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8DCP
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BU of 8dcp by Molmil
PI 3-kinase alpha with nanobody 3-126
Descriptor: Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Authors:Hart, J.R, Liu, X, Pan, C, Liang, A, Ueno, L, Xu, Y, Quezada, A, Zou, X, Yang, S, Zhou, Q, Schoonooghe, S, Hassanzadeh-Ghassabeh, G, Xia, T, Shui, W, Yang, D, Vogt, P.K, Wang, M.-W.
Deposit date:2022-06-17
Release date:2022-09-21
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (2.41 Å)
Cite:Nanobodies and chemical cross-links advance the structural and functional analysis of PI3K alpha.
Proc.Natl.Acad.Sci.USA, 119, 2022
8DD4
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BU of 8dd4 by Molmil
PI 3-kinase alpha with nanobody 3-142
Descriptor: Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Authors:Hart, J.R, Liu, X, Pan, C, Liang, A, Ueno, L, Xu, Y, Quezada, A, Zou, X, Yang, S, Zhou, Q, Schoonooghe, S, Hassanzadeh-Ghassabeh, G, Xia, T, Shui, W, Yang, D, Vogt, P.K, Wang, M.-W.
Deposit date:2022-06-17
Release date:2022-09-21
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Nanobodies and chemical cross-links advance the structural and functional analysis of PI3K alpha.
Proc.Natl.Acad.Sci.USA, 119, 2022
8DD8
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BU of 8dd8 by Molmil
PI 3-kinase alpha with nanobody 3-142, crosslinked with DSG
Descriptor: Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Authors:Hart, J.R, Liu, X, Pan, C, Liang, A, Ueno, L, Xu, Y, Quezada, A, Zou, X, Yang, S, Zhou, Q, Schoonooghe, S, Hassanzadeh-Ghassabeh, G, Xia, T, Shui, W, Yang, D, Vogt, P.K, Wang, M.-W.
Deposit date:2022-06-17
Release date:2022-09-21
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Nanobodies and chemical cross-links advance the structural and functional analysis of PI3K alpha.
Proc.Natl.Acad.Sci.USA, 119, 2022
8DCX
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BU of 8dcx by Molmil
PI 3-kinase alpha with nanobody 3-159
Descriptor: Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Authors:Hart, J.R, Liu, X, Pan, C, Liang, A, Ueno, L, Xu, Y, Quezada, A, Zou, X, Yang, S, Zhou, Q, Schoonooghe, S, Hassanzadeh-Ghassabeh, G, Xia, T, Shui, W, Yang, D, Vogt, P.K, Wang, M.-W.
Deposit date:2022-06-17
Release date:2022-09-21
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Nanobodies and chemical cross-links advance the structural and functional analysis of PI3K alpha.
Proc.Natl.Acad.Sci.USA, 119, 2022
8DHB
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BU of 8dhb by Molmil
Active FLCN GAP complex
Descriptor: BERYLLIUM TRIFLUORIDE ION, Folliculin, Folliculin-interacting protein 2, ...
Authors:Jansen, R.M, Hurley, J.H.
Deposit date:2022-06-25
Release date:2022-09-28
Method:ELECTRON MICROSCOPY (3.53 Å)
Cite:Structural basis for FLCN RagC GAP activation in MiT-TFE substrate-selective mTORC1 regulation.
Sci Adv, 8, 2022
3S3I
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BU of 3s3i by Molmil
p38 kinase crystal structure in complex with small molecule inhibitor
Descriptor: 3-(3-tert-butyl[1,2,4]triazolo[4,3-a]pyridin-7-yl)-N-cyclopropyl-4-methylbenzamide, Mitogen-activated protein kinase 14
Authors:Segarra, V, Aiguade, J, Roca, R, Fisher, M, Lamers, M.
Deposit date:2011-05-18
Release date:2012-04-04
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Novel triazolopyridylbenzamides as potent and selective p38 alpha inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
8JE1
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BU of 8je1 by Molmil
An asymmetry dimer of the Cul2-Rbx1-EloBC-FEM1B ubiquitin ligase complexed with BEX2
Descriptor: Cullin-2, E3 ubiquitin-protein ligase RBX1, Elongin-B, ...
Authors:Dai, Z, Liang, L, Yin, Y.X.
Deposit date:2023-05-15
Release date:2024-02-28
Last modified:2024-04-03
Method:ELECTRON MICROSCOPY (3.95 Å)
Cite:Structural insights into the ubiquitylation strategy of the oligomeric CRL2 FEM1B E3 ubiquitin ligase.
