1R7G
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![BU of 1r7g by Molmil](/molmil-images/mine/1r7g) | NMR structure of the membrane anchor domain (1-31) of the nonstructural protein 5A (NS5A) of hepatitis C virus (Minimized average structure, Sample in 100mM DPC) | Descriptor: | Genome polyprotein | Authors: | Penin, F, Brass, V, Appel, N, Ramboarina, S, Montserret, R, Ficheux, D, Blum, H.E, Bartenschlager, R, Moradpour, D. | Deposit date: | 2003-10-21 | Release date: | 2004-08-10 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Structure and function of the membrane anchor domain of hepatitis C virus nonstructural protein 5A. J.Biol.Chem., 279, 2004
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8QJR
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![BU of 8qjr by Molmil](/molmil-images/mine/8qjr) | BRG1 bromodomain in complex with VBC via compound 17 | Descriptor: | (2S,4R)-1-[(2R)-2-[3-[2-[4-[3-[4-[(1R,5S)-3-[3-azanyl-6-(2-hydroxyphenyl)pyridazin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]pyridin-2-yl]oxycyclobutyl]oxypiperidin-1-yl]ethoxy]-1,2-oxazol-5-yl]-3-methyl-butanoyl]-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-4-oxidanyl-pyrrolidine-2-carboxamide, CHLORIDE ION, Elongin-B, ... | Authors: | Kerry, P.S, Hole, A.J, Perez-Dorado, J.I. | Deposit date: | 2023-09-13 | Release date: | 2024-01-17 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (3.17 Å) | Cite: | PROTACs Targeting BRM (SMARCA2) Afford Selective In Vivo Degradation over BRG1 (SMARCA4) and Are Active in BRG1 Mutant Xenograft Tumor Models. J.Med.Chem., 67, 2024
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8QJS
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![BU of 8qjs by Molmil](/molmil-images/mine/8qjs) | VHL/Elongin B/Elongin C complex with compound 155 | Descriptor: | (2S,4R)-1-[(2R)-2-[3-[2-(2-methoxyethoxy)ethoxy]-1,2-oxazol-5-yl]-3-methyl-butanoyl]-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ... | Authors: | Kerry, P.S, Hole, A.J, Perez-Dorado, J.I. | Deposit date: | 2023-09-13 | Release date: | 2024-01-17 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (3.191 Å) | Cite: | PROTACs Targeting BRM (SMARCA2) Afford Selective In Vivo Degradation over BRG1 (SMARCA4) and Are Active in BRG1 Mutant Xenograft Tumor Models. J.Med.Chem., 67, 2024
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8FWL
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![BU of 8fwl by Molmil](/molmil-images/mine/8fwl) | |
1S10
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![BU of 1s10 by Molmil](/molmil-images/mine/1s10) | Snapshots of replication through an abasic lesion: structural basis for base substitution and frameshift | Descriptor: | 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, 5'-D(*GP*GP*GP*GP*GP*AP*AP*GP*GP*AP*CP*TP*A)-3', 5'-D(*TP*CP*AP*GP*TP*AP*GP*TP*CP*CP*TP*TP*CP*CP*CP*CP*C)-3', ... | Authors: | Ling, H, Boudsocq, F, Woodgate, R, Yang, W. | Deposit date: | 2004-01-05 | Release date: | 2004-03-30 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Snapshots of Replication through an Abasic Lesion; Structural Basis for Base Substitutions and Frameshifts. Mol.Cell, 13, 2004
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6M92
