6JMI
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![BU of 6jmi by Molmil](/molmil-images/mine/6jmi) | Crystal structure of M.tuberculosis Rv0081 | Descriptor: | SULFATE ION, Uncharacterized HTH-type transcriptional regulator Rv0081 | Authors: | Kumar, A, Phulera, S, Mande, C.S. | Deposit date: | 2019-03-11 | Release date: | 2019-04-10 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.896 Å) | Cite: | Structural basis of hypoxic gene regulation by the Rv0081 transcription factor of Mycobacterium tuberculosis. Febs Lett., 593, 2019
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7PR6
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![BU of 7pr6 by Molmil](/molmil-images/mine/7pr6) | Crystal structure of E. coli beta-glucuronidase in complex with covalent inhibitor ME727 | Descriptor: | (2R,3S,5R,6R)-2,3,4,5,6-pentakis(oxidanyl)cyclohexane-1-carboxylic acid, Beta-glucuronidase | Authors: | Wu, L, Armstrong, Z, Davies, G.J. | Deposit date: | 2021-09-20 | Release date: | 2022-08-03 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Mechanism-based heparanase inhibitors reduce cancer metastasis in vivo. Proc.Natl.Acad.Sci.USA, 119, 2022
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7PR9
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![BU of 7pr9 by Molmil](/molmil-images/mine/7pr9) | Crystal structure of Burkholderia pseudomallei heparanase in complex with covalent inhibitor VL166 | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-(2R,3S,5R,6R)-2,3,4,5,6-pentakis(oxidanyl)cyclohexane-1-carboxylic acid, Glyco_hydro_44 domain-containing protein | Authors: | Wu, L, Armstrong, Z, Davies, G.J. | Deposit date: | 2021-09-21 | Release date: | 2022-08-03 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.34 Å) | Cite: | Mechanism-based heparanase inhibitors reduce cancer metastasis in vivo. Proc.Natl.Acad.Sci.USA, 119, 2022
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8A36
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7PZV
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![BU of 7pzv by Molmil](/molmil-images/mine/7pzv) | LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria | Descriptor: | (2S,4S)-N-[(3R,5R)-1-cyclopropylcarbonyl-5-[[[4-[2-[4-[(1S)-2-methoxy-1-oxidanyl-ethyl]phenyl]ethynyl]phenyl]carbonylamino]methyl]pyrrolidin-3-yl]-4-fluoranyl-pyrrolidine-2-carboxamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION | Authors: | Ryan, M.D, Pallin, T.D, Lamers, M.B.A.C, Leonard, P.M. | Deposit date: | 2021-10-13 | Release date: | 2022-11-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria To Be Published
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8A4G
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![BU of 8a4g by Molmil](/molmil-images/mine/8a4g) | |
8A0N
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![BU of 8a0n by Molmil](/molmil-images/mine/8a0n) | |
7PTJ
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![BU of 7ptj by Molmil](/molmil-images/mine/7ptj) | |
6F0O
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![BU of 6f0o by Molmil](/molmil-images/mine/6f0o) | Botulinum neurotoxin A3 Hc domain | Descriptor: | 1,2-ETHANEDIOL, Bontoxilysin A, PENTAETHYLENE GLYCOL, ... | Authors: | Davies, J.R, Liu, S.M, Acharya, K.R. | Deposit date: | 2017-11-20 | Release date: | 2018-01-10 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | High resolution crystal structures of Clostridium botulinum neurotoxin A3 and A4 binding domains. J. Struct. Biol., 202, 2018
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7L1A
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![BU of 7l1a by Molmil](/molmil-images/mine/7l1a) | Human Methionine Adenosyltransferase 2A bound to Methylthioadenosine and inhibitor, di-imido triphosphate (PNPNP) | Descriptor: | 5'-DEOXY-5'-METHYLTHIOADENOSINE, ALANINE, MAGNESIUM ION, ... | Authors: | Niland, C.N, Fedorov, E, Schramm, V.L, Ghosh, A. | Deposit date: | 2020-12-14 | Release date: | 2021-03-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Mechanism and Inhibition of Human Methionine Adenosyltransferase 2A. Biochemistry, 60, 2021
