6OPH
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![BU of 6oph by Molmil](/molmil-images/mine/6oph) | 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
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8SMW
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![BU of 8smw by Molmil](/molmil-images/mine/8smw) | Cryo-EM structure of the human nucleosome core particle in complex with RNF168 and UbcH5c~Ub (UbcH5c chemically conjugated to histone H2A. No density for Ub.) (class 1) | Descriptor: | DNA (147-MER), E3 ubiquitin-protein ligase RNF168, Histone H2A type 1-B/E, ... | Authors: | Hu, Q, Botuyan, M.V, Zhao, D, Cui, G, Mer, G. | Deposit date: | 2023-04-26 | Release date: | 2024-01-17 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Mechanisms of RNF168 nucleosome recognition and ubiquitylation. Mol.Cell, 84, 2024
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8SMX
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![BU of 8smx by Molmil](/molmil-images/mine/8smx) | Cryo-EM structure of the human nucleosome core particle in complex with RNF168 and UbcH5c~Ub (UbcH5c chemically conjugated to histone H2A. No density for Ub.) (class 2) | Descriptor: | DNA (147-MER), E3 ubiquitin-protein ligase RNF168, Histone H2A type 1-B/E, ... | Authors: | Hu, Q, Botuyan, M.V, Zhao, D, Cui, G, Mer, G. | Deposit date: | 2023-04-26 | Release date: | 2024-01-17 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Mechanisms of RNF168 nucleosome recognition and ubiquitylation. Mol.Cell, 84, 2024
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8SMY
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![BU of 8smy by Molmil](/molmil-images/mine/8smy) | Cryo-EM structure of the human nucleosome core particle in complex with RNF168 and UbcH5c~Ub (UbcH5c chemically conjugated to histone H2A. No density for Ub.) (class 3) | Descriptor: | DNA (147-MER), E3 ubiquitin-protein ligase RNF168, Histone H2A type 1-B/E, ... | Authors: | Hu, Q, Botuyan, M.V, Zhao, D, Cui, G, Mer, G. | Deposit date: | 2023-04-26 | Release date: | 2024-01-17 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Mechanisms of RNF168 nucleosome recognition and ubiquitylation. Mol.Cell, 84, 2024
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8SN2
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![BU of 8sn2 by Molmil](/molmil-images/mine/8sn2) | Cryo-EM structure of the human nucleosome core particle in complex with RNF168 and UbcH5c (UbcH5c chemically conjugated to histone H2A) | Descriptor: | DNA (147-MER), E3 ubiquitin-protein ligase RNF168, Histone H2A type 1-B/E, ... | Authors: | Hu, Q, Botuyan, M.V, Zhao, D, Cui, G, Mer, G. | Deposit date: | 2023-04-26 | Release date: | 2024-01-17 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Mechanisms of RNF168 nucleosome recognition and ubiquitylation. Mol.Cell, 84, 2024
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8SMZ
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![BU of 8smz by Molmil](/molmil-images/mine/8smz) | Cryo-EM structure of the human nucleosome core particle in complex with RNF168 and UbcH5c~Ub (UbcH5c chemically conjugated to histone H2A. No density for Ub.) (Class 4) | Descriptor: | DNA (147-MER), E3 ubiquitin-protein ligase RNF168, Histone H2A type 1-B/E, ... | Authors: | Hu, Q, Botuyan, M.V, Zhao, D, Cui, G, Mer, G. | Deposit date: | 2023-04-26 | Release date: | 2024-01-17 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Mechanisms of RNF168 nucleosome recognition and ubiquitylation. Mol.Cell, 84, 2024
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8SN0
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![BU of 8sn0 by Molmil](/molmil-images/mine/8sn0) | Cryo-EM structure of the human nucleosome core particle in complex with RNF168 and UbcH5c~Ub (UbcH5c chemically conjugated to histone H2A. No density for Ub.) (class 5) | Descriptor: | DNA (147-MER), E3 ubiquitin-protein ligase RNF168, Histone H2A type 1-B/E, ... | Authors: | Hu, Q, Botuyan, M.V, Zhao, D, Cui, G, Mer, G. | Deposit date: | 2023-04-26 | Release date: | 2024-01-17 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Mechanisms of RNF168 nucleosome recognition and ubiquitylation. Mol.Cell, 84, 2024
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8SN1