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![BU of 6m92 by Molmil](/molmil-images/mine/6m92) | Monophosphorylated pSer33 b-Catenin peptide, b-TrCP/Skp1, NRX-2663 ternary complex | Descriptor: | 3-{[2-oxo-4-phenoxy-6-(trifluoromethyl)-1,2-dihydropyridine-3-carbonyl]amino}benzoic acid, Catenin beta-1, F-box/WD repeat-containing protein 1A, ... | Authors: | Simonetta, K.R, Clifton, M.C, Walter, R.L, Ranieri, G.M, Carter, J.J, Lee, S.J. | Deposit date: | 2018-08-22 | Release date: | 2019-04-03 | Last modified: | 2020-01-15 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Prospective discovery of small molecule enhancers of an E3 ligase-substrate interaction. Nat Commun, 10, 2019
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1S0N
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![BU of 1s0n by Molmil](/molmil-images/mine/1s0n) | Snapshots of replication through an abasic lesion: structural basis for base substitution and frameshift | Descriptor: | 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, 5'-D(*GP*GP*CP*AP*CP*TP*GP*AP*TP*CP*AP*CP*G)-3', 5'-D(*TP*AP*CP*GP*AP*CP*GP*TP*GP*AP*TP*CP*AP*GP*TP*GP*CP*C)-3', ... | Authors: | Ling, H, Boudsocq, F, Woodgate, R, Yang, W. | Deposit date: | 2003-12-31 | Release date: | 2004-03-30 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Snapshots of Replication through an Abasic Lesion; Structural Basis for Base Substitutions and Frameshifts. Mol.Cell, 13, 2004
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1S0O
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![BU of 1s0o by Molmil](/molmil-images/mine/1s0o) | Snapshots of replication through an abasic lesion: structural basis for base substitution and frameshift | Descriptor: | 5'-D(*GP*GP*GP*GP*GP*AP*AP*GP*GP*AP*CP*TP*C)-3', 5'-D(*TP*CP*AP*GP*TP*AP*GP*TP*CP*CP*TP*TP*CP*CP*CP*CP*C)-3', CALCIUM ION, ... | Authors: | Ling, H, Boudsocq, F, Woodgate, R, Yang, W. | Deposit date: | 2003-12-31 | Release date: | 2004-03-30 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Snapshots of Replication through an Abasic Lesion; Structural Basis for Base Substitutions and Frameshifts. Mol.Cell, 13, 2004
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5A00
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![BU of 5a00 by Molmil](/molmil-images/mine/5a00) | Structure of human PARP1 catalytic domain bound to an isoindolinone inhibitor | Descriptor: | 2-[1-(4,4-Difluorocyclohexyl)-piperidin-4-yl]-6-fluoro-3-oxo-2,3-dihydro-1H-isoindole-4-carboxamide, POLY [ADP-RIBOSE] POLYMERASE 1, SULFATE ION | Authors: | Casale, E, Fasolini, M, Papeo, G, Posteri, H, Borghi, D, Busel, A.A, Caprera, F, Ciomei, M, Cirla, A, Corti, E, DAnello, M, Fasolini, M, Felder, E.R, Forte, B, Galvani, A, Isacchi, A, Khvat, A, Krasavin, M.Y, Lupi, R, Orsini, P, Perego, R, Pesenti, E, Pezzetta, D, Rainoldi, S, RiccardiSirtori, F, Scolaro, A, Sola, F, Zuccotto, F, Donati, D, Montagnoli, A. | Deposit date: | 2015-04-15 | Release date: | 2015-08-12 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Discovery of 2-[1-(4,4-Difluorocyclohexyl)Piperidin-4-Yl]-6-Fluoro-3-Oxo-2,3-Dihydro-1H-Isoindole-4-Carboxamide (Nms-P118): A Potent, Orally Available and Highly Selective Parp- 1 Inhibitor for Cancer Therapy. J.Med.Chem., 58, 2015
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3VKX
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![BU of 3vkx by Molmil](/molmil-images/mine/3vkx) | Structure of PCNA | Descriptor: | 3,5,3'TRIIODOTHYRONINE, CHLORIDE ION, Proliferating cell nuclear antigen, ... | Authors: | Hashimoto, H, Hishiki, A, Shimizu, T, Sato, M, Punchihewa, C, Connelly, M, Actis, M, Waddell, B, Pagala, V, Fujii, N. | Deposit date: | 2011-11-26 | Release date: | 2012-03-14 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Identification of small molecule proliferating cell nuclear antigen (PCNA) inhibitor that disrupts interactions with PIP-box proteins and inhibits DNA replication J.Biol.Chem., 287, 2012