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7PZU
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![BU of 7pzu by Molmil](/molmil-images/mine/7pzu) | LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria | Descriptor: | (2S,4S)-N-((3R,5R)-1-(cyclopropanecarbonyl)-5-((3-fluoro-4-((4-(morpholinomethyl)phenyl)ethynyl)benzamido)methyl)pyrrolidin-3-yl)-4-fluoropyrrolidine-2-carboxamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION | Authors: | Ryan, M.D, Pallin, T.D, Lamers, M.B.A.C, Leonard, P.M. | Deposit date: | 2021-10-13 | Release date: | 2022-11-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria To Be Published
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6F0T
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![BU of 6f0t by Molmil](/molmil-images/mine/6f0t) | Crystal structure of Pizza6-SFW | Descriptor: | GLYCEROL, Pizza6-SFW | Authors: | Noguchi, H, De Zitter, E, Van Meervelt, L, Voet, A.R.D. | Deposit date: | 2017-11-20 | Release date: | 2018-03-21 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Design of tryptophan-containing mutants of the symmetrical Pizza protein for biophysical studies. Biochem. Biophys. Res. Commun., 497, 2018
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6YI4
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![BU of 6yi4 by Molmil](/molmil-images/mine/6yi4) | Structure of IMP-13 metallo-beta-lactamase complexed with citrate anion | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, BETA-MERCAPTOETHANOL, ... | Authors: | Zak, K.M, Zhou, R.X, Softley, C.A, Bostock, M.J, Sattler, M, Popowicz, G.M. | Deposit date: | 2020-03-31 | Release date: | 2020-04-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure of IMP-13 metallo-beta-lactamase complexed with citrate anion Not published
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8A91
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6F11
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![BU of 6f11 by Molmil](/molmil-images/mine/6f11) | GLIC mutant D86A | Descriptor: | ACETATE ION, CHLORIDE ION, DIUNDECYL PHOSPHATIDYL CHOLINE, ... | Authors: | Hu, H.D, Delarue, M. | Deposit date: | 2017-11-21 | Release date: | 2018-01-10 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Full mutational mapping of titratable residues helps to identify proton-sensors involved in the control of channel gating in the Gloeobacter violaceus pentameric ligand-gated ion channel. PLoS Biol., 15, 2017
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8A39
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![BU of 8a39 by Molmil](/molmil-images/mine/8a39) | Crystal Structure of PaaX from Escherichia coli W | Descriptor: | DNA-binding transcriptional repressor of phenylacetic acid degradation, aryl-CoA responsive, GLYCEROL, ... | Authors: | Molina, R, Alba-Perez, A, Hermoso, J.A. | Deposit date: | 2022-06-07 | Release date: | 2023-07-05 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural characterization of PaaX, the main repressor of the phenylacetate degradation pathway in Escherichia coli W: A novel fold of transcription regulator proteins. Int.J.Biol.Macromol., 254, 2024
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6F09
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![BU of 6f09 by Molmil](/molmil-images/mine/6f09) | Binary complex of 14-3-3 zeta with ubiquitin specific protease 8 (USP8) pSer718 peptide | Descriptor: | 14-3-3 protein zeta/delta, Ubiquitin carboxyl-terminal hydrolase 8 | Authors: | Centorrino, F, Ballone, A, Ottmann, C, Guo, S, Leysen, S. | Deposit date: | 2017-11-17 | Release date: | 2018-03-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.594 Å) | Cite: | Biophysical and structural insight into the USP8/14-3-3 interaction. FEBS Lett., 592, 2018
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8A18
