8SVB
 
 | | Antimicrobial lasso peptide achromonodin-1 | | Descriptor: | Achromonodin-1 | | Authors: | Carson, D.V, Cheung-Lee, W.L, So, L, Link, A.J. | | Deposit date: | 2023-05-16 | | Release date: | 2023-10-11 | | Last modified: | 2023-12-06 | | Method: | SOLUTION NMR | | Cite: | Discovery, Characterization, and Bioactivity of the Achromonodins: Lasso Peptides Encoded by Achromobacter .
J.Nat.Prod., 86, 2023
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4ZU5
 | | Crystal structure of the QdtA 3,4-Ketoisomerase from Thermoanaerobacterium thermosaccharolyticum, apo form | | Descriptor: | (2S)-1-[3-{[(2R)-2-hydroxypropyl]oxy}-2,2-bis({[(2R)-2-hydroxypropyl]oxy}methyl)propoxy]propan-2-ol, QdtA, THYMIDINE | | Authors: | Thoden, J.B, Vinogradov, E, Gilbert, M, Salinger, A.J, Holden, H.M. | | Deposit date: | 2015-05-15 | | Release date: | 2016-03-30 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Bacterial Sugar 3,4-Ketoisomerases: Structural Insight into Product Stereochemistry.
Biochemistry, 54, 2015
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4ZU7
 | | X-ray structure if the QdtA 3,4-ketoisomerase from Thermoanaerobacterium thermosaccharolyticum, double mutant Y17R/R97H, in complex with TDP | | Descriptor: | (2S)-1-[3-{[(2R)-2-hydroxypropyl]oxy}-2,2-bis({[(2R)-2-hydroxypropyl]oxy}methyl)propoxy]propan-2-ol, QdtA, THYMIDINE-5'-DIPHOSPHATE | | Authors: | Thoden, J.B, Vinogradov, E, Gilbert, M, Salinger, A.J, Holden, H.M. | | Deposit date: | 2015-05-15 | | Release date: | 2015-07-15 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Bacterial Sugar 3,4-Ketoisomerases: Structural Insight into Product Stereochemistry.
Biochemistry, 54, 2015
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4ZU4
 | | X-ray structure of the 3,4-ketoisomerase domain of FdtD from Shewanella denitrificans | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, PHOSPHATE ION, ... | | Authors: | Thoden, J.B, Vinogradov, E, Gilbert, M, Salinger, A.J, Holden, H.M. | | Deposit date: | 2015-05-15 | | Release date: | 2015-07-15 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Bacterial Sugar 3,4-Ketoisomerases: Structural Insight into Product Stereochemistry.
Biochemistry, 54, 2015
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8Q1E
 | | D10N,P146A variant of beta-phosphoglucomutase from Lactococcus lactis in complex with fructose 1,6-bisphosphate | | Descriptor: | 1,2-ETHANEDIOL, 1,6-di-O-phosphono-beta-D-fructofuranose, Beta-phosphoglucomutase, ... | | Authors: | Cruz-Navarrete, F.A, Baxter, N.J, Flinders, A.J, Buzoianu, A, Cliff, M.J, Baker, P.J, Waltho, J.P. | | Deposit date: | 2023-07-31 | | Release date: | 2024-08-07 | | Method: | X-RAY DIFFRACTION (1.23 Å) | | Cite: | Peri active site catalysis of proline isomerisation is the molecular basis of allomorphy in beta-phosphoglucomutase.
Commun Biol, 7, 2024
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8Q1D
 | | D10N variant of beta-phosphoglucomutase from Lactococcus lactis in complex with fructose 1,6-bisphosphate | | Descriptor: | 1,2-ETHANEDIOL, 1,6-di-O-phosphono-beta-D-fructofuranose, Beta-phosphoglucomutase, ... | | Authors: | Cruz-Navarrete, F.A, Baxter, N.J, Flinders, A.J, Buzoianu, A, Cliff, M.J, Baker, P.J, Waltho, J.P. | | Deposit date: | 2023-07-31 | | Release date: | 2024-08-07 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Peri active site catalysis of proline isomerisation is the molecular basis of allomorphy in beta-phosphoglucomutase.
Commun Biol, 7, 2024
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8Q1F
 | | D10N,P146A variant of beta-phosphoglucomutase from Lactococcus lactis in complex with native beta-glucose 1,6-bisphosphate intermediate | | Descriptor: | 1,2-ETHANEDIOL, 1,6-di-O-phosphono-beta-D-glucopyranose, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | | Authors: | Cruz-Navarrete, F.A, Baxter, N.J, Flinders, A.J, Buzoianu, A, Cliff, M.J, Baker, P.J, Waltho, J.P. | | Deposit date: | 2023-07-31 | | Release date: | 2024-08-07 | | Method: | X-RAY DIFFRACTION (1.01 Å) | | Cite: | Peri active site catalysis of proline isomerisation is the molecular basis of allomorphy in beta-phosphoglucomutase.