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3WU1
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![BU of 3wu1 by Molmil](/molmil-images/mine/3wu1) | Crystal structure of the ETS1-RUNX1-DNA ternary complex | Descriptor: | DNA (5'-D(*CP*AP*GP*AP*GP*GP*AP*TP*GP*TP*GP*GP*CP*TP*TP*C)-3'), DNA (5'-D(*GP*GP*AP*AP*GP*CP*CP*AP*CP*AP*TP*CP*CP*TP*CP*T)-3'), Protein C-ets-1, ... | Authors: | Tahirov, T.H, Ogata, K. | Deposit date: | 2014-04-21 | Release date: | 2014-08-20 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | A novel allosteric mechanism on protein-DNA interactions underlying the phosphorylation-dependent regulation of Ets1 target gene expressions. J.Mol.Biol., 427, 2015
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5VRJ
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![BU of 5vrj by Molmil](/molmil-images/mine/5vrj) | 2009 H1N1 PA Endonuclease in complex with RO-7 and Magnesium | Descriptor: | 1-[(11S)-6,11-dihydrodibenzo[b,e]thiepin-11-yl]-5-hydroxy-3-[(2R)-1,1,1-trifluoropropan-2-yl]-2,3-dihydro-1H-pyrido[2,1-f][1,2,4]triazine-4,6-dione, MAGNESIUM ION, Polymerase acidic protein, ... | Authors: | Kumar, G, White, S.W. | Deposit date: | 2017-05-10 | Release date: | 2018-04-11 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.302 Å) | Cite: | Identification of the I38T PA Substitution as a Resistance Marker for Next-Generation Influenza Virus Endonuclease Inhibitors. MBio, 9, 2018
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5VPX
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![BU of 5vpx by Molmil](/molmil-images/mine/5vpx) | I38T mutant of 2009 H1N1 PA Endonuclease in complex with RO-7 | Descriptor: | 1-[(11S)-6,11-dihydrodibenzo[b,e]thiepin-11-yl]-5-hydroxy-3-[(2R)-1,1,1-trifluoropropan-2-yl]-2,3-dihydro-1H-pyrido[2,1-f][1,2,4]triazine-4,6-dione, MANGANESE (II) ION, Polymerase acidic protein, ... | Authors: | Kumar, G, White, S.W. | Deposit date: | 2017-05-06 | Release date: | 2018-04-11 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.303 Å) | Cite: | Identification of the I38T PA Substitution as a Resistance Marker for Next-Generation Influenza Virus Endonuclease Inhibitors. MBio, 9, 2018
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5VQN
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![BU of 5vqn by Molmil](/molmil-images/mine/5vqn) | E119D mutant of 2009 H1N1 PA Endonuclease in complex with RO-7 | Descriptor: | 1-[(11S)-6,11-dihydrodibenzo[b,e]thiepin-11-yl]-5-hydroxy-3-[(2R)-1,1,1-trifluoropropan-2-yl]-2,3-dihydro-1H-pyrido[2,1-f][1,2,4]triazine-4,6-dione, MANGANESE (II) ION, Polymerase acidic protein, ... | Authors: | Kumar, G, White, S.W. | Deposit date: | 2017-05-09 | Release date: | 2018-04-11 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.002 Å) | Cite: | Identification of the I38T PA Substitution as a Resistance Marker for Next-Generation Influenza Virus Endonuclease Inhibitors. MBio, 9, 2018
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3GQO
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![BU of 3gqo by Molmil](/molmil-images/mine/3gqo) | Crystal structure of macro domain of Venezuelan Equine Encephalitis virus in complex with ADP-ribose | Descriptor: | ADENOSINE-5-DIPHOSPHORIBOSE, Non-structural protein 3 | Authors: | Malet, H, Jamal, S, Coutard, B, Ferron, F, Canard, B. | Deposit date: | 2009-03-24 | Release date: | 2009-07-21 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | The crystal structures of Chikungunya and Venezuelan equine encephalitis virus nsP3 macro domains define a conserved adenosine binding pocket J.Virol., 83, 2009
