7LVM
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7LVJ
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![BU of 7lvj by Molmil](/molmil-images/mine/7lvj) | CASP8 isoform G DED domain | Descriptor: | Isoform 9 of Caspase-8 | Authors: | Weichert, K, Lu, F, Kodandapani, L, Sauder, J.M. | Deposit date: | 2021-02-25 | Release date: | 2022-03-02 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Caspase-8 Variant G Regulates Rheumatoid Arthritis Fibroblast-Like Synoviocyte Aggressive Behavior. ACR Open Rheumatol, 4, 2022
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7K2U
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![BU of 7k2u by Molmil](/molmil-images/mine/7k2u) | DHODH IN COMPLEX WITH LIGAND 13 | Descriptor: | 6-fluoro-2-(2'-fluoro[1,1'-biphenyl]-4-yl)-N-methoxy-3-methylquinoline-4-carboxamide, ACETATE ION, Dihydroorotate dehydrogenase (quinone), ... | Authors: | Shaffer, P.L. | Deposit date: | 2020-09-09 | Release date: | 2020-10-21 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | A carboxylic acid isostere screen of the DHODH inhibitor Brequinar. Bioorg.Med.Chem.Lett., 30, 2020
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7D6X
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![BU of 7d6x by Molmil](/molmil-images/mine/7d6x) | Mycobacterium smegmatis Sdh1 complex in the apo form | Descriptor: | (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, FE2/S2 (INORGANIC) CLUSTER, FE3-S4 CLUSTER, ... | Authors: | Zhou, X, Gao, Y, Wang, Q, Gong, H, Rao, Z. | Deposit date: | 2020-10-02 | Release date: | 2021-04-07 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (2.88 Å) | Cite: | Architecture of the mycobacterial succinate dehydrogenase with a membrane-embedded Rieske FeS cluster. Proc.Natl.Acad.Sci.USA, 118, 2021
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1T70
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![BU of 1t70 by Molmil](/molmil-images/mine/1t70) | Crystal structure of a novel phosphatase from Deinococcus radiodurans | Descriptor: | Phosphatase | Authors: | Shin, D.H, Wang, W, Kim, R, Yokota, H, Kim, S.H, Berkeley Structural Genomics Center (BSGC) | Deposit date: | 2004-05-07 | Release date: | 2004-12-07 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural and enzymatic characterization of DR1281: A calcineurin-like phosphoesterase from Deinococcus radiodurans. Proteins, 70, 2008
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6ATV
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![BU of 6atv by Molmil](/molmil-images/mine/6atv) | The molecular mechanisms by which NS1 of the 1918 Spanish influenza A virus hijack host protein-protein interactions | Descriptor: | Adapter molecule crk, proline-rich motif in IAV-NS1 | Authors: | Shen, Q, Zeng, D, Zhao, B, Li, P, Cho, J.H. | Deposit date: | 2017-08-29 | Release date: | 2018-08-08 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.751 Å) | Cite: | Molecular Mechanisms of Tight Binding through Fuzzy Interactions. Biophys. J., 114, 2018
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6ZRU
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![BU of 6zru by Molmil](/molmil-images/mine/6zru) | Crystal structure of SARS CoV2 main protease in complex with inhibitor Boceprevir | Descriptor: | DIMETHYL SULFOXIDE, Main Protease, boceprevir (bound form) | Authors: | Oerlemans, R, Wang, W, Lunev, S, Domling, A, Groves, M.R. | Deposit date: | 2020-07-14 | Release date: | 2020-08-12 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Repurposing the HCV NS3-4A protease drug boceprevir as COVID-19 therapeutics. Rsc Med Chem, 12, 2020
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6ZRT
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![BU of 6zrt by Molmil](/molmil-images/mine/6zrt) | Crystal structure of SARS CoV2 main protease in complex with inhibitor Telaprevir | Descriptor: | (1S,3aR,6aS)-2-[(2S)-2-({(2S)-2-cyclohexyl-2-[(pyrazin-2-ylcarbonyl)amino]acetyl}amino)-3,3-dimethylbutanoyl]-N-[(2R,3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]octahydrocyclopenta[c]pyrrole-1-carboxamide, DIMETHYL SULFOXIDE, Main Protease | Authors: | Oerlemans, R, Wang, W, Lunev, S, Domling, A, Groves, M.R. | Deposit date: | 2020-07-14 | Release date: | 2020-08-12 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Repurposing the HCV NS3-4A protease drug boceprevir as COVID-19 therapeutics. Rsc Med Chem, 12, 2020
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7D6V
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![BU of 7d6v by Molmil](/molmil-images/mine/7d6v) | Mycobacterium smegmatis Sdh1 in complex with UQ1 | Descriptor: | (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, FE2/S2 (INORGANIC) CLUSTER, FE3-S4 CLUSTER, ... | Authors: | Zhou, X, Gao, Y, Wang, Q, Gong, H, Rao, Z. | Deposit date: | 2020-10-02 | Release date: | 2021-04-07 | Last modified: | 2022-02-16 | Method: | ELECTRON MICROSCOPY (2.53 Å) | Cite: | Architecture of the mycobacterial succinate dehydrogenase with a membrane-embedded Rieske FeS cluster. Proc.Natl.Acad.Sci.USA, 118, 2021
