7AK8
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![BU of 7ak8 by Molmil](/molmil-images/mine/7ak8) | Structure of Salmonella TacT1 toxin bound to TacA1 antitoxin C-terminal peptide | Descriptor: | ACETYL COENZYME *A, GCN5 family acetyltransferase, GLYCEROL, ... | Authors: | Grabe, G.J, Morgan, R.M.L, Helaine, S, Hare, S.A. | Deposit date: | 2020-09-30 | Release date: | 2021-08-18 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Auxiliary interfaces support the evolution of specific toxin-antitoxin pairing. Nat.Chem.Biol., 17, 2021
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6UXR
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![BU of 6uxr by Molmil](/molmil-images/mine/6uxr) | Crystal structure of BAK core domain BH3-groove-dimer in complex with LysoPC | Descriptor: | Bcl-2 homologous antagonist/killer, TETRAETHYLENE GLYCOL, TRIETHYLENE GLYCOL, ... | Authors: | Cowan, A.D, Colman, P.M, Czabotar, P.E. | Deposit date: | 2019-11-07 | Release date: | 2020-09-02 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | BAK core dimers bind lipids and can be bridged by them. Nat.Struct.Mol.Biol., 27, 2020
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6UYA
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![BU of 6uya by Molmil](/molmil-images/mine/6uya) | Crystal structure of Compound 19 bound to IRAK4 | Descriptor: | Interleukin-1 receptor-associated kinase 4, N-{2-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-(morpholin-4-yl)-1-oxo-2,3-dihydro-1H-isoindol-5-yl}pyrazolo[1,5-a]pyrimidine-3-carboxamide, SULFATE ION | Authors: | Kiefer, J.R, Bryan, M.C, Lupardus, P.J, Zarrin, A.A, Rajapaksa, N.S, Gobbi, A, Drobnick, J, Kolesnikov, A, Liang, J, Do, S. | Deposit date: | 2019-11-12 | Release date: | 2019-11-20 | Last modified: | 2020-04-01 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Discovery of Potent Benzolactam IRAK4 Inhibitors with Robust in Vivo Activity. Acs Med.Chem.Lett., 11, 2020
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6VEI
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![BU of 6vei by Molmil](/molmil-images/mine/6vei) | Crystal Structure of Human Cytosolic Isocitrate Dehydrogenase (IDH1) R132H Mutant in Complex with NADPH and AG-881 (Vorasidenib) Inhibitor | Descriptor: | 3,6,9,12,15,18,21,24,27,30,33,36-dodecaoxaoctatriacontane-1,38-diol, 6-(6-chloropyridin-2-yl)-N2,N4-bis[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine, ACETATE ION, ... | Authors: | Padyana, A, Jin, L. | Deposit date: | 2020-01-02 | Release date: | 2020-02-05 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Vorasidenib (AG-881): A First-in-Class, Brain-Penetrant Dual Inhibitor of Mutant IDH1 and 2 for Treatment of Glioma. Acs Med.Chem.Lett., 11, 2020
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5MAB
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![BU of 5mab by Molmil](/molmil-images/mine/5mab) | FoxE P3121 crystal structure of Rhodopseudomonas ferrooxidans SW2 putative iron oxidase | Descriptor: | COPPER (II) ION, FoxE, HEME C, ... | Authors: | Pereira, L, Saraiva, I.H, Oliveira, A.S, Soares, C, Gomes, R.O, Frazao, C. | Deposit date: | 2016-11-03 | Release date: | 2017-12-20 | Method: | X-RAY DIFFRACTION (2.436 Å) | Cite: | FoxE P3121 crystal structure of Rhodopseudomonas ferrooxidans SW2 putative iron oxidase To be published
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7ATP
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7AYV
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![BU of 7ayv by Molmil](/molmil-images/mine/7ayv) | X-ray crystallographic structure of (6-4)photolyase from Drosophila melanogaster at cryogenic temperature | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, RE11660p, ... | Authors: | Cellini, A, Wahlgren, W.Y, Henry, L, Westenhoff, S. | Deposit date: | 2020-11-13 | Release date: | 2021-08-18 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | The three-dimensional structure of Drosophila melanogaster (6-4) photolyase at room temperature. Acta Crystallogr D Struct Biol, 77, 2021
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7AS6
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![BU of 7as6 by Molmil](/molmil-images/mine/7as6) | 2.0 angstrom structure of plant Extended Synaptotagmin 1, C2A domain | Descriptor: | 1,2-ETHANEDIOL, CADMIUM ION, CHLORIDE ION, ... | Authors: | Benavente, J.L, Albert, A. | Deposit date: | 2020-10-27 | Release date: | 2021-08-18 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The structure and flexibility analysis of the Arabidopsis synaptotagmin 1 reveal the basis of its regulation at membrane contact sites. Life Sci Alliance, 4, 2021
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6VFX