Commun Biol, 7, 2024
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8Q1C
 | | Substrate-free D10N,P146A variant of beta-phosphoglucomutase from Lactococcus lactis | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta-phosphoglucomutase, ... | | Authors: | Cruz-Navarrete, F.A, Baxter, N.J, Flinders, A.J, Buzoianu, A, Cliff, M.J, Baker, P.J, Waltho, J.P. | | Deposit date: | 2023-07-31 | | Release date: | 2024-08-07 | | Method: | X-RAY DIFFRACTION (1.679 Å) | | Cite: | Peri active site catalysis of proline isomerisation is the molecular basis of allomorphy in beta-phosphoglucomutase.
Commun Biol, 7, 2024
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2XKK
 | | CRYSTAL STRUCTURE OF MOXIFLOXACIN, DNA, and A. BAUMANNII TOPO IV (PARE-PARC FUSION TRUNCATE) | | Descriptor: | 1-cyclopropyl-6-fluoro-8-methoxy-7-[(4aS,7aS)-octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, DNA, MAGNESIUM ION, ... | | Authors: | Wohlkonig, A, Chan, P.F, Fosberry, A.P, Homes, P, Huang, J, Kranz, M, Leydon, V.R, Miles, T.J, Pearson, N.D, Perera, R.L, Shillings, A.J, Gwynn, M.N, Bax, B.D. | | Deposit date: | 2010-07-08 | | Release date: | 2010-09-01 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.25 Å) | | Cite: | Structural Basis of Quinolone Inhibition of Type Iia Topoisomerases and Target-Mediated Resistance
Nat.Struct.Mol.Biol., 17, 2010
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1A5Y
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6D0H
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6D0I
 | | ParT: Prs ADP-ribosylating toxin bound to cognate antitoxin ParS. L48M ParT, SeMet-substituted complex. | | Descriptor: | GLYCEROL, ParS: COG5642 (DUF2384) antitoxin fragment, ParT: COG5654 (RES domain) toxin | | Authors: | Piscotta, F.J, Jeffrey, P.D, Link, A.J. | | Deposit date: | 2018-04-10 | | Release date: | 2019-01-09 | | Last modified: | 2019-01-23 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | ParST is a widespread toxin-antitoxin module that targets nucleotide metabolism.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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5TJ1
 | | Benenodin-1-dC5, state 1 | | Descriptor: | Benenodin-1 | | Authors: | Zong, C, Link, A.J. | | Deposit date: | 2016-10-03 | | Release date: | 2017-07-19 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Lasso Peptide Benenodin-1 Is a Thermally Actuated [1]Rotaxane Switch.
J. Am. Chem. Soc., 139, 2017
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2HNQ
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2HNP
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2LTI
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2XKJ
 | | CRYSTAL STRUCTURE OF CATALYTIC CORE OF A. BAUMANNII TOPO IV (PARE- PARC FUSION TRUNCATE) | | Descriptor: | GLYCEROL, SULFATE ION, TOPOISOMERASE IV | | Authors: | Wohlkonig, A, Chan, P.F, Fosberry, A.P, Homes, P, Huang, J, Kranz, M, Leydon, V.R, Miles, T.J, Pearson, N.D, Perera, R.L, Shillings, A.J, Gwynn, M.N, Bax, B.D. | | Deposit date: | 2010-07-08 | | Release date: | 2010-09-01 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural Basis of Quinolone Inhibition of Type Iia Topoisomerases and Target-Mediated Resistance
Nat.Struct.Mol.Biol., 17, 2010
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9BOQ
 | | Human p97/VCP structure with a triazole inhibitor (NSC799462/dodecamer) | | Descriptor: | 3-(2,6-difluoro-4-{[(4P)-5-{[(2S)-hexan-2-yl]sulfanyl}-4-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]methoxy}phenyl)prop-2-yn-1-yl (1-methylpiperidin-4-yl)carbamate, ADENOSINE-5'-DIPHOSPHATE, Transitional endoplasmic reticulum ATPase | | Authors: | Nandi, P, DeVore, K, Chiu, P.-L. | | Deposit date: | 2024-05-05 | | Release date: | 2024-08-21 | | Method: | ELECTRON MICROSCOPY (3.33 Å) | | Cite: | Mechanism of allosteric inhibition of human p97/VCP ATPase and its disease mutant by triazole inhibitors.