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![BU of 8a18 by Molmil](/molmil-images/mine/8a18) | 1.63 A resolution hydroquinone inhibited Sporosarcina pasteurii urease | Descriptor: | 1,2-ETHANEDIOL, HYDROXIDE ION, NICKEL (II) ION, ... | Authors: | Mazzei, L, Ciurli, S, Cianci, M. | Deposit date: | 2022-06-01 | Release date: | 2023-06-14 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Inhibition of Urease by Hydroquinones: A Structural and Kinetic Study. Chemistry, 28, 2022
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6F1O
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![BU of 6f1o by Molmil](/molmil-images/mine/6f1o) | Orthorhombic Lysozyme crystallized at 298 K and pH 4.5 | Descriptor: | CHLORIDE ION, Lysozyme C, PHOSPHATE ION | Authors: | Camara-Artigas, A. | Deposit date: | 2017-11-22 | Release date: | 2018-05-09 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (0.96 Å) | Cite: | Orthorhombic lysozyme crystallization at acidic pH values driven by phosphate binding. Acta Crystallogr D Struct Biol, 74, 2018
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5UNY
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![BU of 5uny by Molmil](/molmil-images/mine/5uny) | Structure of rat neuronal nitric oxide synthase heme domain in complex with (RS)-3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-(2-(methylamino)propyl)benzonitrile | Descriptor: | 3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-[(2R)-2-(methylamino)propyl]benzonitrile, 3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-[(2S)-2-(methylamino)propyl]benzonitrile, 5,6,7,8-TETRAHYDROBIOPTERIN, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2017-01-31 | Release date: | 2017-05-03 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Nitrile in the Hole: Discovery of a Small Auxiliary Pocket in Neuronal Nitric Oxide Synthase Leading to the Development of Potent and Selective 2-Aminoquinoline Inhibitors. J. Med. Chem., 60, 2017
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6IYU
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![BU of 6iyu by Molmil](/molmil-images/mine/6iyu) | Crystal Structure Analysis of an Eukaryotic Membrane Protein | Descriptor: | CALCIUM ION, CHLORIDE ION, Trimeric intracellular cation channel type A | Authors: | Wang, X.H, Zeng, Y, Su, M, Gao, F, Chen, Y.H. | Deposit date: | 2018-12-17 | Release date: | 2019-05-01 | Last modified: | 2019-11-06 | Method: | X-RAY DIFFRACTION (2.199 Å) | Cite: | Structural basis for activity of TRIC counter-ion channels in calcium release. Proc.Natl.Acad.Sci.USA, 116, 2019
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6YJJ
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6F0V
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![BU of 6f0v by Molmil](/molmil-images/mine/6f0v) | GLIC mutant E82Q | Descriptor: | ACETATE ION, CHLORIDE ION, DIUNDECYL PHOSPHATIDYL CHOLINE, ... | Authors: | Hu, H.D, Delarue, M. | Deposit date: | 2017-11-20 | Release date: | 2018-01-10 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Full mutational mapping of titratable residues helps to identify proton-sensors involved in the control of channel gating in the Gloeobacter violaceus pentameric ligand-gated ion channel. PLoS Biol., 15, 2017
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7Q01
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![BU of 7q01 by Molmil](/molmil-images/mine/7q01) | LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria | Descriptor: | (2S,4S)-N-((3R,5R)-1-(cyclopropanecarbonyl)-5-((4-(((1R,2R)-2-(methoxymethyl)cyclopropyl)buta-1,3-diyn-1-yl)benzamido)methyl)pyrrolidin-3-yl)-4-fluoropyrrolidine-2-carboxamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION | Authors: | Ryan, M.D, Pallin, T.D, Lamers, M.B.A.C, Leonard, P.M. | Deposit date: | 2021-10-13 | Release date: | 2022-11-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria To Be Published
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7ZNR
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![BU of 7znr by Molmil](/molmil-images/mine/7znr) | |