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5VPT
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![BU of 5vpt by Molmil](/molmil-images/mine/5vpt) | 2009 H1N1 PA Endonuclease in complex with RO-7 | Descriptor: | 1-[(11S)-6,11-dihydrodibenzo[b,e]thiepin-11-yl]-5-hydroxy-3-[(2R)-1,1,1-trifluoropropan-2-yl]-2,3-dihydro-1H-pyrido[2,1-f][1,2,4]triazine-4,6-dione, MANGANESE (II) ION, Polymerase acidic protein, ... | Authors: | Kumar, G, White, S.W. | Deposit date: | 2017-05-05 | Release date: | 2018-04-11 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Identification of the I38T PA Substitution as a Resistance Marker for Next-Generation Influenza Virus Endonuclease Inhibitors. MBio, 9, 2018
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6ZY7
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![BU of 6zy7 by Molmil](/molmil-images/mine/6zy7) | Cryo-EM structure of the entire Human topoisomerase II alpha in State 1 | Descriptor: | (5S,5aR,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol -5-yl 4,6-O-[(1R)-ethylidene]-beta-D-glucopyranoside, DNA (5'-D(*CP*GP*CP*GP*CP*AP*TP*CP*GP*TP*CP*AP*TP*CP*CP*TP*C)-3'), DNA (5'-D(*GP*AP*GP*GP*AP*TP*GP*AP*CP*GP*AP*TP*G)-3'), ... | Authors: | Vanden Broeck, A, Lamour, V. | Deposit date: | 2020-07-30 | Release date: | 2021-05-26 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (4.64 Å) | Cite: | Structural basis for allosteric regulation of Human Topoisomerase II alpha. Nat Commun, 12, 2021
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6ZY6
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![BU of 6zy6 by Molmil](/molmil-images/mine/6zy6) | Cryo-EM structure of the Human topoisomerase II alpha DNA-binding/cleavage domain in State 2 | Descriptor: | (5S,5aR,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol -5-yl 4,6-O-[(1R)-ethylidene]-beta-D-glucopyranoside, DNA (5'-D(*CP*GP*CP*GP*CP*AP*TP*CP*GP*TP*CP*AP*TP*CP*CP*TP*C)-3'), DNA (5'-D(*GP*AP*GP*GP*AP*TP*GP*AP*CP*GP*AP*TP*G)-3'), ... | Authors: | Vanden Broeck, A, Lamour, V. | Deposit date: | 2020-07-30 | Release date: | 2021-05-26 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (4.1 Å) | Cite: | Structural basis for allosteric regulation of Human Topoisomerase II alpha. Nat Commun, 12, 2021
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6ZY8
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![BU of 6zy8 by Molmil](/molmil-images/mine/6zy8) | Cryo-EM structure of the entire Human topoisomerase II alpha in State 2 | Descriptor: | (5S,5aR,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol -5-yl 4,6-O-[(1R)-ethylidene]-beta-D-glucopyranoside, DNA (5'-D(*CP*GP*CP*GP*CP*AP*TP*CP*GP*TP*CP*AP*TP*CP*CP*TP*C)-3'), DNA (5'-D(*GP*AP*GP*GP*AP*TP*GP*AP*CP*GP*AP*TP*G)-3'), ... | Authors: | Vanden Broeck, A, Lamour, V. | Deposit date: | 2020-07-30 | Release date: | 2021-05-26 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (7.4 Å) | Cite: | Structural basis for allosteric regulation of Human Topoisomerase II alpha. Nat Commun, 12, 2021
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6ZY5
