8PEP
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![BU of 8pep by Molmil](/molmil-images/mine/8pep) | H3K36me2 nucleosome-LEDGF/p75 PWWP domain complex - pose 2 | Descriptor: | Histone H2A, Histone H2B 1.1, Histone H3, ... | Authors: | Koutna, E, Kouba, T, Veverka, V. | Deposit date: | 2023-06-14 | Release date: | 2023-08-16 | Last modified: | 2023-11-15 | Method: | ELECTRON MICROSCOPY (3.33 Å) | Cite: | Multivalency of nucleosome recognition by LEDGF. Nucleic Acids Res., 51, 2023
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7Z6I
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![BU of 7z6i by Molmil](/molmil-images/mine/7z6i) | Crystal structure of p38alpha C162S in complex with SB20358 and CAS 2094667-81-7 (behind catalytic site; Y35 in), P 21 21 21 | Descriptor: | 4-[4-(4-fluorophenyl)-2-[4-[methyl(oxidanyl)-$l^{3}-sulfanyl]phenyl]-1~{H}-imidazol-5-yl]pyridine, Mitogen-activated protein kinase 14, N-(2-cyclobutyl-1H-1,3-benzodiazol-5-yl)benzenesulfonamide | Authors: | Baginski, B, Pous, J, Gonzalez, L, Macias, M.J, Nebreda, A.R. | Deposit date: | 2022-03-11 | Release date: | 2023-06-14 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Characterization of p38 alpha autophosphorylation inhibitors that target the non-canonical activation pathway. Nat Commun, 14, 2023
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7Z9T
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![BU of 7z9t by Molmil](/molmil-images/mine/7z9t) | Crystal structure of p38alpha C162S in complex with ATPgS and CAS 2094667-81-7 (in catalytic site, Y35 out), P 1 21 1 | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Mitogen-activated protein kinase 14, N-(2-cyclobutyl-1H-1,3-benzodiazol-5-yl)benzenesulfonamide | Authors: | Baginski, B, Pous, J, Gonzalez, L, Macias, M.J, Nebreda, A.R. | Deposit date: | 2022-03-21 | Release date: | 2023-06-14 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Characterization of p38 alpha autophosphorylation inhibitors that target the non-canonical activation pathway. Nat Commun, 14, 2023
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4WWA
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![BU of 4wwa by Molmil](/molmil-images/mine/4wwa) | Crystal structure of binary complex Bud32-Cgi121 | Descriptor: | EKC/KEOPS complex subunit BUD32, EKC/KEOPS complex subunit CGI121, SULFATE ION | Authors: | Zhang, W, van Tilbeurgh, H. | Deposit date: | 2014-11-10 | Release date: | 2015-03-18 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.953 Å) | Cite: | Crystal structures of the Gon7/Pcc1 and Bud32/Cgi121 complexes provide a model for the complete yeast KEOPS complex. Nucleic Acids Res., 43, 2015
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4WW7
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![BU of 4ww7 by Molmil](/molmil-images/mine/4ww7) | |
4WX8
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![BU of 4wx8 by Molmil](/molmil-images/mine/4wx8) | Crystal structure of binary complex Gon7-Pcc1 | Descriptor: | ACETATE ION, EKC/KEOPS complex subunit GON7, EKC/KEOPS complex subunit PCC1 | Authors: | Zhang, W, Van Tilbeurgh, H. | Deposit date: | 2014-11-13 | Release date: | 2015-03-18 | Last modified: | 2015-04-15 | Method: | X-RAY DIFFRACTION (2.99 Å) | Cite: | Crystal structures of the Gon7/Pcc1 and Bud32/Cgi121 complexes provide a model for the complete yeast KEOPS complex. Nucleic Acids Res., 43, 2015
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4WXA
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![BU of 4wxa by Molmil](/molmil-images/mine/4wxa) | Crystal structure of binary complex Gon7-Pcc1 | Descriptor: | ACETATE ION, EKC/KEOPS complex subunit GON7, EKC/KEOPS complex subunit PCC1, ... | Authors: | Zhang, W, van Tilbeurgh, H. | Deposit date: | 2014-11-13 | Release date: | 2015-03-18 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | Crystal structures of the Gon7/Pcc1 and Bud32/Cgi121 complexes provide a model for the complete yeast KEOPS complex. Nucleic Acids Res., 43, 2015
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1YG3
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![BU of 1yg3 by Molmil](/molmil-images/mine/1yg3) | |
4WW5
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![BU of 4ww5 by Molmil](/molmil-images/mine/4ww5) | Crystal structure of binary complex Bud32-Cgi121 in complex with AMPP | Descriptor: | ACETATE ION, EKC/KEOPS complex subunit BUD32, EKC/KEOPS complex subunit CGI121, ... | Authors: | Zhang, W. | Deposit date: | 2014-11-10 | Release date: | 2015-03-18 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.997 Å) | Cite: | Crystal structures of the Gon7/Pcc1 and Bud32/Cgi121 complexes provide a model for the complete yeast KEOPS complex. Nucleic Acids Res., 43, 2015
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4WW9
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![BU of 4ww9 by Molmil](/molmil-images/mine/4ww9) | |
8GH6
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![BU of 8gh6 by Molmil](/molmil-images/mine/8gh6) | |
6G0Y
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![BU of 6g0y by Molmil](/molmil-images/mine/6g0y) | X-ray structure of M-21 protein complex | Descriptor: | Matrix M2-1, Phosphoprotein, ZINC ION | Authors: | Edwards, T.A, Barr, J. | Deposit date: | 2018-03-20 | Release date: | 2018-11-14 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.42 Å) | Cite: | The Structure of the Human Respiratory Syncytial Virus M2-1 Protein Bound to the Interaction Domain of the Phosphoprotein P Defines the Orientation of the Complex. Mbio, 9, 2018
