8Q28
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7TMG
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8DAC
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![BU of 8dac by Molmil](/molmil-images/mine/8dac) | Coevolved affibody-Z domain pair LL2.c22 | Descriptor: | Affibody LL2.FILV, GLYCEROL, Immunoglobulin G-binding protein A | Authors: | Jude, K.M, Yang, A, Garcia, K.C. | Deposit date: | 2022-06-13 | Release date: | 2023-07-26 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.19 Å) | Cite: | Deploying synthetic coevolution and machine learning to engineer protein-protein interactions. Science, 381, 2023
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6MRV
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![BU of 6mrv by Molmil](/molmil-images/mine/6mrv) | Sialidase26 co-crystallized with DANA | Descriptor: | 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID, Sialidase26 | Authors: | Zaramela, L.S, Martino, C, Alisson-Silva, F, Rees, S.D, Diaz, S.L, Chuzel, L, Ganatra, M.B, Taron, C.H, Zuniga, C, Chang, G, Varki, A, Zengler, K. | Deposit date: | 2018-10-15 | Release date: | 2019-10-02 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Gut bacteria responding to dietary change encode sialidases that exhibit preference for red meat-associated carbohydrates. Nat Microbiol, 4, 2019
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7P7D
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![BU of 7p7d by Molmil](/molmil-images/mine/7p7d) | Rabbit muscle Glycogen Phosphorylase T state | Descriptor: | DIMETHYL SULFOXIDE, Glycogen phosphorylase, muscle form | Authors: | Stravodimos, G.A, Leonidas, D.D. | Deposit date: | 2021-07-19 | Release date: | 2021-07-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Glycogen phosphorylase revisited: extending the resolution of the R- and T-state structures of the free enzyme and in complex with allosteric activators. Acta Crystallogr.,Sect.F, 77, 2021
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8PMI
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![BU of 8pmi by Molmil](/molmil-images/mine/8pmi) | Structure of Nal1 indica cultivar IR64, construct 36-458 in presence of peptide from FZP protein | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, AMMONIUM ION, MAGNESIUM ION, ... | Authors: | Huang, L.Y, Rety, S, Xi, X.G. | Deposit date: | 2023-06-28 | Release date: | 2024-04-17 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.83 Å) | Cite: | The catalytic triad of rice NARROW LEAF1 involves H234. Nat.Plants, 10, 2024
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6V3N
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![BU of 6v3n by Molmil](/molmil-images/mine/6v3n) | Crystal structure of CDYL2 in complex with H3K27me3 | Descriptor: | ACE-GLN-LEU-ALA-THR-LYS-ALA-ALA-ARG-M3L-SER-ALA-PRO-ALA-THR-TYR-NH2, Chromodomain Y-like protein 2, UNKNOWN ATOM OR ION | Authors: | Qin, S, Tempel, W, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Min, J, Structural Genomics Consortium, Structural Genomics Consortium (SGC) | Deposit date: | 2019-11-26 | Release date: | 2020-04-01 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural Basis for the Binding Selectivity of Human CDY Chromodomains. Cell Chem Biol, 27, 2020
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7OM9
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7TOB
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![BU of 7tob by Molmil](/molmil-images/mine/7tob) | Crystal structure of the SARS-CoV-2 Omicron main protease (Mpro) in complex with inhibitor GC376 | Descriptor: | (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5, DI(HYDROXYETHYL)ETHER | Authors: | Sacco, M.D, Wang, J, Chen, Y. | Deposit date: | 2022-01-24 | Release date: | 2022-02-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | The P132H mutation in the main protease of Omicron SARS-CoV-2 decreases thermal stability without compromising catalysis or small-molecule drug inhibition. Cell Res., 32, 2022
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7OSZ
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![BU of 7osz by Molmil](/molmil-images/mine/7osz) | Human Prolyl-tRNA Synthetase in Complex with L-proline and Compound 4d | Descriptor: | 3-[(2-methylphenyl)methylamino]pyrazine-2-carboxamide, Bifunctional glutamate/proline--tRNA ligase, PROLINE, ... | Authors: | Pang, L, Zitko, J, Strelkov, S.V, Weeks, S.D. | Deposit date: | 2021-06-09 | Release date: | 2021-07-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.46 Å) | Cite: | Towards Novel 3-Aminopyrazinamide-Based Prolyl-tRNA Synthetase Inhibitors: In Silico Modelling, Thermal Shift Assay and Structural Studies. Int J Mol Sci, 22, 2021
