6CZE
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![BU of 6cze by Molmil](/molmil-images/mine/6cze) | Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with inosine triphosphate (ITP) - promiscuous binding mode with disordered nucleoside | Descriptor: | ATP-dependent dethiobiotin synthetase BioD, INOSINE 5'-TRIPHOSPHATE, MAGNESIUM ION | Authors: | Thompson, A.P, Wegener, K.L, Bruning, J.B, Polyak, S.W. | Deposit date: | 2018-04-09 | Release date: | 2018-11-21 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Mycobacterium tuberculosis Dethiobiotin Synthetase Facilitates Nucleoside Triphosphate Promiscuity through Alternate Binding Modes Acs Catalysis, 8(11), 2018
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6I8B
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![BU of 6i8b by Molmil](/molmil-images/mine/6i8b) | Crystal structure of Spindlin1 in complex with the inhibitor VinSpinIn | Descriptor: | 2-[4-[2-[[2-[3-[2-azanyl-5-(cyclopropylmethoxy)-3,3-dimethyl-indol-6-yl]oxypropyl]-1,3-dihydroisoindol-5-yl]oxy]ethyl]-1,2,3-triazol-1-yl]-1-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethanone, DIMETHYL SULFOXIDE, GLYCINE, ... | Authors: | Johansson, C, Fagan, V, Brennan, P.E, Sorrell, F.J, Krojer, T, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U.C.T. | Deposit date: | 2018-11-19 | Release date: | 2018-12-05 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | A Chemical Probe for Tudor Domain Protein Spindlin1 to Investigate Chromatin Function. J.Med.Chem., 62, 2019
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6I98
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6CVF
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![BU of 6cvf by Molmil](/molmil-images/mine/6cvf) | Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with cytidine diphosphate | Descriptor: | ATP-dependent dethiobiotin synthetase BioD, CYTIDINE-5'-DIPHOSPHATE, MAGNESIUM ION | Authors: | Thompson, A.P, Bruning, J.B, Wegener, K.L, Polyak, S.W. | Deposit date: | 2018-03-28 | Release date: | 2018-11-21 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Mycobacterium tuberculosis Dethiobiotin Synthetase Facilitates Nucleoside Triphosphate Promiscuity through Alternate Binding Modes Acs Catalysis, 8(11), 2018
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6CZB
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![BU of 6czb by Molmil](/molmil-images/mine/6czb) | Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with uridine triphosphate (UTP) - promiscuous binding mode with disordered nucleoside | Descriptor: | ATP-dependent dethiobiotin synthetase BioD, MAGNESIUM ION, URIDINE 5'-TRIPHOSPHATE | Authors: | Thompson, A.P, Wegener, K.L, Bruning, J.B, Polyak, S.W. | Deposit date: | 2018-04-09 | Release date: | 2018-11-21 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Mycobacterium tuberculosis Dethiobiotin Synthetase Facilitates Nucleoside Triphosphate Promiscuity through Alternate Binding Modes Acs Catalysis, 8(11), 2018
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6CLV
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![BU of 6clv by Molmil](/molmil-images/mine/6clv) | Staphylococcus aureus Dihydropteroate Synthase (saDHPS) F17L E208K double mutant structure | Descriptor: | 4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzene-1-sulfonamide, Dihydropteroate synthase | Authors: | Gajewski, S, Griffith, E.C, Wu, Y, White, S.W. | Deposit date: | 2018-03-02 | Release date: | 2018-08-22 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The Structural and Functional Basis for Recurring Sulfa Drug Resistance Mutations inStaphylococcus aureusDihydropteroate Synthase. Front Microbiol, 9, 2018
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6CVU
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![BU of 6cvu by Molmil](/molmil-images/mine/6cvu) | Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with cytidine | Descriptor: | 4-AMINO-1-BETA-D-RIBOFURANOSYL-2(1H)-PYRIMIDINONE, ATP-dependent dethiobiotin synthetase BioD, SULFATE ION | Authors: | Thompson, A.P, Wegener, K.L, Bruning, J.B, Polyak, S.W. | Deposit date: | 2018-03-28 | Release date: | 2018-11-21 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.426 Å) | Cite: | Mycobacterium tuberculosis Dethiobiotin Synthetase Facilitates Nucleoside Triphosphate Promiscuity through Alternate Binding Modes Acs Catalysis, 8(11), 2018
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6CUV
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![BU of 6cuv by Molmil](/molmil-images/mine/6cuv) | Engineered Holo TrpB from Pyrococcus furiosus, PfTrpB7E6 | Descriptor: | PHOSPHATE ION, SODIUM ION, Tryptophan synthase beta chain 1 | Authors: | Scheele, R.A, Buller, A.R, Boville, C.E, Arnold, F.H. | Deposit date: | 2018-03-26 | Release date: | 2018-09-26 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Engineered Biosynthesis of beta-Alkyl Tryptophan Analogues. Angew. Chem. Int. Ed. Engl., 57, 2018
