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5JQ8
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BU of 5jq8 by Molmil
Crystal structure of CDK2 in complex with inhibitor ICEC0943
Descriptor: (3S,4S)-4-[[[7-[(phenylmethyl)amino]-3-propan-2-yl-pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol, Cyclin-dependent kinase 2
Authors:Hazel, P, Freemont, P.S.
Deposit date:2016-05-04
Release date:2017-02-08
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Inhibitor Selectivity for Cyclin-Dependent Kinase 7: A Structural, Thermodynamic, and Modelling Study.
ChemMedChem, 12, 2017
8HZS
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BU of 8hzs by Molmil
Formed alpha-synuclein fibrils after incubation with heparin for 3 days (Hep-remod-3)
Descriptor: Alpha-synuclein
Authors:Tao, Y.Q, Zhao, Q.Y, Liu, C, Li, D.
Deposit date:2023-01-09
Release date:2024-01-10
Last modified:2025-06-18
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Formed alpha-synuclein fibrils after incubation with heparin for 3 days (Hep-remod-3)
To Be Published
5K4J
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BU of 5k4j by Molmil
Crystal Structure of CDK2 in complex with compound 22
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, Cyclin-dependent kinase 2
Authors:Yin, J, Wang, W.
Deposit date:2016-05-20
Release date:2016-07-06
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Discovery of (S)-1-(1-(4-Chloro-3-fluorophenyl)-2-hydroxyethyl)-4-(2-((1-methyl-1H-pyrazol-5-yl)amino)pyrimidin-4-yl)pyridin-2(1H)-one (GDC-0994), an Extracellular Signal-Regulated Kinase 1/2 (ERK1/2) Inhibitor in Early Clinical Development.
J.Med.Chem., 59, 2016
7UPN
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BU of 7upn by Molmil
Maedi visna virus Vif in complex with CypA and E3 ubiquitin ligase
Descriptor: Elongin-B, Elongin-C, Peptidyl-prolyl cis-trans isomerase A, ...
Authors:Hu, Y, Xiong, Y.
Deposit date:2022-04-16
Release date:2023-01-25
Last modified:2025-05-28
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structural basis for recruitment of host CypA and E3 ubiquitin ligase by maedi-visna virus Vif.
Sci Adv, 9, 2023
7TAN
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BU of 7tan by Molmil
Structure of VRK1 C-terminal tail bound to nucleosome core particle
Descriptor: Histone H2A type 1, Histone H2B type 1-C/E/F/G/I, Histone H3.2, ...
Authors:Spangler, C.J, Budziszewski, G.R, McGinty, R.K.
Deposit date:2021-12-21
Release date:2022-05-04
Last modified:2024-02-28
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Multivalent DNA and nucleosome acidic patch interactions specify VRK1 mitotic localization and activity.
Nucleic Acids Res., 50, 2022
9C62
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BU of 9c62 by Molmil
P400 subcomplex of the native human TIP60 complex
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Actin, cytoplasmic 1, ...
Authors:Yang, Z, Mameri, A, Florez Ariza, A.J, Cote, J, Nogales, E.
Deposit date:2024-06-07
Release date:2024-08-21
Last modified:2024-09-11
Method:ELECTRON MICROSCOPY (5.28 Å)
Cite:Structural insights into the human NuA4/TIP60 acetyltransferase and chromatin remodeling complex.
Science, 385, 2024
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:2025-04-09
Method:ELECTRON MICROSCOPY (4.35 Å)
Cite:An atomic structure of the human 26S proteasome.
Nat. Struct. Mol. Biol., 23, 2016
5GJR
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BU of 5gjr by Molmil
An atomic structure of the human 26S proteasome
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:2016-09-07
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:An atomic structure of the human 26S proteasome.
Nat. Struct. Mol. Biol., 23, 2016
7XJG
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BU of 7xjg by Molmil
Cryo-EM structure of E.coli retron-Ec86 in complex with its effector at 2.5 angstrom
Descriptor: DNA (105-MER), MAGNESIUM ION, RNA (14-MER), ...
Authors:Wang, Y.J, Guan, Z.Y, Zou, T.T.
Deposit date:2022-04-17
Release date:2022-09-14
Last modified:2025-06-25
Method:ELECTRON MICROSCOPY (2.51 Å)
Cite:Cryo-EM structures of Escherichia coli Ec86 retron complexes reveal architecture and defence mechanism.
Nat Microbiol, 7, 2022
5D1B
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BU of 5d1b by Molmil
Crystal structure of G117E HDAC8 in complex with TSA
Descriptor: Histone deacetylase 8, POTASSIUM ION, TRICHOSTATIN A, ...
Authors:Decroos, C, Christianson, N.H, Gullett, L.E, Bowman, C.M, Christianson, K.E, Deardorff, M.A, Christianson, D.W.