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7TQ5
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![BU of 7tq5 by Molmil](/molmil-images/mine/7tq5) | Structure of SARS-CoV-2 3CL protease in complex with the cyclopropane based inhibitor 10d | Descriptor: | (1R,2S)-1-hydroxy-2-{[N-({[(1R,2R)-2-(4-methoxyphenyl)cyclopropyl]methoxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-1-hydroxy-2-{[N-({[(1R,2R)-2-(4-methoxyphenyl)cyclopropyl]methoxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase, ... | Authors: | Lovell, S, Liu, L, Battaile, K.P, Nguyen, H.N, Chamandi, S.D, Picard, H.R, Madden, T.K, Thruman, H.A, Kim, Y, Groutas, W.C, Chang, K.O. | Deposit date: | 2022-01-26 | Release date: | 2022-02-09 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Broad-Spectrum Cyclopropane-Based Inhibitors of Coronavirus 3C-like Proteases: Biochemical, Structural, and Virological Studies. Acs Pharmacol Transl Sci, 6, 2023
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5ADL
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![BU of 5adl by Molmil](/molmil-images/mine/5adl) | Structure of bovine endothelial nitric oxide synthase heme domain in complex with 7-((3-(Methylamino)methyl)phenoxy)methyl)quinolin-2- amine | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[[3-(methylaminomethyl)phenoxy]methyl]quinolin-2-amine, ACETATE ION, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2015-08-20 | Release date: | 2015-10-28 | Last modified: | 2015-11-25 | Method: | X-RAY DIFFRACTION (2.205 Å) | Cite: | Phenyl Ether- and Aniline-Containing 2-Aminoquinolines as Potent and Selective Inhibitors of Neuronal Nitric Oxide Synthase. J.Med.Chem., 58, 2015
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7OT0
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![BU of 7ot0 by Molmil](/molmil-images/mine/7ot0) | Human Prolyl-tRNA Synthetase in Complex with L-proline and Compound 4h | Descriptor: | 3-[(2-chlorophenyl)methylamino]pyrazine-2-carboxamide, Bifunctional glutamate/proline--tRNA ligase, PROLINE, ... | Authors: | Pang, L, Zitko, J, Strelkov, S.V, Weeks, S.D. | Deposit date: | 2021-06-09 | Release date: | 2021-07-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | Towards Novel 3-Aminopyrazinamide-Based Prolyl-tRNA Synthetase Inhibitors: In Silico Modelling, Thermal Shift Assay and Structural Studies. Int J Mol Sci, 22, 2021
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7OSY
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![BU of 7osy by Molmil](/molmil-images/mine/7osy) | Human Prolyl-tRNA Synthetase in Complex with L-proline | Descriptor: | Bifunctional glutamate/proline--tRNA ligase, PROLINE, STRONTIUM ION, ... | Authors: | Pang, L, Zitko, J, Strelkov, S.V, Weeks, S.D. | Deposit date: | 2021-06-09 | Release date: | 2021-07-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | Towards Novel 3-Aminopyrazinamide-Based Prolyl-tRNA Synthetase Inhibitors: In Silico Modelling, Thermal Shift Assay and Structural Studies. Int J Mol Sci, 22, 2021
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8DAA
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![BU of 8daa by Molmil](/molmil-images/mine/8daa) | Coevolved affibody-Z domain pair LL2.c7 | Descriptor: | Affibody LL2.FIVK, Immunoglobulin G-binding protein A, MALONATE ION | Authors: | Jude, K.M, Yang, A, Garcia, K.C. | Deposit date: | 2022-06-13 | Release date: | 2023-07-26 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Deploying synthetic coevolution and machine learning to engineer protein-protein interactions. Science, 381, 2023
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7TN0
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![BU of 7tn0 by Molmil](/molmil-images/mine/7tn0) | SARS-CoV-2 Omicron RBD in complex with human ACE2 and S304 Fab and S309 Fab | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ... | Authors: | McCallum, M, Czudnochowski, N, Nix, J.C, Croll, T.I, SSGCID, Dillen, J.R, Snell, G, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | Deposit date: | 2022-01-20 | Release date: | 2022-02-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Structural basis of SARS-CoV-2 Omicron immune evasion and receptor engagement. Science, 375, 2022