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6CWJ
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![BU of 6cwj by Molmil](/molmil-images/mine/6cwj) | Crystal structures of cyanuric acid hydrolase from Moorella thermoacetica complexed with 1,3-Acetone Dicarboxylic Acid | Descriptor: | 1,3-PROPANDIOL, 3-oxopentanedioic acid, ACETATE ION, ... | Authors: | Shi, K, Aihara, H. | Deposit date: | 2018-03-30 | Release date: | 2019-06-12 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.253 Å) | Cite: | Crystal structures of Moorella thermoacetica cyanuric acid hydrolase reveal conformational flexibility and asymmetry important for catalysis. Plos One, 14, 2019
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6D3K
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![BU of 6d3k by Molmil](/molmil-images/mine/6d3k) | Crystal structure of unphosphorylated human PKR kinase domain in complex with ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Interferon-induced, double-stranded RNA-activated protein kinase, ... | Authors: | Erlandsen, H, Mayo, C.B, Robinson, V.L, Cole, J.L. | Deposit date: | 2018-04-16 | Release date: | 2019-07-10 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural Basis of Protein Kinase R Autophosphorylation. Biochemistry, 58, 2019
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6D9E
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6D4K
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7OLI
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![BU of 7oli by Molmil](/molmil-images/mine/7oli) | Crystal structure of Pab-AGOG in complex with 8-oxoguanosine | Descriptor: | 1,2-ETHANEDIOL, 2'-DEOXY-8-OXOGUANOSINE, N-glycosylase/DNA lyase | Authors: | Coste, F, Goffinont, S, Flament, D, Castaing, B. | Deposit date: | 2021-05-20 | Release date: | 2022-06-01 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structural and functional determinants of the archaeal 8-oxoguanine-DNA glycosylase AGOG for DNA damage recognition and processing. Nucleic Acids Res., 50, 2022
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7OME
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7P9I
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![BU of 7p9i by Molmil](/molmil-images/mine/7p9i) | Structure of E.coli RlmJ in complex with an RNA conjugate (GAA-SAM) | Descriptor: | 5'-{[(3S)-3-amino-3-carboxypropyl](3-aminopropyl)amino}-5'-deoxyadenosine, RNA conjugate (GAA-SAM), Ribosomal RNA large subunit methyltransferase J | Authors: | Meynier, V, Catala, M, Oerum, S, Barraud, P, Tisne, C. | Deposit date: | 2021-07-27 | Release date: | 2022-06-01 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.594 Å) | Cite: | Synthesis of RNA-cofactor conjugates and structural exploration of RNA recognition by an m6A RNA methyltransferase. Nucleic Acids Res., 50, 2022
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6Z9V
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![BU of 6z9v by Molmil](/molmil-images/mine/6z9v) | Human Class I Major Histocompatibility Complex, A02 allele, presenting IIGWMWIPV | Descriptor: | 1,2-ETHANEDIOL, 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, ... | Authors: | Rizkallah, P.J, Man, S, Redman, J.E. | Deposit date: | 2020-06-04 | Release date: | 2021-06-30 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Synthetic Peptides with Inadvertent Chemical Modifications Can Activate Potentially Autoreactive T Cells. J Immunol., 207, 2021
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6Z9X
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![BU of 6z9x by Molmil](/molmil-images/mine/6z9x) | Human Class I Major Histocompatibility Complex, A02 allele, presenting LLS (t-butyl)Y FGTPT | Descriptor: | Beta-2-microglobulin, LEU-LEU-SER-TUR-PHE-GLY-THR-PRO-THR, MHC class I antigen, ... | Authors: | Rizkallah, P.J, Man, S, Redman, J.E. | Deposit date: | 2020-06-04 | Release date: | 2021-06-30 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (2.68 Å) | Cite: | Synthetic Peptides with Inadvertent Chemical Modifications Can Activate Potentially Autoreactive T Cells. J Immunol., 207, 2021
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6ZC5
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![BU of 6zc5 by Molmil](/molmil-images/mine/6zc5) | Human Adenovirus serotype D10 FiberKnob protein | Descriptor: | Fiber | Authors: | Baker, A.T, Mundy, R.M, Rizkallah, P.J, Parker, A.L. | Deposit date: | 2020-06-09 | Release date: | 2021-06-30 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Development of a low-seroprevalence, alpha v beta 6 integrin-selective virotherapy based on human adenovirus type 10. Mol Ther Oncolytics, 25, 2022
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6Z9W
