6ZLY
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5D1X
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![BU of 5d1x by Molmil](/molmil-images/mine/5d1x) | IsdB NEAT2 bound by D4-30 | Descriptor: | D4-30 Heavy Chain, D4-30 Light Chain, Iron-regulated surface determinant protein B, ... | Authors: | Deng, X. | Deposit date: | 2015-08-04 | Release date: | 2016-08-10 | Last modified: | 2016-12-07 | Method: | X-RAY DIFFRACTION (3.21 Å) | Cite: | Germline-encoded neutralization of a Staphylococcus aureus virulence factor by the human antibody repertoire. Nat Commun, 7, 2016
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5D1Q
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![BU of 5d1q by Molmil](/molmil-images/mine/5d1q) | IsdB NEAT2 bound by clone D2-06 | Descriptor: | D2-06 Heavy Chain, D2-06 Light Chain, Iron-regulated surface determinant protein B, ... | Authors: | Deng, X. | Deposit date: | 2015-08-04 | Release date: | 2016-08-10 | Last modified: | 2016-12-07 | Method: | X-RAY DIFFRACTION (3.22 Å) | Cite: | Germline-encoded neutralization of a Staphylococcus aureus virulence factor by the human antibody repertoire. Nat Commun, 7, 2016
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5D1Z
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![BU of 5d1z by Molmil](/molmil-images/mine/5d1z) | IsdB NEAT1 bound by clone D4-10 | Descriptor: | D4-10 Heavy Chain, D4-10 Light Chain, Iron-regulated surface determinant protein B, ... | Authors: | Deng, X. | Deposit date: | 2015-08-04 | Release date: | 2016-09-14 | Last modified: | 2016-12-07 | Method: | X-RAY DIFFRACTION (3.17 Å) | Cite: | Germline-encoded neutralization of a Staphylococcus aureus virulence factor by the human antibody repertoire. Nat Commun, 7, 2016
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6RJ5
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![BU of 6rj5 by Molmil](/molmil-images/mine/6rj5) | Crystal structure of PHGDH in complex with compound 39 | Descriptor: | 2-methyl-~{N}-[(1~{R})-1-[4-(methylsulfonylcarbamoyl)phenyl]ethyl]-5-phenyl-pyrazole-3-carboxamide, D-3-phosphoglycerate dehydrogenase, SULFATE ION | Authors: | Bader, G, Wolkerstorfer, B, Zoephel, A. | Deposit date: | 2019-04-26 | Release date: | 2019-08-07 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Intracellular Trapping of the Selective Phosphoglycerate Dehydrogenase (PHGDH) InhibitorBI-4924Disrupts Serine Biosynthesis. J.Med.Chem., 62, 2019
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7BJT
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![BU of 7bjt by Molmil](/molmil-images/mine/7bjt) | Structure-function analysis of a new PL17 oligoalginate lyase from the marine bacterium Zobellia galactanivorans DsijT | Descriptor: | Alginate lyase, family PL17, CALCIUM ION, ... | Authors: | Czjzek, M, Roret, T, Jouanneau, D, Le Duff, N, Jeudy, A. | Deposit date: | 2021-01-14 | Release date: | 2021-07-14 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Structure-function analysis of a new PL17 oligoalginate lyase from the marine bacterium Zobellia galactanivorans DsijT. Glycobiology, 31, 2021
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7BM6
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![BU of 7bm6 by Molmil](/molmil-images/mine/7bm6) | Structure-function analysis of a new PL17 oligoalginate lyase from the marine bacterium Zobellia galactanivorans DsijT | Descriptor: | 4-deoxy-alpha-L-erythro-hex-4-enopyranuronic acid-(1-4)-alpha-D-mannopyranuronic acid, Alginate lyase, family PL17, ... | Authors: | Czjzek, M, Roret, T, Jouanneau, D, Le Duff, N, Jeudy, A. | Deposit date: | 2021-01-19 | Release date: | 2021-07-14 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | Structure-function analysis of a new PL17 oligoalginate lyase from the marine bacterium Zobellia galactanivorans DsijT. Glycobiology, 31, 2021
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4IDJ
