5YTP
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5TSS
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![BU of 5tss by Molmil](/molmil-images/mine/5tss) | TOXIC SHOCK SYNDROME TOXIN-1: ORTHORHOMBIC P222(1) CRYSTAL FORM | Descriptor: | TOXIC SHOCK SYNDROME TOXIN-1 | Authors: | Prasad, G.S, Radhakrishnan, R, Mitchell, D.T, Earhart, C.A, Dinges, M.M, Cook, W.J, Schlivert, P.M, Ohlendorf, D.H. | Deposit date: | 1996-12-11 | Release date: | 1997-12-24 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Refined structures of three crystal forms of toxic shock syndrome toxin-1 and of a tetramutant with reduced activity. Protein Sci., 6, 1997
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5UG5
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![BU of 5ug5 by Molmil](/molmil-images/mine/5ug5) | NMR SOLUTION STRUCTURE OF THE ALPHA-CONOTOXIN GID MUTANT V13Y | Descriptor: | Alpha-conotoxin GID | Authors: | Hussein, A, Leffler, A.E, Kuryatov, A, Zebroski, H.A, Powell, S.R, Filipenko, P, Gorson, J, Heizmann, A, Lyskov, S, Nicke, A, Lindstrom, J, Rudy, B, Bonneau, R, Holford, M, Poget, S.F. | Deposit date: | 2017-01-06 | Release date: | 2017-09-06 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Discovery of peptide ligands through docking and virtual screening at nicotinic acetylcholine receptor homology models. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5UJC
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![BU of 5ujc by Molmil](/molmil-images/mine/5ujc) | Crystal structure of a C.elegans B12-trafficking protein CblC, a human MMACHC homologue | Descriptor: | CO-METHYLCOBALAMIN, D(-)-TARTARIC ACID, GLYCEROL, ... | Authors: | Li, Z, Shanmuganathan, A, Ruetz, M, Yamada, K, Lesniak, N.A, Krautler, B, Brunold, T.C, Banerjee, R, Koutmos, M. | Deposit date: | 2017-01-17 | Release date: | 2017-05-03 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Coordination chemistry controls the thiol oxidase activity of the B12-trafficking protein CblC. J. Biol. Chem., 292, 2017
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1KT4
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![BU of 1kt4 by Molmil](/molmil-images/mine/1kt4) | Crystal structure of bovine holo-RBP at pH 3.0 | Descriptor: | RETINOL, plasma retinol-binding protein | Authors: | Calderone, V, Berni, R, Zanotti, G. | Deposit date: | 2002-01-15 | Release date: | 2003-06-03 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.461 Å) | Cite: | High-resolution Structures of Retinol-binding Protein in
Complex with Retinol: pH-induced Protein Structural
Changes in the Crystal State J.Mol.Biol., 329, 2003
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1PVW
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![BU of 1pvw by Molmil](/molmil-images/mine/1pvw) | 3,4-dihydroxy-2-butanone 4-phosphate synthase from M. jannaschii | Descriptor: | 3,4-dihydroxy-2-butanone 4-phosphate synthase, CALCIUM ION, PHOSPHATE ION, ... | Authors: | Steinbacher, S, Schiffmann, S, Richter, G, Huber, R, Bacher, A, Fischer, M. | Deposit date: | 2003-06-29 | Release date: | 2003-11-04 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Structure of 3,4-Dihydroxy-2-butanone 4-Phosphate Synthase from Methanococcus jannaschii in
Complex with Divalent Metal Ions and the Substrate Ribulose 5-Phosphate: IMPLICATIONS FOR THE
CATALYTIC MECHANISM J.Biol.Chem., 278, 2003
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5ULX
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5UME
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![BU of 5ume by Molmil](/molmil-images/mine/5ume) | Crystal Structure of 5,10-Methylenetetrahydrofolate Reductase MetF from Haemophilus influenzae | Descriptor: | 1,2-ETHANEDIOL, 5,10-methylenetetrahydrofolate reductase, ACETIC ACID, ... | Authors: | Kim, Y, Mulligan, R, Maltseva, N, Grimshaw, S, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2017-01-27 | Release date: | 2017-02-22 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal Structure of 5,10-Methylenetetrahydrofolate Reductase MetF from Haemophilus influenzae To Be Published
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5YIP
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![BU of 5yip by Molmil](/molmil-images/mine/5yip) | Crystal Structure of AnkG LIR/GABARAPL1 complex | Descriptor: | Ankyrin-3, GLYCEROL, Gamma-aminobutyric acid receptor-associated protein-like 1 | Authors: | Li, J, Zhu, R, Chen, K, Zheng, H, Yuan, C, Zhang, H, Wang, C, Zhang, M. | Deposit date: | 2017-10-06 | Release date: | 2018-05-23 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Potent and specific Atg8-targeting autophagy inhibitory peptides from giant ankyrins. Nat. Chem. Biol., 14, 2018
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5ULP