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![BU of 6z9w by Molmil](/molmil-images/mine/6z9w) | Human Class I Major Histocompatibility Complex, A02 allele, presenting LLGWVFAQV | Descriptor: | Beta-2-microglobulin, LEU-LEU-GLY-TRP-VAL-PHE-ALA-GLN-VAL, MHC class I antigen | Authors: | Rizkallah, P.J, Man, S, Redman, J.E. | Deposit date: | 2020-06-04 | Release date: | 2021-06-30 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Synthetic Peptides with Inadvertent Chemical Modifications Can Activate Potentially Autoreactive T Cells. J Immunol., 207, 2021
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6KKL
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![BU of 6kkl by Molmil](/molmil-images/mine/6kkl) | Crystal structure of Drug:Proton Antiporter-1 (DHA1) Family SotB, in the inward conformation (H115N mutant) | Descriptor: | Sugar efflux transporter, nonyl beta-D-glucopyranoside | Authors: | Xiao, Q.J, Sun, B, Zuo, Y.X, Guo, L, He, J.H, Deng, D. | Deposit date: | 2019-07-26 | Release date: | 2020-07-29 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.654 Å) | Cite: | Visualizing the nonlinear changes of a drug-proton antiporter from inward-open to occluded state. Biochem.Biophys.Res.Commun., 534, 2021
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2YMV
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![BU of 2ymv by Molmil](/molmil-images/mine/2ymv) | Structure of Reduced M Smegmatis 5246, a homologue of M.Tuberculosis Acg | Descriptor: | 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, ACETATE ION, ACG NITROREDUCTASE, ... | Authors: | Chauviac, F.-X, Bommer, M, Dobbek, H, Keep, N.H. | Deposit date: | 2012-10-10 | Release date: | 2012-11-21 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal Structure of Reduced Msacg, a Putative Nitroreductase from Mycobacterium Smegmatis and a Close Homologue of Mycobacterium Tuberculosis Acg. J.Biol.Chem., 287, 2012
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2YPT
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![BU of 2ypt by Molmil](/molmil-images/mine/2ypt) | Crystal structure of the human nuclear membrane zinc metalloprotease ZMPSTE24 mutant (E336A) in complex with a synthetic CSIM tetrapeptide from the C-terminus of prelamin A | Descriptor: | CAAX PRENYL PROTEASE 1 HOMOLOG, PRELAMIN-A/C, ZINC ION | Authors: | Pike, A.C.W, Dong, Y.Y, Quigley, A, Dong, L, Savitsky, P, Cooper, C.D.O, Chaikuad, A, Goubin, S, Shrestha, L, Li, Q, Mukhopadhyay, S, Yang, J, Xia, X, Shintre, C.A, Barr, A.J, Berridge, G, Chalk, R, Bray, J.E, von Delft, F, Bullock, A, Bountra, C, Arrowsmith, C.H, Edwards, A, Burgess-Brown, N, Carpenter, E.P. | Deposit date: | 2012-11-01 | Release date: | 2012-12-05 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3.8 Å) | Cite: | The Structural Basis of Zmpste24-Dependent Laminopathies. Science, 339, 2013
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7OUE
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![BU of 7oue by Molmil](/molmil-images/mine/7oue) | Crystal structure of a trapped Pab-AGOG/single-standed DNA covalent intermediate | Descriptor: | DNA (5'-D(*TP*TP*TP*(PED)P*TP*TP*TP*CP*T)-3'), N-glycosylase/DNA lyase, PHOSPHATE ION, ... | Authors: | Coste, F, Goffinont, S, Flament, D, Castaing, B. | Deposit date: | 2021-06-11 | Release date: | 2022-06-22 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Structural and functional determinants of the archaeal 8-oxoguanine-DNA glycosylase AGOG for DNA damage recognition and processing. Nucleic Acids Res., 50, 2022
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7AAD
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![BU of 7aad by Molmil](/molmil-images/mine/7aad) | Crystal structure of the catalytic domain of human PARP1 in complex with olaparib | Descriptor: | 4-(3-{[4-(cyclopropylcarbonyl)piperazin-1-yl]carbonyl}-4-fluorobenzyl)phthalazin-1(2H)-one, Poly [ADP-ribose] polymerase 1, SULFATE ION | Authors: | Schimpl, M, Ogden, T.E.H, Yang, J.-C, Easton, L.E, Underwood, E, Rawlins, P.B, Johannes, J.W, Embrey, K.J, Neuhaus, D. | Deposit date: | 2020-09-04 | Release date: | 2021-01-13 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Dynamics of the HD regulatory subdomain of PARP-1; substrate access and allostery in PARP activation and inhibition. Nucleic Acids Res., 49, 2021
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7AAX
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![BU of 7aax by Molmil](/molmil-images/mine/7aax) | Crystal structure of MerTK kinase domain in complex with LDC1267 | Descriptor: | CHLORIDE ION, Tyrosine-protein kinase Mer, ~{N}-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluoranyl-phenyl]-4-ethoxy-1-(4-fluoranyl-2-methyl-phenyl)pyrazole-3-carboxamide | Authors: | Schimpl, M, Pflug, A, McCoull, W, Nissink, J.W.M, Overman, R.C, Rawlins, P.B, Truman, C, Underwood, E, Warwicker, J, Winter-Holt, J. | Deposit date: | 2020-09-05 | Release date: | 2020-10-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.762 Å) | Cite: | A-loop interactions in Mer tyrosine kinase give rise to inhibitors with two-step mechanism and long residence time of binding. Biochem.J., 477, 2020
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