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6QDZ
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BU of 6qdz by Molmil
P38 alpha complex with AR117045
Descriptor: 1-[5-~{tert}-butyl-2-(4-methylphenyl)pyrazol-3-yl]-3-[(1~{S},4~{S})-4-[(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]urea, 2-fluoro-4-[4-(4-fluorophenyl)-1H-pyrazol-3-yl]pyridine, Mitogen-activated protein kinase 14
Authors:Brown, D.G, Hurley, C, Irving, S.L.
Deposit date:2019-01-03
Release date:2020-01-29
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:P38 alpha complex with AR117045
To Be Published
7K11
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BU of 7k11 by Molmil
CryoEM structure of inactivated-form FATKIN domain of DNA-PK
Descriptor: DNA-dependent protein kinase catalytic subunit
Authors:Chen, X, Gellert, M, Yang, W.
Deposit date:2020-09-06
Release date:2021-01-06
Last modified:2025-05-21
Method:ELECTRON MICROSCOPY (3.21 Å)
Cite:Structure of an activated DNA-PK and its implications for NHEJ.
Mol.Cell, 81, 2021
8WQC
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BU of 8wqc by Molmil
cryo-EM structure of neddylated CUL2-RBX1-ELOB-ELOC-FEM1B bound with the C-degron of CDK5R1
Descriptor: Cullin-2, E3 ubiquitin-protein ligase RBX1, N-terminally processed, ...
Authors:Chen, X, Zhang, K, Xu, C.
Deposit date:2023-10-11
Release date:2024-04-03
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (3.54 Å)
Cite:Mechanism of Psi-Pro/C-degron recognition by the CRL2 FEM1B ubiquitin ligase.
Nat Commun, 15, 2024
8WQG
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BU of 8wqg by Molmil
cryo-EM structure of neddylated CUL2-RBX1-ELOB-ELOC-FEM1B bound with the C-degron of CCDC89 (conformation 1)
Descriptor: Cullin-2, E3 ubiquitin-protein ligase RBX1, N-terminally processed, ...
Authors:Chen, X, Zhang, K, Xu, C.
Deposit date:2023-10-11
Release date:2024-04-03
Last modified:2024-10-09
Method:ELECTRON MICROSCOPY (4.09 Å)
Cite:Mechanism of Psi-Pro/C-degron recognition by the CRL2 FEM1B ubiquitin ligase.
Nat Commun, 15, 2024
7K78
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BU of 7k78 by Molmil
antibody and nucleosome complex
Descriptor: Cse4, DNA (136-MER), Histone H2A.1, ...
Authors:Ruifang, G, Yawen, B.
Deposit date:2020-09-22
Release date:2021-03-31
Last modified:2024-11-20
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural and dynamic mechanisms of CBF3-guided centromeric nucleosome formation.
Nat Commun, 12, 2021
6V8O
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BU of 6v8o by Molmil
RSC core
Descriptor: Chromatin structure-remodeling complex protein RSC14, Chromatin structure-remodeling complex protein RSC3, Chromatin structure-remodeling complex protein RSC30, ...
Authors:Patel, A.B, Moore, C.M, Greber, B.J, Nogales, E.
Deposit date:2019-12-11
Release date:2020-01-15
Last modified:2025-06-04
Method:ELECTRON MICROSCOPY (3.07 Å)
Cite:Architecture of the chromatin remodeler RSC and insights into its nucleosome engagement.
Elife, 8, 2019
5O8V
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BU of 5o8v by Molmil
Covalent Inhibitor 4a bound to the Lipid Pocket of p38alpha Mutant S251C
Descriptor: Mitogen-activated protein kinase 14, ~{N}-[3-[7-azanyl-4-(2-phenylethylamino)quinazolin-2-yl]phenyl]propanamide
Authors:Buehrmann, M, Rauh, D.
Deposit date:2017-06-14
Release date:2017-09-06
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:Covalent Lipid Pocket Ligands Targeting p38 alpha MAPK Mutants.
Angew. Chem. Int. Ed. Engl., 56, 2017
6QE1
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BU of 6qe1 by Molmil
P38 alpha complex with AR117046
Descriptor: 1-[5-~{tert}-butyl-2-(4-methylphenyl)pyrazol-3-yl]-3-[(1~{S},4~{R})-4-[(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]urea, 2-fluoro-4-[4-(4-fluorophenyl)-1H-pyrazol-3-yl]pyridine, Mitogen-activated protein kinase 14
Authors:Brown, D.G, Hurley, C, Irving, S.L.
Deposit date:2019-01-03
Release date:2020-01-29
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:P38 alpha complex with AR117045 and AR117046
To Be Published
5XYX
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BU of 5xyx by Molmil
The structure of p38 alpha in complex with a triazol inhibitor
Descriptor: Mitogen-activated protein kinase 14, N-(2-chloro-6-fluorobenzyl)-5-(furan-2-yl)-2H-1,2,4-triazol-3-amine
Authors:Wang, Y.L, Sun, Y.Z, Cao, R, Liu, D, Li, L, Qi, X.B, Huang, N.