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8JAT
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7F9O
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![BU of 7f9o by Molmil](/molmil-images/mine/7f9o) | PSI-NDH supercomplex of Barley | Descriptor: | (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, ... | Authors: | Wang, W.D, Shen, L, Tang, K, Han, G.Y, Shen, J.R, Zhang, X. | Deposit date: | 2021-07-04 | Release date: | 2021-12-22 | Last modified: | 2022-02-09 | Method: | ELECTRON MICROSCOPY (4.5 Å) | Cite: | Architecture of the chloroplast PSI-NDH supercomplex in Hordeum vulgare. Nature, 601, 2022
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7EW6
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![BU of 7ew6 by Molmil](/molmil-images/mine/7ew6) | Barley photosystem I-LHCI-Lhca5 supercomplex | Descriptor: | (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ... | Authors: | Wang, W.D, Shen, L, Tang, K, Han, G.Y, Zhang, X, Shen, J.R. | Deposit date: | 2021-05-24 | Release date: | 2021-12-22 | Last modified: | 2022-02-09 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Architecture of the chloroplast PSI-NDH supercomplex in Hordeum vulgare. Nature, 601, 2022
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7EU3
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![BU of 7eu3 by Molmil](/molmil-images/mine/7eu3) | Chloroplast NDH complex | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, BETA-CAROTENE, ... | Authors: | Wang, W.D, Shen, L, Tang, K, Han, G.Y, Zhang, X, Shen, J.R. | Deposit date: | 2021-05-15 | Release date: | 2021-12-29 | Last modified: | 2022-02-09 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Architecture of the chloroplast PSI-NDH supercomplex in Hordeum vulgare. Nature, 601, 2022
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7EWK
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![BU of 7ewk by Molmil](/molmil-images/mine/7ewk) | Barley photosystem I-LHCI-Lhca6 supercomplex | Descriptor: | (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ... | Authors: | Wang, W.D, Shen, L, Tang, K, Han, G.Y, Zhang, X, Shen, J.R. | Deposit date: | 2021-05-25 | Release date: | 2022-01-12 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (3.88 Å) | Cite: | Architecture of the chloroplast PSI-NDH supercomplex in Hordeum vulgare. Nature, 601, 2022
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4CW1
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![BU of 4cw1 by Molmil](/molmil-images/mine/4cw1) | COMPLEX OF A B14 CHICKEN MHC CLASS I MOLECULE AND A 9MER CHICKEN PEPTIDE | Descriptor: | BETA-2-MICROGLOBULIN, MAJOR HISTOCOMPATIBILITY COMPLEX CLASS I GLYCOPROTEIN HAPLOTYPE B14, PEPTIDE | Authors: | Chappell, P.E, Roversi, P, Harrison, M.C, Mears, L.E, Kaufman, J.F, Lea, S.M. | Deposit date: | 2014-03-31 | Release date: | 2015-05-06 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.58 Å) | Cite: | Expression levels of MHC class I molecules are inversely correlated with promiscuity of peptide binding. Elife, 4, 2015
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4D0D
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![BU of 4d0d by Molmil](/molmil-images/mine/4d0d) | COMPLEX OF A B2 CHICKEN MHC CLASS I MOLECULE AND A 8MER CHICKEN PEPTIDE | Descriptor: | BETA-2-MICROGLOBULIN, MAJOR HISTOCOMPATIBILITY COMPLEX CLASS I GLYCOPROTEIN HAPLOTYPE B2, SLP-76 ADAPTOR PROTEIN | Authors: | Chappell, P.E, Roversi, P, Harrison, M.C, Mears, L.E, Kaufman, J.F, Lea, S.M. | Deposit date: | 2014-04-25 | Release date: | 2015-05-06 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.13 Å) | Cite: | Expression levels of MHC class I molecules are inversely correlated with promiscuity of peptide binding. Elife, 4, 2015
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4D0C
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![BU of 4d0c by Molmil](/molmil-images/mine/4d0c) | COMPLEX OF A B21 CHICKEN MHC CLASS I MOLECULE AND A 10MER CHICKEN PEPTIDE | Descriptor: | 1,2-ETHANEDIOL, 10MER PEPTIDE, BETA-2-MICROGLOBULIN, ... | Authors: | Chappell, P.E, Roversi, P, Harrison, M.C, Mears, L.E, Kaufman, J.F, Lea, S.M. | Deposit date: | 2014-04-25 | Release date: | 2015-05-06 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.81 Å) | Cite: | Expression levels of MHC class I molecules are inversely correlated with promiscuity of peptide binding. Elife, 4, 2015
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4CVZ
