6VVS
| Crystal structure of a Mycobacterium smegmatis RNA polymerase transcription initiation complex with antibiotic Sorangicin | Descriptor: | 1,2-ETHANEDIOL, DNA (26-MER), DNA (31-MER), ... | Authors: | Lilic, M, Braffman, N, Darst, S.A, Campbell, E.A. | Deposit date: | 2020-02-18 | Release date: | 2020-10-21 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.112 Å) | Cite: | The antibiotic sorangicin A inhibits promoter DNA unwinding in a Mycobacterium tuberculosis rifampicin-resistant RNA polymerase. Proc.Natl.Acad.Sci.USA, 117, 2020
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5O2A
| FolD Q98H | Descriptor: | Bifunctional protein FolD | Authors: | Koehnke, J, Sikandar, A. | Deposit date: | 2017-05-19 | Release date: | 2018-02-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The natural product carolacton inhibits folate-dependent C1 metabolism by targeting FolD/MTHFD. Nat Commun, 8, 2017
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1LRE
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6BA4
| Crystal structure of MYST acetyltransferase domain in complex with Acetyl-CoA cofactor | Descriptor: | ACETYL COENZYME *A, Histone acetyltransferase KAT8, S-{(3S,5R,9R)-1-[(2R,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxy-4-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} ethanethioate, ... | Authors: | Hermans, S.J, Chung, M.C, Peat, T.S, Baell, J.B, Thomas, T, Parker, M.W. | Deposit date: | 2017-10-12 | Release date: | 2018-08-01 | Last modified: | 2020-01-08 | Method: | X-RAY DIFFRACTION (1.949 Å) | Cite: | Inhibitors of histone acetyltransferases KAT6A/B induce senescence and arrest tumour growth. Nature, 560, 2018
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3EWW
| D312N mutant of human orotidyl-5'-monophosphate decarboxylase in complex with 6-cyano-UMP, covalent adduct | Descriptor: | 6-[(E)-iminomethyl]uridine 5'-phosphate, GLYCEROL, Orotidine-5'-phosphate decarboxylase | Authors: | Heinrich, D, Wittmann, J, Diederichsen, U, Rudolph, M. | Deposit date: | 2008-10-16 | Release date: | 2009-04-07 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Lys314 is a nucleophile in non-classical reactions of orotidine-5'-monophosphate decarboxylase Chemistry, 15, 2009
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6CT2
| MYST histone acetyltransferase KAT6A/B in complex with WM-1119 | Descriptor: | 3-fluoro-N'-[(2-fluorophenyl)sulfonyl]-5-(pyridin-2-yl)benzohydrazide, Histone acetyltransferase KAT8, MAGNESIUM ION, ... | Authors: | Ren, B, Peat, T.S. | Deposit date: | 2018-03-22 | Release date: | 2018-08-01 | Last modified: | 2018-08-22 | Method: | X-RAY DIFFRACTION (2.128 Å) | Cite: | Inhibitors of histone acetyltransferases KAT6A/B induce senescence and arrest tumour growth. Nature, 560, 2018
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2VGK
| Crystal structure of Actinomadura R39 DD-peptidase complexed with a peptidoglycan-mimetic cephalosporin | Descriptor: | (2R)-2-AMINO-7-{[(1R)-1-CARBOXYETHYL]AMINO}-7-OXOHEPTANOIC ACID, D-ALANYL-D-ALANINE CARBOXYPEPTIDASE, MAGNESIUM ION, ... | Authors: | Sauvage, E, kerff, F, Herman, R, Charlier, P. | Deposit date: | 2007-11-14 | Release date: | 2008-11-25 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Crystal Structures of Complexes of Bacterial Dd-Peptidases with Peptidoglycan-Mimetic Ligands: The Substrate Specificity Puzzle. J.Mol.Biol., 381, 2008
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2VGJ
| Crystal structure of Actinomadura R39 DD-peptidase complexed with a peptidoglycan-mimetic cephalosporin | Descriptor: | CEPHALOSPORIN, D-ALANYL-D-ALANINE CARBOXYPEPTIDASE, MAGNESIUM ION, ... | Authors: | Sauvage, E, kerff, F, Herman, R, Charlier, P. | Deposit date: | 2007-11-14 | Release date: | 2008-11-25 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal Structures of Complexes of Bacterial Dd-Peptidases with Peptidoglycan-Mimetic Ligands: The Substrate Specificity Puzzle. J.Mol.Biol., 381, 2008