Embo J., 43, 2024
3U8W
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BU of 3u8w by Molmil
Crystal Structure of p38a Mitogen-Activated Protein Kinase in Complex with a Triazolopyridazinone inhibitor
Descriptor: 3-[3-(2-chloro-6-fluorophenyl)-5-ethyl-6-oxo-5,6-dihydro[1,2,4]triazolo[4,3-b]pyridazin-7-yl]-N-cyclopropyl-4-methylbenzamide, Mitogen-activated protein kinase 14
Authors:Mohr, C, Jordan, S.
Deposit date:2011-10-17
Release date:2012-08-29
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Identification of triazolopyridazinones as potent p38alpha inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
6WJD
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BU of 6wjd by Molmil
SA-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:2020-04-13
Release date:2020-08-05
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (4.8 Å)
Cite:Cryo-EM Reveals Unanchored M1-Ubiquitin Chain Binding at hRpn11 of the 26S Proteasome.
Structure, 28, 2020
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
2CO0
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BU of 2co0 by Molmil
WDR5 and unmodified Histone H3 complex at 2.25 Angstrom
Descriptor: HISTONE H3 DIMETHYL-LYSINE 4, WD-REPEAT PROTEIN 5
Authors:Ruthenburg, A.J, Wang, W, Graybosch, D.M, Li, H, Allis, C.D, Patel, D.J, Verdine, G.L.
Deposit date:2006-05-25
Release date:2006-07-03
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Histone H3 Recognition and Presentation by the Wdr5 Module of the Mll1 Complex
Nat.Struct.Mol.Biol., 13, 2006
8IJ1
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BU of 8ij1 by Molmil
Protomer 1 and 2 of the asymmetry trimer of the Cul2-Rbx1-EloBC-FEM1B ubiquitin ligase complex
Descriptor: Cullin-2, E3 ubiquitin-protein ligase RBX1, Elongin-B, ...
Authors:Dai, Z, Liang, L, Yin, Y.X.
Deposit date:2023-02-24
Release date:2024-02-28
Last modified:2024-04-03
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Structural insights into the ubiquitylation strategy of the oligomeric CRL2 FEM1B E3 ubiquitin ligase.
Embo J., 43, 2024
5WVK
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BU of 5wvk by Molmil
Yeast proteasome-ADP-AlFx
Descriptor: 26S protease regulatory subunit 4 homolog, 26S protease regulatory subunit 6A, 26S protease regulatory subunit 6B homolog, ...
Authors:Ding, Z, Cong, Y.
Deposit date:2016-12-25
Release date:2017-03-22
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:High-resolution cryo-EM structure of the proteasome in complex with ADP-AlFx
Cell Res., 27, 2017
3UVP
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BU of 3uvp by Molmil
Human p38 MAP Kinase in Complex with a Benzamide Substituted Benzosuberone
Descriptor: Mitogen-activated protein kinase 14, N-{2-fluoro-5-[(5-oxo-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)amino]phenyl}benzamide, octyl beta-D-glucopyranoside
Authors:Mayer-Wrangowski, S.C, Richters, A, Gruetter, C, Rauh, D.
Deposit date:2011-11-30
Release date:2012-11-07
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Targeting the Hinge Glycine Flip and the Activation Loop: Novel Approach to Potent p38 alpha Inhibitors.
J.Med.Chem., 55, 2012
3UVR
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BU of 3uvr by Molmil
Human p38 MAP Kinase in Complex with KM064
Descriptor: 1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-{3-[(5-oxo-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)amino]phenyl}urea, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside
Authors:Richters, A, Mayer-Wrangowski, S.C, Gruetter, C, Rauh, D.
Deposit date:2011-11-30
Release date:2012-12-19
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:

7Y5V
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BU of 7y5v by Molmil
Cryo-EM structure of the dimeric human CAF1LC-H3-H4 complex
Descriptor: Chromatin assembly factor 1 subunit A, Chromatin assembly factor 1 subunit B, Histone H3.1, ...
Authors:Liu, C.P, Yu, C, Yu, Z.Y, Xu, R.M.
Deposit date:2022-06-17
Release date:2023-08-16
Last modified:2023-09-06
Method:ELECTRON MICROSCOPY (6.1 Å)
Cite:Structural insights into histone binding and nucleosome assembly by chromatin assembly factor-1.