Deposit date:2017-07-11
Release date:2018-01-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:In Silico Identification of a Novel Hinge-Binding Scaffold for Kinase Inhibitor Discovery.
J. Med. Chem., 60, 2017
1UBB
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BU of 1ubb by Molmil
Crystal structure of rat HO-1 in complex with ferrous heme
Descriptor: Heme oxygenase 1, PROTOPORPHYRIN IX CONTAINING FE
Authors:Sugishima, M, Sakamoto, H, Higashimoto, Y, Noguchi, M, Fukuyama, K.
Deposit date:2003-04-03
Release date:2003-09-02
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structures of Ferrous and CO-, CN(-)-, and NO-Bound Forms of Rat Heme Oxygenase-1 (HO-1) in Complex with Heme: Structural Implications for Discrimination between CO and O(2) in HO-1.
Biochemistry, 42, 2003
5XYY
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BU of 5xyy by Molmil
The structure of p38 alpha in complex with a triazol inhibitor
Descriptor: 3-(5-{[(2-chloro-6-fluorophenyl)methyl]amino}-4H-1,2,4-triazol-3-yl)phenol, Mitogen-activated protein kinase 14
Authors:Wang, Y.L, Sun, Y.Z, Cao, R, Liu, D, Li, L, Qi, X.B, Huang, N.
Deposit date:2017-07-11
Release date:2018-01-17
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:In Silico Identification of a Novel Hinge-Binding Scaffold for Kinase Inhibitor Discovery.
J. Med. Chem., 60, 2017
1U2V
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BU of 1u2v by Molmil
Crystal structure of Arp2/3 complex with bound ADP and calcium
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Actin-Related Protein 2, Actin-Related Protein 3, ...
Authors:Nolen, B.J, Littlefield, R.S, Pollard, T.D.
Deposit date:2004-07-20
Release date:2004-11-09
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Crystal structures of actin-related protein 2/3 complex with bound ATP or ADP
Proc.Natl.Acad.Sci.Usa, 101, 2004
8GA8
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BU of 8ga8 by Molmil
Structure of the yeast (HDAC) Rpd3L complex
Descriptor: Histone deacetylase RPD3, Transcriptional regulatory protein DEP1, Transcriptional regulatory protein PHO23, ...
Authors:Patel, A.B, Radhakrishnan, I, He, Y.
Deposit date:2023-02-22
Release date:2023-07-12
Last modified:2025-05-14
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Cryo-EM structure of the Saccharomyces cerevisiae Rpd3L histone deacetylase complex.
Nat Commun, 14, 2023
8CG3
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BU of 8cg3 by Molmil
Structure of TDP-43 amyloid filament from type A FTLD-TDP (variant 1)
Descriptor: TAR DNA-binding protein 43
Authors:Arseni, D, Ryskeldi-Falcon, B.
Deposit date:2023-02-03
Release date:2023-08-02
Last modified:2023-08-30
Method:ELECTRON MICROSCOPY (2.39 Å)
Cite:TDP-43 forms amyloid filaments with a distinct fold in type A FTLD-TDP.
Nature, 620, 2023
1A9U
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BU of 1a9u by Molmil
THE COMPLEX STRUCTURE OF THE MAP KINASE P38/SB203580
Descriptor: 4-[5-(4-FLUORO-PHENYL)-2-(4-METHANESULFINYL-PHENYL)-3H-IMIDAZOL-4-YL]-PYRIDINE, MAP KINASE P38
Authors:Wang, Z, Canagarajah, B, Boehm, J.C, Kassis, S, Cobb, M.H, Young, P.R, Abdel-Meguid, S, Adams, J.L, Goldsmith, E.J.
Deposit date:1998-04-10
Release date:1999-04-20
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis of inhibitor selectivity in MAP kinases.
Structure, 6, 1998
7TDZ
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BU of 7tdz by Molmil
Cryo-EM model of protomer of the cytoplasmic ring of the nuclear pore complex from Xenopus laevis
Descriptor: Nuclear pore complex protein, Nuclear pore complex protein Nup85, Nuclear pore complex protein Nup96, ...
Authors:Fontana, P, Wu, H.
Deposit date:2022-01-03
Release date:2022-06-22
Last modified:2024-10-09
Method:ELECTRON MICROSCOPY (6.9 Å)
Cite:Structure of cytoplasmic ring of nuclear pore complex by integrative cryo-EM and AlphaFold.
Science, 376, 2022
6SFO
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BU of 6sfo by Molmil
MAPK14 with bound inhibitor SR-318
Descriptor: 5-azanyl-~{N}-[[4-(3-cyclohexylpropylcarbamoyl)phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide, GLYCEROL, Mitogen-activated protein kinase 14, ...
