6WD5
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![BU of 6wd5 by Molmil](/molmil-images/mine/6wd5) | Cryo-EM of elongating ribosome with EF-Tu*GTP elucidates tRNA proofreading (Cognate Structure II-C1) | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | Authors: | Loveland, A.B, Demo, G, Korostelev, A.A. | Deposit date: | 2020-03-31 | Release date: | 2020-07-08 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Cryo-EM of elongating ribosome with EF-Tu•GTP elucidates tRNA proofreading. Nature, 584, 2020
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8DDF
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![BU of 8ddf by Molmil](/molmil-images/mine/8ddf) | Quasi-racemic mixture of L-FWF and D-FYF peptide reveals rippled beta-sheet | Descriptor: | 1,1,1,3,3,3-hexafluoropropan-2-ol, DPN-DTY-DPN, PHE-TRP-PHE | Authors: | Sawaya, M.R, Hazari, A, Eisenberg, D.E. | Deposit date: | 2022-06-18 | Release date: | 2022-09-28 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | The rippled beta-sheet layer configuration-a novel supramolecular architecture based on predictions by Pauling and Corey. Chem Sci, 13, 2022
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6VHZ
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![BU of 6vhz by Molmil](/molmil-images/mine/6vhz) | Klebsiella oxytoca NpsA N-terminal subdomain in complex with anthranilyl-AMSN | Descriptor: | 5'-{[(benzenecarbonyl)sulfamoyl]amino}-5'-deoxyadenosine, BROMIDE ION, CHLORIDE ION, ... | Authors: | Kreitler, D.F, Gulick, A.M. | Deposit date: | 2020-01-10 | Release date: | 2020-06-24 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Biosynthesis, Mechanism of Action, and Inhibition of the Enterotoxin Tilimycin Produced by the Opportunistic PathogenKlebsiella oxytoca. Acs Infect Dis., 6, 2020
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5N17
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![BU of 5n17 by Molmil](/molmil-images/mine/5n17) | First Bromodomain (BD1) from Candida albicans Bdf1 bound to a dibenzothiazepinone (compound 3) | Descriptor: | (2~{S})-~{N}-(5-methyl-6-oxidanylidene-benzo[b][1,4]benzothiazepin-2-yl)oxolane-2-carboxamide, Bromodomain-containing factor 1, SULFATE ION | Authors: | Mietton, F, Ferri, E, Champleboux, M, Zala, N, Maubon, D, Zhou, Y, Harbut, M, Spittler, D, Garnaud, C, Courcon, M, Chauvon, M, d'Enfer, C, Kashemirov, B.A, Hull, M, Cornet, M, McKenna, C.E, Govin, J, Petosa, C. | Deposit date: | 2017-02-05 | Release date: | 2017-05-31 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Selective BET bromodomain inhibition as an antifungal therapeutic strategy. Nat Commun, 8, 2017
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5N1D
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6WIW
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![BU of 6wiw by Molmil](/molmil-images/mine/6wiw) | c-Src Bound to ATP-Competitive Inhibitor I14 | Descriptor: | N-(3-{[4-amino-7-(2-methoxyethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]ethynyl}-4-methylphenyl)acetamide, Proto-oncogene tyrosine-protein kinase Src | Authors: | Vilas-Boas, J, Thakur, M.K, Fang, L, Maly, D, Seeliger, M.A. | Deposit date: | 2020-04-10 | Release date: | 2020-06-17 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | How ATP-Competitive Inhibitors Allosterically Modulate Tyrosine Kinases That Contain a Src-like Regulatory Architecture. Acs Chem.Biol., 15, 2020
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6WK5
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6WK9
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7OA1
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4YUJ
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![BU of 4yuj by Molmil](/molmil-images/mine/4yuj) | Multiconformer synchrotron model of CypA at 240 K | Descriptor: | Peptidyl-prolyl cis-trans isomerase A | Authors: | Keedy, D.A, Kenner, L.R, Warkentin, M, Woldeyes, R.A, Thompson, M.C, Brewster, A.S, Van Benschoten, A.H, Baxter, E.L, Hopkins, J.B, Uervirojnangkoorn, M, McPhillips, S.E, Song, J, Mori, R.A, Holton, J.M, Weis, W.I, Brunger, A.T, Soltis, M, Lemke, H, Gonzalez, A, Sauter, N.K, Cohen, A.E, van den Bedem, H, Thorne, R.E, Fraser, J.S. | Deposit date: | 2015-03-18 | Release date: | 2015-10-14 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Mapping the conformational landscape of a dynamic enzyme by multitemperature and XFEL crystallography. Elife, 4, 2015