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6MP5
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6V66
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![BU of 6v66 by Molmil](/molmil-images/mine/6v66) | EGFR(T790M/V948R) in complex with LN2899 | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Epidermal growth factor receptor, ... | Authors: | Heppner, D.E, Eck, M.J. | Deposit date: | 2019-12-04 | Release date: | 2020-04-22 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Structural Basis for EGFR Mutant Inhibition by Trisubstituted Imidazole Inhibitors. J.Med.Chem., 63, 2020
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7OM6
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8Q9R
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![BU of 8q9r by Molmil](/molmil-images/mine/8q9r) | Crystal structure of MADS-box/MEF2D N-terminal domain bound to dsDNA and HDAC9 deacetylase binding motif | Descriptor: | Histone deacetylase 9 (HDAC9) binding motif peptide: EVKQKLQEFLLSKS, MADS box dsDNA: AACTATTTATAAGA, MADS box dsDNA: TCTTATAAATAGT, ... | Authors: | Chinellato, M, Carli, A, Perin, S, Mazzoccato, Y, Di Giorgio, E, Brancolini, C, Angelini, A, Cendron, L. | Deposit date: | 2023-08-20 | Release date: | 2024-04-17 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Folding of Class IIa HDAC Derived Peptides into alpha-helices Upon Binding to Myocyte Enhancer Factor-2 in Complex with DNA. J.Mol.Biol., 436, 2024
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8DAB
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![BU of 8dab by Molmil](/molmil-images/mine/8dab) | Coevolved affibody-Z domain pair LL2.c17 | Descriptor: | Affibody LL2.IVVY, Immunoglobulin G-binding protein A | Authors: | Jude, K.M, Yang, A, Garcia, K.C. | Deposit date: | 2022-06-13 | Release date: | 2023-07-26 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.134 Å) | Cite: | Deploying synthetic coevolution and machine learning to engineer protein-protein interactions. Science, 381, 2023
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7OT1
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![BU of 7ot1 by Molmil](/molmil-images/mine/7ot1) | Human Prolyl-tRNA Synthetase in Complex with L-proline and Compound 3c | Descriptor: | Bifunctional glutamate/proline--tRNA ligase, PROLINE, STRONTIUM ION, ... | Authors: | Pang, L, Zitko, J, Strelkov, S.V, Weeks, S.D. | Deposit date: | 2021-06-09 | Release date: | 2021-07-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.71 Å) | Cite: | Towards Novel 3-Aminopyrazinamide-Based Prolyl-tRNA Synthetase Inhibitors: In Silico Modelling, Thermal Shift Assay and Structural Studies. Int J Mol Sci, 22, 2021
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8CRH
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![BU of 8crh by Molmil](/molmil-images/mine/8crh) | Crystal structure of Candida auris dihydrofolate reductase complexed with NADPH and cycloguanil | Descriptor: | 5-(4-chlorophenyl)-6,6-dimethyl-1,4-dihydro-1,3,5-triazine-2,4-diamine, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Kirkman, T.J, Dias, M.V.B. | Deposit date: | 2023-03-08 | Release date: | 2023-08-02 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Crystal structure of dihydrofolate reductase from the emerging pathogenic fungus Candida auris. Acta Crystallogr D Struct Biol, 79, 2023
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6AXX
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5AHS
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![BU of 5ahs by Molmil](/molmil-images/mine/5ahs) | 3-Sulfinopropionyl-Coenzyme A (3SP-CoA) desulfinase from Advenella mimgardefordensis DPN7T: holo crystal structure with the substrate analog succinyl-CoA | Descriptor: | ACYL-COA DEHYDROGENASE, COENZYME A, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Cianci, M, Schuermann, M, Meijers, R, Schneider, T.R, Steinbuechel, A. | Deposit date: | 2015-02-06 | Release date: | 2015-06-03 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | 3-Sulfinopropionyl-Coenzyme a (3Sp-Coa) Desulfinase from Advenella Mimigardefordensis Dpn7(T): Crystal Structure and Function of a Desulfinase with an Acyl-Coa Dehydrogenase Fold. Acta Crystallogr.,Sect.D, 71, 2015
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