Authors:Schroeder, M, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2019-08-01
Release date:2019-09-11
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:MAPK14 with bound inhibitor SR-318
To Be Published
9D8P
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BU of 9d8p by Molmil
Focused map of Cryo-EM structure of Ubiquitin C-degron bound to KLHDC10-EloB/C
Descriptor: Elongin-B, Elongin-C, Kelch domain-containing protein 10, ...
Authors:Chittori, S, Scott, D.C, Schulman, B.A.
Deposit date:2024-08-19
Release date:2024-11-20
Last modified:2025-02-05
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structural basis for C-degron selectivity across KLHDCX family E3 ubiquitin ligases.
Nat Commun, 15, 2024
9DDE
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BU of 9dde by Molmil
ncPRC1RYBP bound to H2AK119Ub/H1.4 chromatosome
Descriptor: DNA (187-MER), E3 ubiquitin-protein ligase RING2, Histone H1.4, ...
Authors:Godinez-Lopez, V, Valencia-Sanchez, M.I, Armache, J.P, Armache, K.-J.
Deposit date:2024-08-28
Release date:2024-11-20
Last modified:2025-01-15
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Read-write mechanisms of H2A ubiquitination by Polycomb repressive complex 1.
Nature, 636, 2024
5VHF
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BU of 5vhf by Molmil
Conformational Landscape of the p28-Bound Human Proteasome Regulatory Particle
Descriptor: 26S proteasome complex subunit SEM1, 26S proteasome non-ATPase regulatory subunit 1, 26S proteasome non-ATPase regulatory subunit 10, ...
Authors:Lu, Y, Wu, J, Dong, Y, Chen, S, Sun, S, Ma, Y.B, Ouyang, Q, Finley, D, Kirschner, M.W, Mao, Y.
Deposit date:2017-04-13
Release date:2017-08-23
Last modified:2023-08-16
Method:ELECTRON MICROSCOPY (5.7 Å)
Cite:Conformational Landscape of the p28-Bound Human Proteasome Regulatory Particle.
Mol. Cell, 67, 2017
7UX2
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BU of 7ux2 by Molmil
cryo-EM structure of the Raptor-TFEB-Rag-Ragulator complex
Descriptor: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Cui, Z, Hurley, J.
Deposit date:2022-05-04
Release date:2022-11-30
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structure of the lysosomal mTORC1-TFEB-Rag-Ragulator megacomplex.
Nature, 614, 2023
3MHS
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BU of 3mhs by Molmil
Structure of the SAGA Ubp8/Sgf11/Sus1/Sgf73 DUB module bound to ubiquitin aldehyde
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, Protein SUS1, ...
Authors:Samara, N.L, Datta, A.B, Berndsen, C.E, Zhang, X, Yao, T, Cohen, R.E, Wolberger, C.
Deposit date:2010-04-08
Release date:2010-04-21
Last modified:2025-03-26
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Structural insights into the assembly and function of the SAGA deubiquitinating module.
Science, 328, 2010
6ANL
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BU of 6anl by Molmil
Structure-based Design, Synthesis, and Biological Evaluation of Imidazo[1,2-b]pyridazine-based p38 MAP Kinase Inhibitors
Descriptor: Mitogen-activated protein kinase 14, TAK-715
Authors:Snell, G.P, Okada, K, Bragstad, K, Sang, B.-C.
Deposit date:2017-08-14
Release date:2018-01-17
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-based design, synthesis, and biological evaluation of imidazo[1,2-b]pyridazine-based p38 MAP kinase inhibitors.
Bioorg. Med. Chem., 26, 2018
3MHH
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BU of 3mhh by Molmil
Structure of the SAGA Ubp8/Sgf11/Sus1/Sgf73 DUB module
Descriptor: Protein SUS1, SAGA-associated factor 11, SAGA-associated factor 73, ...
Authors:Samara, N.L, Datta, A.B, Berndsen, C.E, Zhang, X, Yao, T, Cohen, R.E, Wolberger, C.
Deposit date:2010-04-08
Release date:2010-04-21
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Structural insights into the assembly and function of the SAGA deubiquitinating module.
Science, 328, 2010
6GMR
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BU of 6gmr by Molmil
pVHL:EloB:EloC in complex with (4-(1H-pyrrol-1-yl)phenyl)methanol
Descriptor: (4-pyrrol-1-ylphenyl)methanol, Elongin-B, Elongin-C, ...
Authors:Van Molle, I, Lucas, X, Ciulli, A.
Deposit date:2018-05-28
Release date:2018-08-08
Last modified:2025-04-09
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Surface Probing by Fragment-Based Screening and Computational Methods Identifies Ligandable Pockets on the von Hippel-Lindau (VHL) E3 Ubiquitin Ligase.
J. Med. Chem., 61, 2018

238582

数据于2025-07-09公开中

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