Commun Chem, 7, 2024
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5W8K
 | | Crystal Structure of Lactate Dehydrogenase A in complex with inhibitor compound 29 and NADH | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 2-{3-(3,4-difluorophenyl)-5-hydroxy-4-[(4-sulfamoylphenyl)methyl]-1H-pyrazol-1-yl}-1,3-thiazole-4-carboxylic acid, GLYCEROL, ... | | Authors: | Lukacs, C.M, Dranow, D.M. | | Deposit date: | 2017-06-21 | | Release date: | 2018-01-17 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Discovery and Optimization of Potent, Cell-Active Pyrazole-Based Inhibitors of Lactate Dehydrogenase (LDH).
J. Med. Chem., 60, 2017
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5W8I
 | | Crystal Structure of Lactate Dehydrogenase A in complex with inhibitor compound 23 and Zinc | | Descriptor: | 2-[3-(3,4-difluorophenyl)-5-hydroxy-1H-pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid, CITRIC ACID, DIMETHYL SULFOXIDE, ... | | Authors: | Lukacs, C.M, Abendroth, J. | | Deposit date: | 2017-06-21 | | Release date: | 2018-01-17 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Discovery and Optimization of Potent, Cell-Active Pyrazole-Based Inhibitors of Lactate Dehydrogenase (LDH).
J. Med. Chem., 60, 2017
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5EUH
 | | Crystal structure of the c-di-GMP-bound GGDEF domain of P. fluorescens GcbC | | Descriptor: | 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), Putative GGDEF domain membrane protein, SULFATE ION | | Authors: | Giglio, K.M, Cooley, R.B, Sondermann, H. | | Deposit date: | 2015-11-18 | | Release date: | 2015-12-30 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.989 Å) | | Cite: | Contribution of Physical Interactions to Signaling Specificity between a Diguanylate Cyclase and Its Effector.
Mbio, 6, 2015
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3NI3
 | | 54-Membered ring macrocyclic beta-sheet peptide | | Descriptor: | 54-membered ring macrocyclic beta-sheet peptide, ISOPROPYL ALCOHOL | | Authors: | Sawaya, M.R, Eisenberg, D, Nowick, J.S, Korman, T.P, Khakshoor, O. | | Deposit date: | 2010-06-15 | | Release date: | 2010-09-15 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.34 Å) | | Cite: | X-ray crystallographic structure of an artificial beta-sheet dimer.
J.Am.Chem.Soc., 132, 2010
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6UGK
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5CDM
 | | 2.5A structure of QPT-1 with S.aureus DNA gyrase and DNA | | Descriptor: | (2R,4S,4aS)-2,4-dimethyl-8-nitro-1,2,4,4a-tetrahydro-2'H,6H-spiro[1,4-oxazino[4,3-a]quinoline-5,5'-pyrimidine]-2',4',6'(1'H,3'H)-trione, DNA (5'-D(P*GP*AP*GP*CP*GP*TP*AP*C*GP*GP*CP*CP*GP*TP*AP*CP*GP*CP*TP*T)-3'), DNA gyrase subunit A, ... | | Authors: | Bax, B.D, Srikannathasan, V, Chan, P.F. | | Deposit date: | 2015-07-04 | | Release date: | 2015-12-16 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural basis of DNA gyrase inhibition by antibacterial QPT-1, anticancer drug etoposide and moxifloxacin.
Nat Commun, 6, 2015
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5CDN
 | | 2.8A structure of etoposide with S.aureus DNA gyrase and DNA | | Descriptor: | (5S,5aR,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol -5-yl 4,6-O-[(1R)-ethylidene]-beta-D-glucopyranoside, DNA (5'-D(P*GP*AP*GP*CP*GP*TP*AP**GP*GP*CP*CP*GP*TP*AP*CP*GP*CP*TP*C)-3'), DNA (5'-D(P*GP*AP*GP*CP*GP*TP*AP*C*GP*GP*CP*CP*GP*TP*AP*CP*GP*CP*TP*C)-3'), ... | | Authors: | Bax, B.D, Srikannathasan, V, Chan, P.F. | | Deposit date: | 2015-07-04 | | Release date: | 2015-12-16 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.79 Å) | | Cite: | Structural basis of DNA gyrase inhibition by antibacterial QPT-1, anticancer drug etoposide and moxifloxacin.
Nat Commun, 6, 2015
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