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![BU of 4idj by Molmil](/molmil-images/mine/4idj) | S.Aureus a-hemolysin monomer in complex with Fab | Descriptor: | Alpha-hemolysin, Fab Heavy chain, Fab Light chain, ... | Authors: | Strop, P. | Deposit date: | 2012-12-12 | Release date: | 2013-06-26 | Last modified: | 2021-05-26 | Method: | X-RAY DIFFRACTION (3.36 Å) | Cite: | Mechanism of Action and In Vivo Efficacy of a Human-Derived Antibody against Staphylococcus aureus alpha-Hemolysin. J.Mol.Biol., 425, 2013
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7QK0
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![BU of 7qk0 by Molmil](/molmil-images/mine/7qk0) | Crystal structure of human BCL6 BTB domain in complex with compound 12a | Descriptor: | (2~{S})-10-[[5-chloranyl-2-[(3~{S},5~{R})-3-methyl-5-oxidanyl-piperidin-1-yl]pyrimidin-4-yl]amino]-2-cyclopropyl-3,3-bis(fluoranyl)-7-methyl-2,4-dihydro-1~{H}-[1,4]oxazepino[2,3-c]quinolin-6-one, 1,2-ETHANEDIOL, B-cell lymphoma 6 protein, ... | Authors: | Gunnell, E.A, Le Bihan, Y.-V, van Montfort, R.L.M. | Deposit date: | 2021-12-17 | Release date: | 2022-06-15 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Improved Binding Affinity and Pharmacokinetics Enable Sustained Degradation of BCL6 In Vivo . J.Med.Chem., 65, 2022
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7A1X
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![BU of 7a1x by Molmil](/molmil-images/mine/7a1x) | KRASG12C GDP form in complex with Cpd1 | Descriptor: | 3-(imidazol-1-ylmethyl)-1~{H}-indole, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Mathieu, M, Steier, V. | Deposit date: | 2020-08-14 | Release date: | 2021-10-13 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.32 Å) | Cite: | KRAS G12C fragment screening renders new binding pockets. Small Gtpases, 13, 2022
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7A1W
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![BU of 7a1w by Molmil](/molmil-images/mine/7a1w) | KRASG12C GDP form in complex with Cpd3 | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, MAGNESIUM ION, ... | Authors: | Mathieu, M, Steier, V. | Deposit date: | 2020-08-14 | Release date: | 2021-10-13 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | KRAS G12C fragment screening renders new binding pockets. Small Gtpases, 13, 2022
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7A1Y
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![BU of 7a1y by Molmil](/molmil-images/mine/7a1y) | KRASG12C GDP form in complex with Cpd2 | Descriptor: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Mathieu, M, Steier, V. | Deposit date: | 2020-08-14 | Release date: | 2021-10-13 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.004 Å) | Cite: | KRAS G12C fragment screening renders new binding pockets. Small Gtpases, 13, 2022
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7A47
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![BU of 7a47 by Molmil](/molmil-images/mine/7a47) | KRASG12C GDP form in complex with Cpd4 | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, ~{N}-[3-bromanyl-2-(2-methylimidazol-1-yl)pyridin-4-yl]-3-[[3-bromanyl-2-(2-methylimidazol-1-yl)pyridin-4-yl]-propanoyl-amino]propanamide | Authors: | Bertrand, T, Steier, V. | Deposit date: | 2020-08-19 | Release date: | 2021-10-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | KRAS G12C fragment screening renders new binding pockets. Small Gtpases, 13, 2022
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8C78
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![BU of 8c78 by Molmil](/molmil-images/mine/8c78) | Crystal structure of human BCL6 BTB domain in complex with compound CCT374705 | Descriptor: | (2~{S})-10-[(3-chloranyl-2-fluoranyl-pyridin-4-yl)amino]-2-cyclopropyl-3,3-bis(fluoranyl)-7-methyl-2,4-dihydro-1~{H}-[1,4]oxazepino[2,3-c]quinolin-6-one, 1,2-ETHANEDIOL, B-cell lymphoma 6 protein, ... | Authors: | Le Bihan, Y.-V, van Montfort, R.L.M. | Deposit date: | 2023-01-13 | Release date: | 2023-04-26 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Discovery of an In Vivo Chemical Probe for BCL6 Inhibition by Optimization of Tricyclic Quinolinones. J.Med.Chem., 66, 2023