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![BU of 8sn1 by Molmil](/molmil-images/mine/8sn1) | Cryo-EM structure of the human nucleosome core particle in complex with RNF168 and UbcH5c~Ub (UbcH5c chemically conjugated to histone H2A. No density for Ub.) (class 6) | Descriptor: | DNA (147-MER), E3 ubiquitin-protein ligase RNF168, Histone H2A type 1-B/E, ... | Authors: | Hu, Q, Botuyan, M.V, Zhao, D, Cui, G, Mer, G. | Deposit date: | 2023-04-26 | Release date: | 2024-01-17 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Mechanisms of RNF168 nucleosome recognition and ubiquitylation. Mol.Cell, 84, 2024
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6OPK
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![BU of 6opk by Molmil](/molmil-images/mine/6opk) | 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
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1ETX
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![BU of 1etx by Molmil](/molmil-images/mine/1etx) | |
1ETK
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![BU of 1etk by Molmil](/molmil-images/mine/1etk) | |
1ETY
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![BU of 1ety by Molmil](/molmil-images/mine/1ety) | |
6ZH2
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![BU of 6zh2 by Molmil](/molmil-images/mine/6zh2) | Cryo-EM structure of DNA-PKcs (State 1) | Descriptor: | DNA-dependent protein kinase catalytic subunit,DNA-dependent protein kinase catalytic subunit,DNA-dependent protein kinase catalytic subunit,DNA-dependent protein kinase catalytic subunit,DNA-dependent protein kinase catalytic subunit,DNA-dependent protein kinase catalytic subunit,DNA-dependent protein kinase catalytic subunit,DNA-dependent protein kinase catalytic subunit,DNA-PKcs | Authors: | Chaplin, A.K, Hardwick, S.W, Chirgadze, D.Y, Blundell, T.L. | Deposit date: | 2020-06-20 | Release date: | 2020-10-21 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (3.92 Å) | Cite: | Dimers of DNA-PK create a stage for DNA double-strand break repair. Nat.Struct.Mol.Biol., 28, 2021
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6UXV
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![BU of 6uxv by Molmil](/molmil-images/mine/6uxv) | SWI/SNF Body Module | Descriptor: | SWI/SNF chromatin-remodeling complex subunit SNF5, SWI/SNF chromatin-remodeling complex subunit SWI1, SWI/SNF complex subunit SWI3, ... | Authors: | He, Y, Han, Y. | Deposit date: | 2019-11-08 | Release date: | 2020-03-18 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (4.7 Å) | Cite: | Cryo-EM structure of SWI/SNF complex bound to a nucleosome. Nature, 579, 2020
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1ETQ
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![BU of 1etq by Molmil](/molmil-images/mine/1etq) | |
1YVL
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![BU of 1yvl by Molmil](/molmil-images/mine/1yvl) | Structure of Unphosphorylated STAT1 | Descriptor: | 5-residue peptide, GOLD ION, Signal transducer and activator of transcription 1-alpha/beta | Authors: | Mao, X, Ren, Z, Parker, G.N, Sondermann, H, Pastorello, M.A, Wang, W, McMurray, J.S, Demeler, B, Darnell Jr, J.E, Chen, X. | Deposit date: | 2005-02-16 | Release date: | 2005-03-22 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural bases of unphosphorylated STAT1 association and receptor binding. Mol.Cell, 17, 2005
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1ETO
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![BU of 1eto by Molmil](/molmil-images/mine/1eto) | |
8CH7
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![BU of 8ch7 by Molmil](/molmil-images/mine/8ch7) | RDC-refined Interleukin-4 (wild type) pH 5.6 | Descriptor: | Interleukin-4 | Authors: | Vaz, D.C, Rodrigues, J.R, Loureiro-Ferreira, N, Mueller, T, Sebald, W, Redfield, C, Brito, R.M.M. | Deposit date: | 2023-02-07 | Release date: | 2023-10-18 | Last modified: | 2024-01-17 | Method: | SOLUTION NMR | Cite: | Lessons on protein structure from interleukin-4: All disulfides are not created equal. Proteins, 92, 2024
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8CGF