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![BU of 5ulp by Molmil](/molmil-images/mine/5ulp) | Structure of the NS5 methyltransferase from Zika bound to MS2042 | Descriptor: | 5'-{[(3S)-3-amino-3-carboxypropyl][(4-fluorophenyl)methyl]amino}-5'-deoxyadenosine, CHLORIDE ION, ISOPROPYL ALCOHOL, ... | Authors: | Jain, R, Aggarwal, A.K. | Deposit date: | 2017-01-25 | Release date: | 2017-05-17 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Development of a S-adenosylmethionine analog that intrudes the RNA-cap binding site of Zika methyltransferase. Sci Rep, 7, 2017
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5YKW
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![BU of 5ykw by Molmil](/molmil-images/mine/5ykw) | Structural basis of the thiol resolving mechanism in yeast mitochondrial 1-Cys peroxiredoxin via glutathione/thioredoxin systems | Descriptor: | Thioredoxin-3, mitochondrial, peptide THR-PRO-VAL-CYS-THR-THR-GLU-VAL | Authors: | Li, C.C, Yang, J, Yang, M.J, Liu, L, Peng, C.T, Li, T, He, L.H, Song, Y.J, Zhu, Y.B, Zhao, N.L, Zhao, C, Bao, R. | Deposit date: | 2017-10-16 | Release date: | 2018-10-24 | Last modified: | 2019-11-06 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Structural basis of the thiol resolving mechanism in yeast mitochondrial 1-Cys peroxiredoxin via glutathione/thioredoxin systems to be published
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8AN4
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![BU of 8an4 by Molmil](/molmil-images/mine/8an4) | MenT1 toxin (rv0078a) from Mycobacterium tuberculosis H37Rv | Descriptor: | Bacterial toxin | Authors: | Xu, X, Usher, B, Gutierrez, C, Barriot, R, Arrowsmith, T.J, Han, X, Redder, P, Neyrolles, O, Blower, T.R, Genevaux, P. | Deposit date: | 2022-08-04 | Release date: | 2023-08-02 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | MenT nucleotidyltransferase toxins extend tRNA acceptor stems and can be inhibited by asymmetrical antitoxin binding. Nat Commun, 14, 2023
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8B42
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5YSP
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![BU of 5ysp by Molmil](/molmil-images/mine/5ysp) | Pyrophosphate-dependent kinase in the ribokinase family complexed with a pyrophosphate analog and myo-inositol | Descriptor: | 1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANE, MAGNESIUM ION, METHYLENEDIPHOSPHONIC ACID, ... | Authors: | Nagata, R, Fujihashi, M, Miki, K. | Deposit date: | 2017-11-14 | Release date: | 2018-05-16 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Identification of a pyrophosphate-dependent kinase and its donor selectivity determinants. Nat Commun, 9, 2018
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8AN5
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![BU of 8an5 by Molmil](/molmil-images/mine/8an5) | MenAT1 toxin-antitoxin complex (rv0078a-rv0078b) from Mycobacterium tuberculosis H37Rv | Descriptor: | Bacterial toxin, Conserved protein | Authors: | Xu, X, Usher, B, Gutierrez, C, Barriot, R, Arrowsmith, T.J, Han, X, Redder, P, Neyrolles, O, Blower, T.R, Genevaux, P. | Deposit date: | 2022-08-04 | Release date: | 2023-08-02 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.44 Å) | Cite: | MenT nucleotidyltransferase toxins extend tRNA acceptor stems and can be inhibited by asymmetrical antitoxin binding. Nat Commun, 14, 2023
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5UPU
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![BU of 5upu by Molmil](/molmil-images/mine/5upu) | Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase from Mycobacterium tuberculosis in the presence of TBK6 | Descriptor: | INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase, ~{N}-(2~{H}-indazol-6-yl)-3,5-dimethyl-1~{H}-pyrazole-4-sulfonamide | Authors: | Kim, Y, Makowska-Grzyska, M, Maltseva, N, Mulligan, R, Gu, M, Sacchettini, J, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2017-02-04 | Release date: | 2017-02-22 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.905 Å) | Cite: | Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase from Mycobacterium tuberculosis in the presence of TBK6 To Be Published
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5YI2
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![BU of 5yi2 by Molmil](/molmil-images/mine/5yi2) | Structure of Lactococcus lactis ZitR, wild type in complex with DNA | Descriptor: | DNA (5'-D(*TP*GP*TP*TP*AP*AP*CP*TP*AP*GP*TP*TP*AP*AP*CP*A)-3'), ZINC ION, Zinc transport transcriptional regulator | Authors: | Song, Y, Liu, H, Zhu, R, Yi, C, Chen, P. | Deposit date: | 2017-10-01 | Release date: | 2017-12-06 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Allosteric histidine switch for regulation of intracellular zinc(II) fluctuation. Proc.Natl.Acad.Sci.USA, 114, 2017
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1N9W