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![BU of 6vfx by Molmil](/molmil-images/mine/6vfx) | ClpXP from Neisseria meningitidis - Conformation B | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP-dependent Clp protease ATP-binding subunit ClpX, ... | Authors: | Ripstein, Z.A, Vahidi, S, Houry, W.A, Rubinstein, J.L, Kay, L.E. | Deposit date: | 2020-01-06 | Release date: | 2020-01-22 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | A processive rotary mechanism couples substrate unfolding and proteolysis in the ClpXP degradation machinery. Elife, 9, 2020
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7B5T
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![BU of 7b5t by Molmil](/molmil-images/mine/7b5t) | S. agalactiae BusR transcription factor | Descriptor: | GntR family transcriptional regulator | Authors: | Bandera, A.M, Witte, G. | Deposit date: | 2020-12-07 | Release date: | 2021-08-11 | Last modified: | 2021-10-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | BusR senses bipartite DNA binding motifs by a unique molecular ruler architecture. Nucleic Acids Res., 49, 2021
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6YNH
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![BU of 6ynh by Molmil](/molmil-images/mine/6ynh) | GAPDH purified from the supernatant of HEK293F cells: crystal form 4 of 4 | Descriptor: | 3,6,9,12,15,18,21,24,27-NONAOXANONACOSANE-1,29-DIOL, Glyceraldehyde-3-phosphate dehydrogenase | Authors: | Roversi, P, Lia, A. | Deposit date: | 2020-04-13 | Release date: | 2020-05-06 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.621 Å) | Cite: | Partial catalytic Cys oxidation of human GAPDH to Cys-sulfonic acid. Wellcome Open Res, 5, 2020
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8CJK
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![BU of 8cjk by Molmil](/molmil-images/mine/8cjk) | Crystal structure of human tryptophan hydroxylase 1 in complex with inhibitor KM-06-098 | Descriptor: | 3-ethyl-8-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-7-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]purine-2,6-dione, FE (III) ION, Tryptophan 5-hydroxylase 1 | Authors: | Schuetz, A, Mallow, K, Nazare, M, Specker, E, Heinemann, U. | Deposit date: | 2023-02-13 | Release date: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.45914972 Å) | Cite: | Structure-Based Design of Xanthine-Imidazopyridines and -Imidazothiazoles as Highly Potent and In Vivo Efficacious Tryptophan Hydroxylase Inhibitors. J.Med.Chem., 66, 2023
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6SNZ
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![BU of 6snz by Molmil](/molmil-images/mine/6snz) | Crystal structure of lamin A coil1b tetramer | Descriptor: | GLYCEROL, Prelamin-A/C | Authors: | Lilina, A.V, Chernyatina, A.A, Guzenko, D, Strelkov, S.V. | Deposit date: | 2019-08-28 | Release date: | 2019-10-23 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Lateral A11type tetramerization in lamins. J.Struct.Biol., 209, 2020
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6YPR
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![BU of 6ypr by Molmil](/molmil-images/mine/6ypr) | Human histidine triad nucleotide-binding protein 2 (hHINT2) refined to 1.26 A in H32 space group | Descriptor: | GLYCEROL, Histidine triad nucleotide-binding protein 2, mitochondrial | Authors: | Dolot, R.D, Wlodarczyk, A, Bujacz, G.D, Nawrot, B.C. | Deposit date: | 2020-04-16 | Release date: | 2020-04-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.26 Å) | Cite: | Biochemical, crystallographic and biophysical characterization of histidine triad nucleotide-binding protein 2 with different ligands including a non-hydrolyzable analog of Ap4A. Biochim Biophys Acta Gen Subj, 1865, 2021
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6SDA
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![BU of 6sda by Molmil](/molmil-images/mine/6sda) | Bd2924 C10 acyl-coenzymeA bound form | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Probable acyl-CoA dehydrogenase, decanoyl-CoA | Authors: | Lovering, A.L, Harding, C.J. | Deposit date: | 2019-07-26 | Release date: | 2019-09-11 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Target highlights in CASP13: Experimental target structures through the eyes of their authors. Proteins, 87, 2019
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6YG5
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![BU of 6yg5 by Molmil](/molmil-images/mine/6yg5) | |
8CAY
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![BU of 8cay by Molmil](/molmil-images/mine/8cay) | PBP AccA from A. tumefaciens Bo542 in complex with Agrocinopine D-like | Descriptor: | Agrocinopine D-like (C2-C2 linked; with an alpha and beta-D-glucopyranose), Agrocinopine D-like (C2-C2 linked; with two alpha-D-glucopyranoses), Agrocinopine utilization periplasmic binding protein AccA, ... | Authors: | Morera, S, Vigouroux, A, Siragu, S. | Deposit date: | 2023-01-24 | Release date: | 2024-01-24 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.626 Å) | Cite: | A highly conserved ligand-binding site for AccA transporters of antibiotic and quorum-sensing regulator in Agrobacterium leads to a different specificity. Biochem.J., 481, 2024