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![BU of 6zy5 by Molmil](/molmil-images/mine/6zy5) | Cryo-EM structure of the Human topoisomerase II alpha DNA-binding/cleavage domain in State 1 | Descriptor: | (5S,5aR,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol -5-yl 4,6-O-[(1R)-ethylidene]-beta-D-glucopyranoside, DNA (5'-D(*CP*GP*CP*GP*CP*AP*TP*CP*GP*TP*CP*AP*TP*CP*CP*TP*C)-3'), DNA (5'-D(*GP*AP*GP*GP*AP*TP*GP*AP*CP*GP*AP*TP*G)-3'), ... | Authors: | Vanden Broeck, A, Lamour, V. | Deposit date: | 2020-07-30 | Release date: | 2021-05-26 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Structural basis for allosteric regulation of Human Topoisomerase II alpha. Nat Commun, 12, 2021
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6ZWR
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![BU of 6zwr by Molmil](/molmil-images/mine/6zwr) | p38a bound with SR92 | Descriptor: | 1,2-ETHANEDIOL, 5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-oxidanylidene-1-(pyridin-4-ylmethylamino)butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide, Mitogen-activated protein kinase 14 | Authors: | Schroeder, M, Roehm, S, Knapp, S, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Structural Genomics Consortium (SGC) | Deposit date: | 2020-07-28 | Release date: | 2020-08-12 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Selective targeting of the alpha C and DFG-out pocket in p38 MAPK. Eur.J.Med.Chem., 208, 2020
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2QFL
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![BU of 2qfl by Molmil](/molmil-images/mine/2qfl) | Structure of SuhB: Inositol monophosphatase and extragenic suppressor from E. coli | Descriptor: | ACETATE ION, ETHYL ACETATE, Inositol-1-monophosphatase | Authors: | Wang, Y, Stieglitz, K.A, Bubunenko, M, Court, D, Stec, B, Roberts, M.F. | Deposit date: | 2007-06-27 | Release date: | 2007-07-24 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The structure of the R184A mutant of the inositol monophosphatase encoded by suhB and implications for its functional interactions in Escherichia coli. J.Biol.Chem., 282, 2007
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3UIP
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![BU of 3uip by Molmil](/molmil-images/mine/3uip) | Complex between human RanGAP1-SUMO1, UBC9 and the IR1 domain from RanBP2 containing IR2 Motif II | Descriptor: | E3 SUMO-protein ligase RanBP2, Ran GTPase-activating protein 1, SUMO-conjugating enzyme UBC9, ... | Authors: | Gareau, J.R, Reverter, D, Lima, C.D. | Deposit date: | 2011-11-05 | Release date: | 2011-12-28 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.293 Å) | Cite: | Determinants of small ubiquitin-like modifier 1 (SUMO1) protein specificity, E3 ligase, and SUMO-RanGAP1 binding activities of nucleoporin RanBP2. J.Biol.Chem., 287, 2012
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6BCB
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![BU of 6bcb by Molmil](/molmil-images/mine/6bcb) | |
5MXO
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![BU of 5mxo by Molmil](/molmil-images/mine/5mxo) | Crystal structure of 14-3-3sigma and a p53 C-terminal 12-mer synthetic phosphopeptide stabilized by Fusicoccin-A | Descriptor: | 14-3-3 protein sigma, CHLORIDE ION, FUSICOCCIN, ... | Authors: | Andrei, S, Ottmann, C, Leysen, S. | Deposit date: | 2017-01-24 | Release date: | 2017-11-08 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Small-molecule stabilization of the p53 - 14-3-3 protein-protein interaction. FEBS Lett., 591, 2017
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