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![BU of 4cvz by Molmil](/molmil-images/mine/4cvz) | COMPLEX OF A B21 CHICKEN MHC CLASS I MOLECULE AND A 10MER CHICKEN PEPTIDE | Descriptor: | 1,2-ETHANEDIOL, BETA-2-MICROGLOBULIN, MAJOR HISTOCOMPATIBILITY COMPLEX CLASS I GLYCOPROTEIN HAPLOTYPE B21, ... | Authors: | Chappell, P.E, Roversi, P, Harrison, M.C, Mears, L.E, Kaufman, J.F, Lea, S.M. | Deposit date: | 2014-03-31 | Release date: | 2015-05-06 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | Expression levels of MHC class I molecules are inversely correlated with promiscuity of peptide binding. Elife, 4, 2015
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4D0B
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![BU of 4d0b by Molmil](/molmil-images/mine/4d0b) | COMPLEX OF A B21 CHICKEN MHC CLASS I MOLECULE AND A 10MER CHICKEN PEPTIDE | Descriptor: | BETA-2-MICROGLOBULIN, MHC CLASS I ANTIGEN, PEPTIDE | Authors: | Chappell, P.E, Roversi, P, Harrison, M.C, Mears, L.E, Kaufman, J.F, Lea, S.M. | Deposit date: | 2014-04-25 | Release date: | 2015-05-06 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Expression levels of MHC class I molecules are inversely correlated with promiscuity of peptide binding. Elife, 4, 2015
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7ECW
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![BU of 7ecw by Molmil](/molmil-images/mine/7ecw) | The Csy-AcrIF14-dsDNA complex | Descriptor: | 54-MER DNA, AcrIF14, CRISPR type I-F/YPEST-associated protein Csy2, ... | Authors: | Zhang, L.X, Feng, Y. | Deposit date: | 2021-03-13 | Release date: | 2021-11-17 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Insights into the dual functions of AcrIF14 during the inhibition of type I-F CRISPR-Cas surveillance complex. Nucleic Acids Res., 49, 2021
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7ECV
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![BU of 7ecv by Molmil](/molmil-images/mine/7ecv) | The Csy-AcrIF14 complex | Descriptor: | AcrIF14, CRISPR type I-F/YPEST-associated protein Csy2, CRISPR-associated protein Csy3, ... | Authors: | Zhang, L.X, Feng, Y. | Deposit date: | 2021-03-13 | Release date: | 2021-11-17 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (3.43 Å) | Cite: | Insights into the dual functions of AcrIF14 during the inhibition of type I-F CRISPR-Cas surveillance complex. Nucleic Acids Res., 49, 2021
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7DU0
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![BU of 7du0 by Molmil](/molmil-images/mine/7du0) | Structure of an type I-F anti-crispr protein | Descriptor: | AcrIF14 | Authors: | Teng, G, Yue, F. | Deposit date: | 2021-01-07 | Release date: | 2021-11-17 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Insights into the dual functions of AcrIF14 during the inhibition of type I-F CRISPR-Cas surveillance complex. Nucleic Acids Res., 49, 2021
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7ELM
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![BU of 7elm by Molmil](/molmil-images/mine/7elm) | Structure of Csy-AcrIF24 | Descriptor: | AcrIF24, CRISPR type I-F/YPEST-associated protein Csy2, CRISPR-associated protein Csy3, ... | Authors: | Zhang, L, Feng, Y. | Deposit date: | 2021-04-12 | Release date: | 2022-04-20 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (2.88 Å) | Cite: | Insights into the inhibition of type I-F CRISPR-Cas system by a multifunctional anti-CRISPR protein AcrIF24. Nat Commun, 13, 2022
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7ELN
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![BU of 7eln by Molmil](/molmil-images/mine/7eln) | Structure of Csy-AcrIF24-dsDNA | Descriptor: | 54-MER DNA, AcrIF24, CRISPR type I-F/YPEST-associated protein Csy2, ... | Authors: | Zhang, L, Feng, Y. | Deposit date: | 2021-04-12 | Release date: | 2022-04-20 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Insights into the inhibition of type I-F CRISPR-Cas system by a multifunctional anti-CRISPR protein AcrIF24. Nat Commun, 13, 2022
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5DEW
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![BU of 5dew by Molmil](/molmil-images/mine/5dew) | Crystal structure of PAK1 in complex with an inhibitor compound 5 | Descriptor: | 8-[(trans-4-aminocyclohexyl)methyl]-6-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]-2-(ethylamino)pyrido[2,3-d]pyrimidin-7(8H)-one, Serine/threonine-protein kinase PAK 1 | Authors: | Oh, A, Tam, C, Wang, W. | Deposit date: | 2015-08-26 | Release date: | 2016-09-21 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Design of Selective PAK1 Inhibitor G-5555: Improving Proper-ties by Employing an Unorthodox Low-pKa Polar Moiety To Be Published
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