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6F6P
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6I8Z
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![BU of 6i8z by Molmil](/molmil-images/mine/6i8z) | Crystal structure of PTK2 in complex with BI-4464. | Descriptor: | 3-methoxy-~{N}-(1-methylpiperidin-1-ium-4-yl)-4-[[4-[(3-oxidanylidene-1,2-dihydroinden-4-yl)oxy]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide, Focal adhesion kinase 1 | Authors: | Bader, G, Zoephel, A. | Deposit date: | 2018-11-21 | Release date: | 2019-02-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Highly Selective PTK2 Proteolysis Targeting Chimeras to Probe Focal Adhesion Kinase Scaffolding Functions. J.Med.Chem., 62, 2019
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6CN5
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6CN6
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![BU of 6cn6 by Molmil](/molmil-images/mine/6cn6) | RORC2 LBD complexed with compound 34 | Descriptor: | 3-cyano-N-{3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1,4-dimethyl-1H-indol-5-yl}benzamide, Nuclear receptor ROR-gamma | Authors: | Kauppi, B, Vajdos, F. | Deposit date: | 2018-03-07 | Release date: | 2018-09-05 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Discovery of 3-Cyano- N-(3-(1-isobutyrylpiperidin-4-yl)-1-methyl-4-(trifluoromethyl)-1 H-pyrrolo[2,3- b]pyridin-5-yl)benzamide: A Potent, Selective, and Orally Bioavailable Retinoic Acid Receptor-Related Orphan Receptor C2 Inverse Agonist. J. Med. Chem., 61, 2018
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8RXX
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3KMN
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![BU of 3kmn by Molmil](/molmil-images/mine/3kmn) | Crystal Structure of the Human Apo GST Pi C47S/Y108V Double Mutant | Descriptor: | CALCIUM ION, CARBONATE ION, Glutathione S-transferase P, ... | Authors: | Parker, L.J. | Deposit date: | 2009-11-11 | Release date: | 2010-03-23 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Diuretic drug binding to human glutathione transferase P1-1: potential role of CYS101 revealed in the double mutant C47S/Y108V to be published
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6C2V
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![BU of 6c2v by Molmil](/molmil-images/mine/6c2v) | Solution structure of a phosphate-loop protein | Descriptor: | phosphate-loop protein | Authors: | Yang, F, Yang, W, Lin, Y.R, Romero Romero, M.L, Tawfik, D, Baker, D, Varani, G. | Deposit date: | 2018-01-09 | Release date: | 2018-11-21 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Simple yet functional phosphate-loop proteins. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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7U9O
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![BU of 7u9o by Molmil](/molmil-images/mine/7u9o) | SARS-CoV-2 spike trimer RBD in complex with Fab NE12 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, NE12 Fab heavy chain, NE12 Fab light chain, ... | Authors: | Tsybovsky, Y, Kwong, P.D, Farci, P. | Deposit date: | 2022-03-11 | Release date: | 2022-11-23 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Potent monoclonal antibodies neutralize Omicron sublineages and other SARS-CoV-2 variants. Cell Rep, 41, 2022
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7U9P
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![BU of 7u9p by Molmil](/molmil-images/mine/7u9p) | SARS-CoV-2 spike trimer RBD in complex with Fab NA8 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, NA8 Fab heavy chain, NA8 Fab light chain, ... | Authors: | Tsybovsky, Y, Kwong, P.D, Farci, P. | Deposit date: | 2022-03-11 | Release date: | 2022-11-23 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Potent monoclonal antibodies neutralize Omicron sublineages and other SARS-CoV-2 variants. Cell Rep, 41, 2022
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8SKQ
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6CWA
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