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8C63
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![BU of 8c63 by Molmil](/molmil-images/mine/8c63) | Crystal structure of arsenoplatin-1/B-DNA adduct obtained upon 4 h of soaking | Descriptor: | DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), MAGNESIUM ION, PLATINUM (II) ION, ... | Authors: | Troisi, R, Tito, G, Ferraro, G, Sica, F, Merlino, A. | Deposit date: | 2023-01-11 | Release date: | 2024-01-31 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | On the mechanism of action of arsenoplatins: arsenoplatin-1 binding to a B-DNA dodecamer. Dalton Trans, 53, 2024
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6V2L
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![BU of 6v2l by Molmil](/molmil-images/mine/6v2l) | E. coli Phosphoenolpyruvate carboxykinase S250A | Descriptor: | ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, MANGANESE (II) ION, ... | Authors: | Sokaribo, A.S, Goldie, H, Sanders, D. | Deposit date: | 2019-11-25 | Release date: | 2019-12-11 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Kinetic and structural analysis of Escherichia coli phosphoenolpyruvate carboxykinase mutants. Biochim Biophys Acta Gen Subj, 1864, 2020
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7AWI
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![BU of 7awi by Molmil](/molmil-images/mine/7awi) | Crystal structure of human butyrylcholinesterase in complex with tert-butyl 3-(((2-((1-benzyl-1H-indol-4-yl)oxy)ethyl)amino)methyl]piperidine-1-carboxylate | Descriptor: | 2-((1-benzyl-1H-indol-4-yl)oxy)-N-((1-(tert-butoxycarbonyl)piperidin-3-yl)methyl)ethan-1-aminium, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Brazzolotto, X, Goral, I, Wieckowska, A. | Deposit date: | 2020-11-08 | Release date: | 2021-09-29 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Development and crystallography-aided SAR studies of multifunctional BuChE inhibitors and 5-HT 6 R antagonists with beta-amyloid anti-aggregation properties. Eur.J.Med.Chem., 225, 2021
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5MHI
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![BU of 5mhi by Molmil](/molmil-images/mine/5mhi) | |
6MGR
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![BU of 6mgr by Molmil](/molmil-images/mine/6mgr) | Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase from Campylobacter jejuni in the complex with inhibitor Oxanosine monophosphate | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 5-[(Z)-(aminomethylidene)amino]-1-(5-O-phosphono-beta-D-ribofuranosyl)-1H-imidazole-4-carboxylic acid, CHLORIDE ION, ... | Authors: | Kim, Y, Maltseva, N, Yu, R, Hedstrom, L, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2018-09-14 | Release date: | 2018-10-24 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase from Campylobacter jejuni in the complex with inhibitor Oxanosine Monophosphate To Be Published
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8PQK
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7AWH
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![BU of 7awh by Molmil](/molmil-images/mine/7awh) | Crystal structure of human butyrylcholinesterase in complex with tert-butyl 3-(((2-((1-(benzenesulfonyl)-1H-indol-4-yl)oxy)ethyl)amino)methyl)piperidine-1-carboxylate | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Brazzolotto, X, Wichur, T, Wieckowska, A. | Deposit date: | 2020-11-08 | Release date: | 2021-09-29 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Development and crystallography-aided SAR studies of multifunctional BuChE inhibitors and 5-HT 6 R antagonists with beta-amyloid anti-aggregation properties. Eur.J.Med.Chem., 225, 2021
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8C6U
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![BU of 8c6u by Molmil](/molmil-images/mine/8c6u) | PBP AccA-G145YG440Q mutant from A. tumefaciens Bo542 in apoform 4 | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Agrocinopine utilization periplasmic binding protein AccA, ... | Authors: | Morera, S, Vigouroux, A, Legrand, P. | Deposit date: | 2023-01-12 | Release date: | 2024-01-24 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.843 Å) | Cite: | A highly conserved ligand-binding site for AccA transporters of antibiotic and quorum-sensing regulator in Agrobacterium leads to a different specificity. Biochem.J., 481, 2024
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