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8DL7
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![BU of 8dl7 by Molmil](/molmil-images/mine/8dl7) | Cryo-EM structure of human ferroportin/slc40 bound to minihepcidin PR73 in nanodisc | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 11F9 heavy-chain, 11F9 light-chain, ... | Authors: | Shen, J, Wilbon, A.S, Pan, Y, Zhou, M. | Deposit date: | 2022-07-07 | Release date: | 2022-12-07 | Last modified: | 2023-11-15 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Structural basis of ferroportin inhibition by minihepcidin PR73. Plos Biol., 21, 2023
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8DL8
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![BU of 8dl8 by Molmil](/molmil-images/mine/8dl8) | Cryo-EM structure of human ferroportin/slc40 bound to Co2+ in nanodisc | Descriptor: | 11F9 heavy-chain, 11F9 light-chain, COBALT (II) ION, ... | Authors: | Shen, J, Wilbon, A.S, Pan, Y, Zhou, M. | Deposit date: | 2022-07-07 | Release date: | 2022-12-07 | Last modified: | 2023-02-01 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structural basis of ferroportin inhibition by minihepcidin PR73. Plos Biol., 21, 2023
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8HST
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![BU of 8hst by Molmil](/molmil-images/mine/8hst) | |
8HSV
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![BU of 8hsv by Molmil](/molmil-images/mine/8hsv) | The structure of rat beta-arrestin1 in complex with a rat Mdm2 peptide | Descriptor: | Beta-arrestin-1, SULFATE ION, peptide from E3 ubiquitin-protein ligase Mdm2 | Authors: | Yun, Y, Yoon, H.J, Choi, Y, Lee, H.H. | Deposit date: | 2022-12-20 | Release date: | 2023-07-19 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | GPCR targeting of E3 ubiquitin ligase MDM2 by inactive beta-arrestin. Proc.Natl.Acad.Sci.USA, 120, 2023
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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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2JZE
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![BU of 2jze by Molmil](/molmil-images/mine/2jze) | NMR structure of the domain 527-651 of the SARS-CoV nonstructural protein nsp3, single conformer closest to the mean coordinates of an ensemble of twenty energy minimized conformers | Descriptor: | Replicase polyprotein 1ab | Authors: | Chatterjee, A, Johnson, M.A, Serrano, P, Pedrini, B, Joseph, J, Saikatendu, K, Neuman, B, Stevens, R.C, Wilson, I.A, Buchmeier, M.J, Kuhn, P, Wuthrich, K, Joint Center for Structural Genomics (JCSG) | Deposit date: | 2008-01-04 | Release date: | 2008-02-05 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Nuclear magnetic resonance structure shows that the severe acute respiratory syndrome coronavirus-unique domain contains a macrodomain fold. J.Virol., 83, 2009
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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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7NBV
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![BU of 7nbv by Molmil](/molmil-images/mine/7nbv) | Structure of 2A protein from Theilers murine encephalomyelitis virus (TMEV) | Descriptor: | BROMIDE ION, Capsid protein VP0 | Authors: | Hill, C.H, Cook, G.M, Napthine, S, Kibe, A, Brown, K, Caliskan, N, Firth, A.E, Graham, S.C, Brierley, I. | Deposit date: | 2021-01-28 | Release date: | 2021-12-08 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Investigating molecular mechanisms of 2A-stimulated ribosomal pausing and frameshifting in Theilovirus. Nucleic Acids Res., 49, 2021
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6Y4T
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![BU of 6y4t by Molmil](/molmil-images/mine/6y4t) | Crystal structure of p38 in complex with SR63. | Descriptor: | 1,2-ETHANEDIOL, 5-azanyl-~{N}-[[4-[[(2~{S})-1-[[(2~{S})-butan-2-yl]amino]-4-cyclohexyl-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide, Mitogen-activated protein kinase 14 | Authors: | Chaikuad, A, Roehm, S, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2020-02-23 | Release date: | 2020-03-04 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.98 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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1WBO
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![BU of 1wbo by Molmil](/molmil-images/mine/1wbo) | fragment based p38 inhibitors | Descriptor: | 2-CHLOROPHENOL, MITOGEN-ACTIVATED PROTEIN KINASE 14 | Authors: | Cleasby, A, Devine, L, Gill, A, Jhoti, H. | Deposit date: | 2004-11-04 | Release date: | 2005-01-27 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | Fragment-Based Lead Discovery Using X-Ray Crystallography J.Med.Chem., 48, 2005
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6Y4X
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![BU of 6y4x by Molmil](/molmil-images/mine/6y4x) | Crystal structure of p38 in complex with SR72 | Descriptor: | 1,2-ETHANEDIOL, 5-azanyl-~{N}-[[4-[[(2~{S})-1-[2-(4-chlorophenyl)ethylamino]-4-cyclohexyl-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide, Mitogen-activated protein kinase 14 | Authors: | Chaikuad, A, Roehm, S, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2020-02-23 | Release date: | 2020-03-04 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.6 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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