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![BU of 8cgf by Molmil](/molmil-images/mine/8cgf) | Interleukin-4 (wild type) pH 2.4 | Descriptor: | Interleukin-4 | Authors: | Vaz, D.C, Rodrigues, J.R, Loureiro-Ferreira, N, Mueller, T, Sebald, W, Redfield, C, Brito, R.M.M. | Deposit date: | 2023-02-04 | Release date: | 2023-10-18 | Last modified: | 2024-01-17 | Method: | SOLUTION NMR | Cite: | Lessons on protein structure from interleukin-4: All disulfides are not created equal. Proteins, 92, 2024
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4W5V
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![BU of 4w5v by Molmil](/molmil-images/mine/4w5v) | Crystal structure of Human SUMO E2-conjugating enzyme (Ubc9) in complex with E1-activating enzyme (Uba2) ubiquitin fold domain (Ufd) | Descriptor: | FORMIC ACID, GLYCEROL, POTASSIUM ION, ... | Authors: | Boucher, L.E, Reiter, K.H, Matunis, M.J, Bosch, J. | Deposit date: | 2014-08-19 | Release date: | 2015-09-09 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of human SUMO complex To Be Published
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5K4I
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![BU of 5k4i by Molmil](/molmil-images/mine/5k4i) | Crystal Structure of ERK2 in complex with compound 22 | Descriptor: | 1,2-ETHANEDIOL, 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: | Yin, J, Wang, W. | Deposit date: | 2016-05-20 | Release date: | 2016-07-06 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.76 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
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5KE0
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![BU of 5ke0 by Molmil](/molmil-images/mine/5ke0) | Discovery of 1-1H-Pyrazolo 4,3-c pyridine-6-yl urea Inhibitors of Extracellular Signal Regulated Kinase ERK for the Treatment of Cancers | Descriptor: | 1-[3-(2-methylpyridin-4-yl)-1~{H}-pyrazolo[4,3-c]pyridin-6-yl]-3-(phenylmethyl)urea, Mitogen-activated protein kinase 1, SULFATE ION | Authors: | Hruza, A, Lim, J. | Deposit date: | 2016-06-09 | Release date: | 2016-07-06 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Discovery of 1-(1H-Pyrazolo[4,3-c]pyridin-6-yl)urea Inhibitors of Extracellular Signal-Regulated Kinase (ERK) for the Treatment of Cancers. J.Med.Chem., 59, 2016
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8UPF
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![BU of 8upf by Molmil](/molmil-images/mine/8upf) | Cryo-EM structure of the human nucleosome core particle in complex with RNF168-UbcH5c | Descriptor: | DNA (147-MER), E3 ubiquitin-protein ligase RNF168, Histone H2A type 1-B/E, ... | Authors: | Hu, Q, Botuyan, M.V, Zhao, D, Cui, G, Mer, G. | Deposit date: | 2023-10-22 | Release date: | 2024-01-17 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Mechanisms of RNF168 nucleosome recognition and ubiquitylation. Mol.Cell, 84, 2024
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8FVJ
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![BU of 8fvj by Molmil](/molmil-images/mine/8fvj) | Dimeric form of HIV-1 Vif in complex with human CBF-beta, ELOB, ELOC, and CUL5 | Descriptor: | Core-binding factor subunit beta, Cullin-5, Elongin-B, ... | Authors: | Ito, F, Alvarez-Cabrera, A.L, Zhou, Z.H, Chen, X.S. | Deposit date: | 2023-01-19 | Release date: | 2023-09-06 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (3.54 Å) | Cite: | Structural basis of HIV-1 Vif-mediated E3 ligase targeting of host APOBEC3H. Nat Commun, 14, 2023
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7OTN
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![BU of 7otn by Molmil](/molmil-images/mine/7otn) | HIV-1 REVERSE TRANSCRIPTASE COMPLEX WITH DNA AND INHIBITOR RMC-247 | Descriptor: | (S)-2-((2-(6-amino-9H-purin-9-yl)ethyl)amino)-3-phosphonopropanoic acid, DNA (5'-D(*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*(DDG))-3'), DNA (5'-D(P*GP*GP*TP*CP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*G)-3'), ... | Authors: | Martinez, S.E, Singh, A.K, Gu, W, Das, K. | Deposit date: | 2021-06-10 | Release date: | 2021-12-08 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Exploring the dNTP -binding site of HIV-1 reverse transcriptase for inhibitor design. Eur.J.Med.Chem., 225, 2021
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