROSCOPY (3.22 Å)
Cite: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
Descriptor: 1-[4-(hydroxymethyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1S)-1-phenylethyl]urea, GLYCEROL, Mitogen-activated protein kinase 1, ...
Authors:Sok, P, Remenyi, A, Alexa, A, Poti, A.
Deposit date:2021-06-01
Release date:2022-02-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.45 Å)
Cite: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
Descriptor: Histone promoter control protein 2, Histone transcription regulator 3, Protein HIR2
Authors:Kim, H.J, Murakami, K.
Deposit date:2023-03-09
Release date:2024-07-10
Last modified:2024-08-07
Method:ELECTRON MICROSCOPY (6.8 Å)
Cite:Structure of the Hir histone chaperone complex.
Mol.Cell, 84, 2024
8GHM
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BU of 8ghm by Molmil
Hir1 WD40 domains and Asf1/H3/H4
Descriptor: Histone H3, Histone H4, Histone chaperone, ...
Authors:Kim, H.J, Murakami, K.
Deposit date:2023-03-10
Release date:2024-07-10
Last modified:2024-08-07
Method:ELECTRON MICROSCOPY (12 Å)
Cite: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
Descriptor: ACETATE ION, CALCIUM ION, Histone deacetylase 2, ...
Authors:Wan, M.S.M, Muhammad, R, Koliopolous, M.G, Alfieri, C.
Deposit date:2022-11-16
Release date:2023-05-10
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite: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
Descriptor: DNA (147-MER), Histone H2A type 1-B/E, Histone H2B type 1-K, ...
Authors:Ai, H.S, He, Z.Z, Deng, Z.H, Liu, L.
Deposit date:2023-09-20
Release date:2023-12-27
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (3.05 Å)
Cite: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
Descriptor: ACETATE ION, HISTONE DEACETYLASE 1, METASTASIS-ASSOCIATED PROTEIN MTA1, ...
Authors:Millard, C.J, Watson, P.J, Celardo, I, Gordiyenko, Y, Cowley, S.M, Robinson, C.V, Fairall, L, Schwabe, J.W.R.
Deposit date:2013-04-30
Release date:2013-07-03
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3 Å)
Cite: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
Descriptor: 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)), ...
Authors:Tan, S, Hunziker, Y, Sargent, D.F, Richmond, T.J.
Deposit date:1996-04-05
Release date:1996-06-20
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite: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
Descriptor: (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
Authors:Vigers, G.P, Smith, D.
Deposit date:2019-04-25
Release date:2019-07-31
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3 Å)
Cite:Activation loop dynamics are controlled by conformation-selective inhibitors of ERK2.
Proc.Natl.Acad.Sci.USA, 116, 2019
6OPH
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BU of 6oph by Molmil
phosphorylated ERK2 with GDC-0994
Descriptor: 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
Authors:Vigers, G.P, Smith, D.
Deposit date:2019-04-25
Release date:2019-07-31
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Activation loop dynamics are controlled by conformation-selective inhibitors of ERK2.
Proc.Natl.Acad.Sci.USA, 116, 2019
6OPG
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BU of 6opg by Molmil
phosphorylated ERK2 with AMP-PNP
Descriptor: MAGNESIUM ION, Mitogen-activated protein kinase 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
Authors:Vigers, G.P, Smith, D.
Deposit date:2019-04-25
Release date:2019-07-31
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Activation loop dynamics are controlled by conformation-selective inhibitors of ERK2.
Proc.Natl.Acad.Sci.USA, 116, 2019
6OPK
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BU of 6opk by Molmil
Phosphorylated ERK2 with Vertex-11e
Descriptor: 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
Authors:Vigers, G.P, Rudolph, J.
Deposit date:2019-04-25
Release date:2019-07-31
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.54 Å)
Cite: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
Descriptor: Nuclear pore complex protein Nup155, Nuclear pore complex protein Nup205, Nuclear pore complex protein Nup93, ...
Authors:Schuller, A.P, Wojtynek, M, Mankus, D, Tatli, M, Kronenberg-Tenga, R, Regmi, S.G, Dasso, M, Weis, K, Medalia, O, Schwartz, T.U.
Deposit date:2021-08-11
Release date:2021-10-20
Last modified:2021-11-24
Method:ELECTRON MICROSCOPY (35 Å)
Cite:The cellular environment shapes the nuclear pore complex architecture.
Nature, 598, 2021

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數據於2024-09-11公開中

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