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![BU of 1n9w by Molmil](/molmil-images/mine/1n9w) | Crystal structure of the non-discriminating and archaeal-type aspartyl-tRNA synthetase from Thermus thermophilus | Descriptor: | aspartyl-tRNA synthetase 2 | Authors: | Charron, C, Roy, H, Blaise, M, Giege, R, Kern, D. | Deposit date: | 2002-11-26 | Release date: | 2003-04-08 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Non-discriminating and discriminating aspartyl-tRNA synthetases differ in
the anticodon-binding domain EMBO J., 22, 2003
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5YIL
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![BU of 5yil by Molmil](/molmil-images/mine/5yil) | Hoisting-loop in bacterial multidrug exporter AcrB is a highly flexible hinge that enables the large motion of the subdomains | Descriptor: | Multidrug efflux pump subunit AcrB | Authors: | Zwama, M, Sakurai, K, Hayashi, K, Nakashima, R, Kitagawa, K, Nishino, K, Yamaguchi, A. | Deposit date: | 2017-10-05 | Release date: | 2017-11-15 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Hoisting-Loop in Bacterial Multidrug Exporter AcrB Is a Highly Flexible Hinge That Enables the Large Motion of the Subdomains. Front Microbiol, 8, 2017
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5V6F
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![BU of 5v6f by Molmil](/molmil-images/mine/5v6f) | Crystal Structure of the Second beta-Prism Domain of RbmC from V. cholerae bound to Mannotriose | Descriptor: | Hemolysin-related protein, SULFATE ION, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose | Authors: | De, S, Kaus, K, Sinclair, S, Case, B.C, Olson, R. | Deposit date: | 2017-03-16 | Release date: | 2018-01-17 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural basis of mammalian glycan targeting by Vibrio cholerae cytolysin and biofilm proteins. PLoS Pathog., 14, 2018
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5V6M
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![BU of 5v6m by Molmil](/molmil-images/mine/5v6m) | Crystal Structure of Rabbit Anti-HIV-1 gp120 V3 Fab 10A3 in complex with V3 peptide ConB | Descriptor: | CALCIUM ION, Envelope glycoprotein gp120 V3 peptide of Con B sequence, Heavy chain of Fab fragment of rabbit anti-HIV1 gp120 V3 mAb 10A3, ... | Authors: | Pan, R, Kong, X.-P. | Deposit date: | 2017-03-17 | Release date: | 2018-01-17 | Last modified: | 2019-12-11 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Increased epitope complexity correlated with antibody affinity maturation and a novel binding mode revealed by structures of rabbit antibodies against the third variable loop (V3) of HIV-1 gp120. J. Virol., 2018
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8AP3
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8ATL
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![BU of 8atl by Molmil](/molmil-images/mine/8atl) | Discovery of IRAK4 Inhibitor 23 | Descriptor: | Interleukin-1 receptor-associated kinase 4, ~{N}-[6-methoxy-2-(2-morpholin-4-yl-2-oxidanylidene-ethyl)indazol-5-yl]-6-[(1~{R})-2,2,2-tris(fluoranyl)-1-oxidanyl-ethyl]pyridine-2-carboxamide | Authors: | Schafer, M, Bothe, U, Schmidt, N, Gunther, J, Nubbemeyer, R, Siebeneicher, H, Ring, S, Boemer, U, Peters, M, Denner, K, Himmel, H, Sutter, A, Terebesi, I, Lange, M, Wenger, A.M, Guimond, N, Thaler, T, Platzek, J, Eberspaecher, U, Steuber, H, Steinmeyer, A, Zollner, T.M. | Deposit date: | 2022-08-23 | Release date: | 2023-09-06 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.464 Å) | Cite: | Discovery of IRAK4 Inhibitors BAY1834845 (Zabedosertib) and BAY1830839 . J.Med.Chem., 67, 2024
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1JC0
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![BU of 1jc0 by Molmil](/molmil-images/mine/1jc0) | CRYSTAL STRUCTURE ANALYSIS OF A REDOX-SENSITIVE GREEN FLUORESCENT PROTEIN VARIANT IN A REDUCED FORM | Descriptor: | GREEN FLUORESCENT PROTEIN | Authors: | Hanson, G.T, Aggeler, R, Oglesbee, D, Cannon, M, Capaldi, R.A, Tsien, R.Y, Remington, S.J. | Deposit date: | 2001-06-07 | Release date: | 2003-09-09 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Investigating mitochondrial redox potential with redox-sensitive green fluorescent protein indicators. J.Biol.Chem., 279, 2004
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5T04
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![BU of 5t04 by Molmil](/molmil-images/mine/5t04) | STRUCTURE OF CONSTITUTIVELY ACTIVE NEUROTENSIN RECEPTOR | Descriptor: | 3,3',3''-phosphanetriyltripropanoic acid, ARG-ARG-PRO-TYR-ILE-LEU, DI(HYDROXYETHYL)ETHER, ... | Authors: | Krumm, B, Botos, I, Grisshammer, R. | Deposit date: | 2016-08-15 | Release date: | 2016-12-21 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Structure and dynamics of a constitutively active neurotensin receptor. Sci Rep, 6, 2016
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