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2XWY
| Structure of MK-3281, a Potent Non-Nucleoside Finger-Loop Inhibitor, in complex with the Hepatitis C Virus NS5B Polymerase | Descriptor: | (7R)-14-cyclohexyl-7-{[2-(dimethylamino)ethyl](methyl)amino}-7,8-dihydro-6H-indolo[1,2-e][1,5]benzoxazocine-11-carboxylic acid, MANGANESE (II) ION, RNA-DIRECTED RNA POLYMERASE | Authors: | Di Marco, S, Baiocco, P. | Deposit date: | 2010-11-06 | Release date: | 2010-12-22 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.53 Å) | Cite: | Discovery of (7R)-14-Cyclohexyl-7-{[2-(Dimethylamino)Ethyl] (Methyl)Amino}-7,8-Dihydro-6H-Indolo[1,2-E][1,5] Benzoxazocine -11-Carboxylic Acid (Mk-3281), a Potent and Orally Bioavailable Finger-Loop Inhibitor of the Hepatitis C Virus Ns5B Polymerase J.Med.Chem., 54, 2011
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4ATE
| High resolution crystal structure of beta-porphyranase A from Zobellia galactanivorans | Descriptor: | BETA-PORPHYRANASE A, CALCIUM ION, CHLORIDE ION, ... | Authors: | Hehemann, J.H, Correc, G, Jam, M, Michel, G, Czjzek, M. | Deposit date: | 2012-05-06 | Release date: | 2012-07-25 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Biochemical and Structural Characterization of the Complex Agarolytic Enzyme System from the Marine Bacterium Zobellia Galactanivorans. J.Biol.Chem., 287, 2012
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8C3P
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8C4W
| Crystal structure of rat autotaxin and compound MEY-002 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5,7-bis(oxidanyl)-2-[1-(phenylmethyl)indol-3-yl]chromen-4-one, 7alpha-hydroxycholesterol, ... | Authors: | Eymery, M.C, McCarthy, A.A. | Deposit date: | 2023-01-05 | Release date: | 2023-11-22 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Discovery of potent chromone-based autotaxin inhibitors inspired by cannabinoids. Eur.J.Med.Chem., 263, 2023
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8C3O
| Crystal structure of autotaxin gamma and compound MEY-003 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5,7-bis(oxidanyl)-2-(1-pentylindol-3-yl)chromen-4-one, 7alpha-hydroxycholesterol, ... | Authors: | Eymery, M.C, McCarthy, A.A. | Deposit date: | 2022-12-27 | Release date: | 2023-11-22 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.47 Å) | Cite: | Discovery of potent chromone-based autotaxin inhibitors inspired by cannabinoids. Eur.J.Med.Chem., 263, 2023
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8C7R
| Crystal structure of rat autotaxin and compound MEY-003 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5,7-bis(oxidanyl)-2-(1-pentylindol-3-yl)chromen-4-one, 7alpha-hydroxycholesterol, ... | Authors: | Eymery, M.C, McCarthy, A.A. | Deposit date: | 2023-01-17 | Release date: | 2023-11-22 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.53 Å) | Cite: | Discovery of potent chromone-based autotaxin inhibitors inspired by cannabinoids. Eur.J.Med.Chem., 263, 2023
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5FPZ
| The structure of KdgF from Yersinia enterocolitica with malonate bound in the active site. | Descriptor: | MALONIC ACID, NICKEL (II) ION, PECTIN DEGRADATION PROTEIN | Authors: | Hobbs, J.K, Lee, S.M, Robb, M, Hof, F, Barr, C, Abe, K.T, Hehemann, J.H, McLean, R, Abbott, D.W, Boraston, A.B. | Deposit date: | 2015-12-03 | Release date: | 2016-05-04 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Kdgf, the Missing Link in the Microbial Metabolism of Uronate Sugars from Pectin and Alginate. Proc.Natl.Acad.Sci.USA, 113, 2016