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6NTB
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6PXJ
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![BU of 6pxj by Molmil](/molmil-images/mine/6pxj) | Crystal structure of human thrombin mutant I16T | Descriptor: | GLYCEROL, MAGNESIUM ION, Thrombin heavy chain, ... | Authors: | Stojanovski, B, Chen, Z, Koester, S.K, Pelc, L.A, Di Cera, E. | Deposit date: | 2019-07-26 | Release date: | 2019-12-18 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Role of the I16-D194 ionic interaction in the trypsin fold. Sci Rep, 9, 2019
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6VI7
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![BU of 6vi7 by Molmil](/molmil-images/mine/6vi7) | Probing extradiol dioxygenase mechanism in NAD(+) biosynthesis by viewing reaction cycle intermediates - a substrate bidentately bound structure | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-HYDROXYANTHRANILIC ACID, 3-hydroxyanthranilate 3,4-dioxygenase, ... | Authors: | Wang, Y, Liu, F, Yang, Y, Liu, A. | Deposit date: | 2020-01-12 | Release date: | 2020-02-12 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.617 Å) | Cite: | Observing 3-hydroxyanthranilate-3,4-dioxygenase in action through a crystalline lens. Proc.Natl.Acad.Sci.USA, 117, 2020
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8D36
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6PZ1
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![BU of 6pz1 by Molmil](/molmil-images/mine/6pz1) | Crystal Structure of human Indoleamine 2,3-Dioxygenase 1 in complex with PF-06840003 in Active Site and Si site | Descriptor: | (3R)-3-(5-fluoro-1H-indol-3-yl)pyrrolidine-2,5-dione, GLYCEROL, Indoleamine 2,3-dioxygenase 1, ... | Authors: | Pham, K.N, Lewis-Ballester, A, Yeh, S.R. | Deposit date: | 2019-07-31 | Release date: | 2020-01-01 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Structural Basis of Inhibitor Selectivity in Human Indoleamine 2,3-Dioxygenase 1 and Tryptophan Dioxygenase. J.Am.Chem.Soc., 141, 2019
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8DHD
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![BU of 8dhd by Molmil](/molmil-images/mine/8dhd) | Neutron crystal structure of maltotetraose bound tmMBP | Descriptor: | alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, maltose-binding protein MalE2 | Authors: | Cuneo, M.J, Shukla, S, Myles, D.A. | Deposit date: | 2022-06-27 | Release date: | 2022-10-12 | Last modified: | 2023-10-25 | Method: | NEUTRON DIFFRACTION (1.7 Å), X-RAY DIFFRACTION | Cite: | Mapping periplasmic binding protein oligosaccharide recognition with neutron crystallography. Sci Rep, 12, 2022
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6Q3Z
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![BU of 6q3z by Molmil](/molmil-images/mine/6q3z) | Crystal structure of the first bromodomain of human BRD4 in complex with the inhibitor 16k | Descriptor: | (7~{R})-2-[[2-ethoxy-4-(1-methylpiperidin-4-yl)phenyl]amino]-7-ethyl-5-methyl-8-[(4-methylthiophen-2-yl)methyl]-7~{H}-pteridin-6-one, 1,2-ETHANEDIOL, Bromodomain-containing protein 4 | Authors: | Heidenreich, D, Watts, E, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Knapp, S, Hoelder, S, Structural Genomics Consortium (SGC) | Deposit date: | 2018-12-04 | Release date: | 2019-03-06 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Designing Dual Inhibitors of Anaplastic Lymphoma Kinase (ALK) and Bromodomain-4 (BRD4) by Tuning Kinase Selectivity. J.Med.Chem., 62, 2019
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6Q43
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![BU of 6q43 by Molmil](/molmil-images/mine/6q43) | Atomic resolution crystal structure of an ABA collagen heterotrimer | Descriptor: | GLYCEROL, Leading Chain of the ABA collagen heterotrimer, Middle Chain of the ABA collagen heterotrimer, ... | Authors: | Jalan, A.A, Hartgerink, J.D, Brear, P, Leitinger, B, Farndale, R.W. | Deposit date: | 2018-12-05 | Release date: | 2019-12-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.16 Å) | Cite: | Atomic resolution crystal structure of an AAB collagen heterotrimer Nat.Chem.Biol., 2019