Deposit date:2015-08-04
Release date:2015-10-21
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Biochemical and Structural Characterization of HDAC8 Mutants Associated with Cornelia de Lange Syndrome Spectrum Disorders.
Biochemistry, 54, 2015
5D1D
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BU of 5d1d by Molmil
Crystal structure of P91L-Y306F HDAC8 in complex with a tetrapeptide substrate
Descriptor: HDAC8 Fluor de Lys tetrapeptide substrate, Histone deacetylase 8, POTASSIUM ION, ...
Authors:Decroos, C, Christianson, N.H, Gullett, L.E, Bowman, C.M, Christianson, K.E, Deardorff, M.A, Christianson, D.W.
Deposit date:2015-08-04
Release date:2015-10-21
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.011 Å)
Cite:Biochemical and Structural Characterization of HDAC8 Mutants Associated with Cornelia de Lange Syndrome Spectrum Disorders.
Biochemistry, 54, 2015
5D1J
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BU of 5d1j by Molmil
CRYSTAL STRUCTURE OF CYCLIN-DEPENDENT KINASE 2 (CDK2-WT) COMPLEX WITH N-[5-[[[5-(1,1-DIMETHYLETHYL)-2-OXAZOLYL] METHYL]THIO]-2-THIAZOLYL]-4-PIPERIDINECARBOXAMIDE (BMS-387032)
Descriptor: Cyclin-dependent kinase 2, N-(5-{[(5-tert-butyl-1,3-oxazol-2-yl)methyl]sulfanyl}-1,3-thiazol-2-yl)piperidine-4-carboxamide
Authors:Sack, J.S.
Deposit date:2015-08-04
Release date:2015-08-12
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:N-(Cycloalkylamino)Acyl-2-Aminothiazole Inhibitors Of Cyclin-Dependent Kinase 2. N-[5-[[[5-(1,1-Dimethylethyl) -2-Oxazolyl]Methyl]Thio]-2-Thiazolyl]-4-Piperidinecarboxamide (Bms-387032), A Highly Efficacious And Selective Antitumor Agent
J.Med.Chem., 47, 2004
5DCG
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BU of 5dcg by Molmil
Crystal Structure of WT Apo Human Glutathione Transferase Pi
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, Glutathione S-transferase P, ...
Authors:Parker, L.J, Parker, M.W, Morton, C.J.
Deposit date:2015-08-24
Release date:2016-12-07
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Visualisation of Organoarsenic Human Glutathione Transferase P1-1 Complexes: Metabolism of Arsenic-based Therapeutics
To Be Published
7VVZ
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BU of 7vvz by Molmil
NuA4 bound to the nucleosome
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Actin, Actin-related protein 4, ...
Authors:Qu, K, Chen, Z.
Deposit date:2021-11-09
Release date:2022-08-10
Last modified:2024-11-20
Method:ELECTRON MICROSCOPY (8.8 Å)
Cite:Structure of the NuA4 acetyltransferase complex bound to the nucleosome.
Nature, 610, 2022
8Q7E
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BU of 8q7e by Molmil
Structure of CUL9-RBX1 ubiquitin E3 ligase complex - hexameric assembly
Descriptor: Cullin-9, E3 ubiquitin-protein ligase RBX1
Authors:Hopf, L.V.M, Horn-Ghetko, D, Schulman, B.A.
Deposit date:2023-08-16
Release date:2024-04-17
Last modified:2024-07-31
Method:ELECTRON MICROSCOPY (4.4 Å)
Cite:Noncanonical assembly, neddylation and chimeric cullin-RING/RBR ubiquitylation by the 1.8 MDa CUL9 E3 ligase complex.
Nat.Struct.Mol.Biol., 31, 2024
6RNY
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BU of 6rny by Molmil
PFV intasome - nucleosome strand transfer complex
Descriptor: DNA (108-MER), DNA (128-MER), DNA (33-MER), ...
Authors:Pye, V.E, Renault, L, Maskell, D.P, Cherepanov, P, Costa, A.
Deposit date:2019-05-09
Release date:2019-09-25
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Retroviral integration into nucleosomes through DNA looping and sliding along the histone octamer.
Nat Commun, 10, 2019
6HTS
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BU of 6hts by Molmil
Cryo-EM structure of the human INO80 complex bound to nucleosome
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Actin-related protein 5, Chromatin-remodeling ATPase INO80, ...
Authors:Ayala, R, Willhoft, O, Aramayo, R.J, Wilkinson, M, McCormack, E.A, Ocloo, L, Wigley, D.B, Zhang, X.
Deposit date:2018-10-04
Release date:2018-11-07
Last modified:2025-07-09
Method:ELECTRON MICROSCOPY (4.8 Å)
Cite:Structure and regulation of the human INO80-nucleosome complex.