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4ATF
| Crystal structure of inactivated mutant beta-agarase B in complex with agaro-octaose | Descriptor: | 3,6-anhydro-alpha-L-galactopyranose-(1-3)-beta-D-galactopyranose-(1-4)-3,6-anhydro-alpha-L-galactopyranose-(1-3)-beta-D-galactopyranose-(1-4)-3,6-anhydro-alpha-L-galactopyranose-(1-3)-beta-D-galactopyranose-(1-4)-3,6-anhydro-alpha-L-galactopyranose-(1-3)-beta-D-galactopyranose, BETA-AGARASE B, SODIUM ION | Authors: | Bernard, T, Hehemann, J.H, Correc, G, Jam, M, Michel, G, Czjzek, M. | Deposit date: | 2012-05-06 | Release date: | 2012-07-25 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Biochemical and Structural Characterization of the Complex Agarolytic Enzyme System from the Marine Bacterium Zobellia Galactanivorans. J.Biol.Chem., 287, 2012
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5FPX
| The structure of KdgF from Yersinia enterocolitica. | Descriptor: | NICKEL (II) ION, PECTIN DEGRADATION PROTEIN, PEPTIDE | Authors: | Hobbs, J.K, Lee, S.M, Robb, M, Hof, F, Barr, C, Abe, K.T, Hehemann, J.H, McLean, R, Abbott, D.W, Boraston, A.B. | Deposit date: | 2015-12-03 | Release date: | 2016-05-04 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Kdgf, the Missing Link in the Microbial Metabolism of Uronate Sugars from Pectin and Alginate. Proc.Natl.Acad.Sci.USA, 113, 2016
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5FQ0
| The structure of KdgF from Halomonas sp. | Descriptor: | CITRATE ANION, KDGF, NICKEL (II) ION, ... | Authors: | Hobbs, J.K, Lee, S.M, Robb, M, Hof, F, Barr, C, Abe, K.T, Hehemann, J.H, McLean, R, Abbott, D.W, Boraston, A.B. | Deposit date: | 2015-12-03 | Release date: | 2016-05-04 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Kdgf, the Missing Link in the Microbial Metabolism of Uronate Sugars from Pectin and Alginate. Proc.Natl.Acad.Sci.USA, 113, 2016
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6BVY
| SFTI-HFRW-4 | Descriptor: | Trypsin inhibitor 1 HFRW-4 | Authors: | Schroeder, C.I, White, A. | Deposit date: | 2017-12-14 | Release date: | 2018-04-18 | Last modified: | 2023-11-15 | Method: | SOLUTION NMR | Cite: | Development of Novel Melanocortin Receptor Agonists Based on the Cyclic Peptide Framework of Sunflower Trypsin Inhibitor-1. J. Med. Chem., 61, 2018
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4EQ4
| Crystal structure of seleno-methionine derivatized GH3.12 | Descriptor: | 2-HYDROXYBENZOIC ACID, 4-substituted benzoates-glutamate ligase GH3.12, ADENOSINE MONOPHOSPHATE | Authors: | Zubieta, C, Nanao, M, Jez, J, Westfall, C, Kapp, U. | Deposit date: | 2012-04-18 | Release date: | 2012-06-20 | Last modified: | 2012-07-25 | Method: | X-RAY DIFFRACTION (2.074 Å) | Cite: | Structural basis for prereceptor modulation of plant hormones by GH3 proteins. Science, 336, 2012
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4EWV
| Crystal structure of GH3.12 in complex with AMPCPP | Descriptor: | 4-substituted benzoates-glutamate ligase GH3.12, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, MANGANESE (II) ION | Authors: | Zubieta, C, Nanao, M, Jez, J. | Deposit date: | 2012-04-28 | Release date: | 2012-06-13 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.897 Å) | Cite: | Structural basis for prereceptor modulation of plant hormones by GH3 proteins. Science, 336, 2012
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7WB0
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7WAZ
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7WAY
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7WB1
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