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6WQZ
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![BU of 6wqz by Molmil](/molmil-images/mine/6wqz) | Structure of human ATG9A, the only transmembrane protein of the core autophagy machinery | Descriptor: | Autophagy-related protein 9A, Lauryl Maltose Neopentyl Glycol | Authors: | Guardia, C.M, Tan, X, Lian, T, Rana, M.S, Zhou, W, Christenson, E.T, Lowry, A.J, Faraldo-Gomez, J.D, Bonifacino, J.S, Jiang, J, Banerjee, A. | Deposit date: | 2020-04-29 | Release date: | 2020-07-08 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Structure of Human ATG9A, the Only Transmembrane Protein of the Core Autophagy Machinery. Cell Rep, 31, 2020
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6W98
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![BU of 6w98 by Molmil](/molmil-images/mine/6w98) | Single-Particle Cryo-EM Structure of Arabinofuranosyltransferase AftD from Mycobacteria | Descriptor: | 4'-PHOSPHOPANTETHEINE, Acyl carrier protein, CALCIUM ION, ... | Authors: | Tan, Y.Z, Zhang, L, Rodrigues, J, Zheng, R.B, Giacometti, S.I, Rosario, A.L, Kloss, B, Dandey, V.P, Wei, H, Brunton, R, Raczkowski, A.M, Athayde, D, Catalao, M.J, Pimentel, M, Clarke, O.B, Lowary, T.L, Archer, M, Niederweis, M, Potter, C.S, Carragher, B, Mancia, F. | Deposit date: | 2020-03-22 | Release date: | 2020-05-13 | Last modified: | 2020-06-03 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Cryo-EM Structures and Regulation of Arabinofuranosyltransferase AftD from Mycobacteria. Mol.Cell, 78, 2020
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5M1C
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![BU of 5m1c by Molmil](/molmil-images/mine/5m1c) | Crystal structure of N-terminally tagged apo-UbiD from E. coli | Descriptor: | 3-octaprenyl-4-hydroxybenzoate carboxy-lyase, TETRAETHYLENE GLYCOL | Authors: | Marshall, S.A, Leys, D. | Deposit date: | 2016-10-07 | Release date: | 2017-01-11 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Oxidative Maturation and Structural Characterization of Prenylated FMN Binding by UbiD, a Decarboxylase Involved in Bacterial Ubiquinone Biosynthesis. J. Biol. Chem., 292, 2017
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6WRT
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![BU of 6wrt by Molmil](/molmil-images/mine/6wrt) | Crystal structure of Mj 3-nitro-tyrosine tRNA synthetase (5B) C70A/S158C variant bound to 3-nitro-tyrosine | Descriptor: | META-NITRO-TYROSINE, SODIUM ION, Tyrosine--tRNA ligase | Authors: | Beyer, J.N, Hosseinzadeh, P, Karplus, P.A, Mehl, R.A, Cooley, R.B. | Deposit date: | 2020-04-30 | Release date: | 2020-07-01 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Overcoming Near-Cognate Suppression in a Release Factor 1-Deficient Host with an Improved Nitro-Tyrosine tRNA Synthetase. J.Mol.Biol., 432, 2020
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6W2U
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6WT2
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![BU of 6wt2 by Molmil](/molmil-images/mine/6wt2) | Crystal Structure of Putative NAD(P)H-Flavin Oxidoreductase from Neisseria meningitidis | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, FLAVIN MONONUCLEOTIDE, ... | Authors: | Kim, Y, Maltseva, N, Endres, M, Crofts, T, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2020-05-01 | Release date: | 2020-05-13 | Last modified: | 2024-07-17 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Functional and Structural Characterization of Diverse NfsB Chloramphenicol Reductase Enzymes from Human Pathogens. Microbiol Spectr, 10, 2022
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6GJJ
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![BU of 6gjj by Molmil](/molmil-images/mine/6gjj) | Cyclophilin A complexed with tri-vector ligand 2. | Descriptor: | Peptidyl-prolyl cis-trans isomerase A, ethyl 2-[[(4-aminophenyl)methyl-propyl-carbamoyl]amino]ethanoate | Authors: | Georgiou, C, De Simone, A, Walkinshaw, M.D, Michel, J. | Deposit date: | 2018-05-16 | Release date: | 2018-11-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | A computationally designed binding mode flip leads to a novel class of potent tri-vector cyclophilin inhibitors. Chem Sci, 10, 2019
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