Science, 381, 2023
7Y5U
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BU of 7y5u by Molmil
Cryo-EM structure of the monomeric human CAF1LC-H3-H4 complex
Descriptor: Chromatin assembly factor 1 subunit A, Chromatin assembly factor 1 subunit B, Histone H3.1, ...
Authors:Liu, C.P, Yu, Z.Y, Yu, C, Xu, R.M.
Deposit date:2022-06-17
Release date:2023-08-16
Last modified:2023-09-06
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Structural insights into histone binding and nucleosome assembly by chromatin assembly factor-1.
Science, 381, 2023
3NBY
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BU of 3nby by Molmil
Crystal structure of the PKI NES-CRM1-RanGTP nuclear export complex
Descriptor: Exportin-1, GTP-binding nuclear protein Ran, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Guttler, T, Madl, T, Neumann, P, Deichsel, D, Corsini, L, Monecke, T, Ficner, R, Sattler, M, Gorlich, D.
Deposit date:2010-06-04
Release date:2010-10-27
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.42 Å)
Cite:NES consensus redefined by structures of PKI-type and Rev-type nuclear export signals bound to CRM1.
Nat.Struct.Mol.Biol., 17, 2010
1UA2
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BU of 1ua2 by Molmil
Crystal Structure of Human CDK7
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Cell division protein kinase 7
Authors:Lolli, G, Lowe, E.D, Brown, N.R, Johnson, L.N.
Deposit date:2004-08-11
Release date:2004-12-07
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.02 Å)
Cite:The Crystal Structure of Human CDK7 and Its Protein Recognition Properties
Structure, 12, 2004
7N5C
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BU of 7n5c by Molmil
6218 TCR in complex with H2Db PA with an engineered TCR-pMHC disulfide bond
Descriptor: Beta-2-microglobulin, Fusion protein of T cell receptor alpha variable 21-DV12 with T-cell receptor, sp3.4 alpha chain, ...
Authors:Szeto, C, Gras, S.
Deposit date:2021-06-05
Release date:2022-07-20
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Covalent TCR-peptide-MHC interactions induce T cell activation and redirect T cell fate in the thymus.
Nat Commun, 13, 2022
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
3NBZ
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BU of 3nbz by Molmil
Crystal structure of the HIV-1 Rev NES-CRM1-RanGTP nuclear export complex (crystal I)
Descriptor: Exportin-1, GTP-binding nuclear protein Ran, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Guttler, T, Madl, T, Neumann, P, Deichsel, D, Corsini, L, Monecke, T, Ficner, R, Sattler, M, Gorlich, D.
Deposit date:2010-06-04
Release date:2010-10-27
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:NES consensus redefined by structures of PKI-type and Rev-type nuclear export signals bound to CRM1.
Nat.Struct.Mol.Biol., 17, 2010
3C5U
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BU of 3c5u by Molmil
P38 ALPHA map kinase complexed with a benzothiazole based inhibitor
Descriptor: 6-[4-(2-fluorophenyl)-1,3-oxazol-5-yl]-N-(1-methylethyl)-1,3-benzothiazol-2-amine, Mitogen-activated protein kinase 14
Authors:Sack, J.S.
Deposit date:2008-02-01
Release date:2008-03-25
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Benzothiazole based inhibitors of p38alpha MAP kinase.
Bioorg.Med.Chem.Lett., 18, 2008
4XFV
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BU of 4xfv by Molmil
Crystal Structure of Elp2
Descriptor: Elongator complex protein 2
Authors:Lin, Z, Dong, C, Long, J, Shen, Y.
Deposit date:2014-12-29
Release date:2015-05-20
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:The elp2 subunit is essential for elongator complex assembly and functional regulation
Structure, 23, 2015
8H6T
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BU of 8h6t by Molmil
Complex structure of CDK2/Cyclin E1 and a potent, selective small molecule inhibitor
Descriptor: (1R,3S)-3-{3-[(pyridin-2-yl)amino]-1H-pyrazol-5-yl}cyclopentyl propan-2-ylcarbamate, Cyclin-dependent kinase 2, G1/S-specific cyclin-E1
Authors:Ren, X.
Deposit date:2022-10-18
Release date:2023-02-22
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:Accelerated Discovery of Macrocyclic CDK2 Inhibitor QR-6401 by Generative Models and Structure-Based Drug Design.
Acs Med.Chem.Lett., 14, 2023

223532

数据于2024-08-07公开中

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