Nature, 556, 2018
3DS6
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BU of 3ds6 by Molmil
P38 complex with a phthalazine inhibitor
Descriptor: Mitogen-activated protein kinase 14, N-cyclopropyl-4-methyl-3-[1-(2-methylphenyl)phthalazin-6-yl]benzamide
Authors:Herberich, B, Syed, R, Li, V, Grosfeld, D.
Deposit date:2008-07-11
Release date:2008-10-07
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Discovery of highly selective and potent p38 inhibitors based on a phthalazine scaffold.
J.Med.Chem., 51, 2008
8UXQ
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BU of 8uxq by Molmil
Structure of Heterochromatin Protein 1 (HP1) alpha in complex with an H2A.Z nucleosome
Descriptor: Chromobox protein homolog 5, DNA Widom601 (208bp) strand1, DNA Widom601 (208bp) strand2, ...
Authors:Tan, D, Sokolova, V.
Deposit date:2023-11-09
Release date:2024-09-25
Last modified:2025-04-09
Method:ELECTRON MICROSCOPY (6.3 Å)
Cite:Structural mechanism of HP1⍺-dependent transcriptional repression and chromatin compaction.
Structure, 32, 2024
8H1T
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BU of 8h1t by Molmil
Cryo-EM structure of BAP1-ASXL1 bound to chromatosome
Descriptor: DNA (187-MER), Histone H1.4, Histone H2A type 1-D, ...
Authors:Ge, W, Yu, C, Xu, R.M.
Deposit date:2022-10-04
Release date:2023-02-01
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Basis of the H2AK119 specificity of the Polycomb repressive deubiquitinase.
Nature, 616, 2023
7B5L
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BU of 7b5l by Molmil
Ubiquitin ligation to F-box protein substrates by SCF-RBR E3-E3 super-assembly: NEDD8-CUL1-RBX1-SKP1-SKP2-CKSHS1-Cyclin A-CDK2-p27-UBE2L3~Ub~ARIH1. Transition State 1
Descriptor: 5-azanylpentan-2-one, Cullin-1, Cyclin-A2, ...
Authors:Horn-Ghetko, D, Prabu, J.R, Schulman, B.A.
Deposit date:2020-12-04
Release date:2021-02-10
Last modified:2025-07-02
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Ubiquitin ligation to F-box protein targets by SCF-RBR E3-E3 super-assembly.
Nature, 590, 2021
2EXU
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BU of 2exu by Molmil
Crystal Structure of Saccharomyces cerevisiae transcription elongation factors Spt4-Spt5NGN domain
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, ETHANOL, Transcription initiation protein SPT4/SPT5, ...
Authors:Xu, F, Guo, M, Fang, P, Teng, M, Niu, L.
Deposit date:2005-11-08
Release date:2006-11-08
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Crystal Structure of Saccharomyces cerevisiae transcription elongation factors Spt4-Spt5NGN domain
To be published
8JRT
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BU of 8jrt by Molmil
Cryo-EM structure of human 26S proteasomal RP subcomplex (Ea state) bound to K11/K48-branched ubiquitin (Ub) chain composed of three Ub.
Descriptor: 26S protease regulatory subunit 10B, 26S protease regulatory subunit 4, 26S protease regulatory subunit 6A, ...
Authors:Hsu, S.T.D, Draczkowski, P, Wang, Y.S.
Deposit date:2023-06-17
Release date:2024-12-18
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Cryo-EM structure of human 26S proteasomal RP subcomplex bound with branched Ub chain.
To Be Published
8JRI
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BU of 8jri by Molmil
Cryo-EM structure of human 26S proteasomal RP subcomplex (Ea state) without any bound substrate.
Descriptor: 26S protease regulatory subunit 10B, 26S protease regulatory subunit 4, 26S protease regulatory subunit 6A, ...
Authors:Hsu, S.T.D, Draczkowski, P, Wang, Y.S.
Deposit date:2023-06-16
Release date:2024-12-18
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Cryo-EM structure of human 26S proteasomal RP subcomplex bound with branched Ub chain.
To Be Published
8JTI
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BU of 8jti by Molmil
Cryo-EM structure of human 26S RP (Eb state) bound to K11/K48-branched ubiquitin (Ub) chain composed of four Ub.
Descriptor: 26S protease regulatory subunit 10B, 26S protease regulatory subunit 4, 26S protease regulatory subunit 6A, ...
Authors:Hsu, S.T.D, Draczkowski, P, Wang, Y.S.
Deposit date:2023-06-21
Release date:2024-12-25
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Cryo-EM structure of human 26S proteasomal RP subcomplex bound with branched Ub chain.
To Be Published

238582

数据于2025-07-09公开中

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