6R1S
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![BU of 6r1s by Molmil](/molmil-images/mine/6r1s) | EthR ligand complex | Descriptor: | 2-(3-methylphenyl)-~{N}-[[2-(oxan-4-yl)-7-oxidanyl-pyrazolo[1,5-a]pyrimidin-5-yl]methyl]ethanamide, HTH-type transcriptional regulator EthR | Authors: | Pohl, E, Tatum, N. | Deposit date: | 2019-03-14 | Release date: | 2020-02-19 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Relative Binding Energies Predict Crystallographic Binding Modes of Ethionamide Booster Lead Compounds. J Phys Chem Lett, 10, 2019
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6PYP
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![BU of 6pyp by Molmil](/molmil-images/mine/6pyp) | Binary Complex of Human Glycerol 3-Phosphate Dehydrogenase, R269A mutant | Descriptor: | 2,2-bis(hydroxymethyl)propane-1,3-diol, Glycerol-3-phosphate dehydrogenase [NAD(+)], cytoplasmic, ... | Authors: | Gulick, A.M. | Deposit date: | 2019-07-30 | Release date: | 2020-07-08 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Modeling the Role of a Flexible Loop and Active Site Side Chains in Hydride Transfer Catalyzed by Glycerol-3-phosphate Dehydrogenase. Acs Catalysis, 10, 2020
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3M4Q
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8B67
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![BU of 8b67 by Molmil](/molmil-images/mine/8b67) | |
8B6K
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8B7E
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![BU of 8b7e by Molmil](/molmil-images/mine/8b7e) | |
8B79
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![BU of 8b79 by Molmil](/molmil-images/mine/8b79) | |
8B77
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![BU of 8b77 by Molmil](/molmil-images/mine/8b77) | |
8B76
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![BU of 8b76 by Molmil](/molmil-images/mine/8b76) | |
3M4P
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5AJ9
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![BU of 5aj9 by Molmil](/molmil-images/mine/5aj9) | G7 mutant of PAS, arylsulfatase from Pseudomonas Aeruginosa | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ARYLSULFATASE, CALCIUM ION, ... | Authors: | Miton, C.M, Fischer, G, Jonas, S, Mohammed, M.F, Loo, B.v, Kintses, B, Hyvonen, M, Tokuriki, N, Hollfelder, F. | Deposit date: | 2015-02-20 | Release date: | 2016-03-16 | Last modified: | 2019-04-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Evolutionary repurposing of a sulfatase: A new Michaelis complex leads to efficient transition state charge offset. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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5FQQ
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![BU of 5fqq by Molmil](/molmil-images/mine/5fqq) | Last common ancestor of Gram-negative bacteria (GNCA4) beta-lactamase class A | Descriptor: | 2-(2-METHOXYETHOXY)ETHANOL, DI(HYDROXYETHYL)ETHER, GNCA4 LACTAMASE | Authors: | Gavira, J.A, Martinez-Rodriguez, S, Risso, V.A, Sanchez-Ruiz, J.M. | Deposit date: | 2015-12-14 | Release date: | 2016-12-28 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | De novo active sites for resurrected Precambrian enzymes. Nat Commun, 8, 2017
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5FQM
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![BU of 5fqm by Molmil](/molmil-images/mine/5fqm) | Last common ancestor of Gram Negative Bacteria (GNCA) Class A beta- lactamase | Descriptor: | GLYCEROL, GNCA BETA LACTAMASE, SULFATE ION | Authors: | Martinez Rodriguez, S, Gavira, J.A, Risso, V.A, Sanchez Ruiz, J.M. | Deposit date: | 2015-12-12 | Release date: | 2017-01-18 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | De novo active sites for resurrected Precambrian enzymes. Nat Commun, 8, 2017
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5FQK
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![BU of 5fqk by Molmil](/molmil-images/mine/5fqk) | W229D and F290W mutant of the last common ancestor of Gram-negative bacteria (GNCA4) beta-lactamase class A bound to 5(6)-nitrobenzotriazole (TS-analog) | Descriptor: | 6-NITROBENZOTRIAZOLE, GNCA4 LACTAMASE W229D AND F290W | Authors: | Gavira, J.A, Risso, V.A, Martinez-Rodriguez, S, Sanchez-Ruiz, J.M. | Deposit date: | 2015-12-11 | Release date: | 2016-12-21 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.767 Å) | Cite: | De novo active sites for resurrected Precambrian enzymes. Nat Commun, 8, 2017
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5FQJ
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![BU of 5fqj by Molmil](/molmil-images/mine/5fqj) | W229D mutant of the last common ancestor of Gram-negative bacteria (GNCA) beta-lactamase bound to 5(6)-nitrobenzotriazole (TS-analog) | Descriptor: | 6-NITROBENZOTRIAZOLE, GNCA LACTAMASE W229D | Authors: | Gavira, J.A, Martinez-Rodriguez, S, Risso, V.A, Sanchez-Ruiz, J.M. | Deposit date: | 2015-12-11 | Release date: | 2016-12-21 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.271 Å) | Cite: | De novo active sites for resurrected Precambrian enzymes. Nat Commun, 8, 2017
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5FQI
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![BU of 5fqi by Molmil](/molmil-images/mine/5fqi) | W229D and F290W mutant of the last common ancestor of Gram-negative bacteria (GNCA4) beta-lactamase class A | Descriptor: | 1,2-ETHANEDIOL, 2-(2-METHOXYETHOXY)ETHANOL, DI(HYDROXYETHYL)ETHER, ... | Authors: | Gavira, J.A, Risso, V.A, Martinez-Rodriguez, S, Sanchez-Ruiz, J.M. | Deposit date: | 2015-12-11 | Release date: | 2016-12-21 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | De novo active sites for resurrected Precambrian enzymes. Nat Commun, 8, 2017
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7Z6R
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![BU of 7z6r by Molmil](/molmil-images/mine/7z6r) | Psychrobacter arcticus ATPPRT (HisGZ) R56A mutant bound to ATP and PRPP | Descriptor: | 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, ADENOSINE-5'-TRIPHOSPHATE, ATP phosphoribosyltransferase, ... | Authors: | Alphey, M.S, Fisher, G, da Silva, R.G. | Deposit date: | 2022-03-14 | Release date: | 2022-03-23 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Allosteric rescue of catalytically impaired ATP phosphoribosyltransferase variants links protein dynamics to active-site electrostatic preorganisation. Nat Commun, 13, 2022
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7Z8U
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![BU of 7z8u by Molmil](/molmil-images/mine/7z8u) | Catalytic subunit HisG R56A mutant from Psychrobacter arcticus ATPPRT (HisGZ) in complex with ATP and PRPP | Descriptor: | 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, ADENOSINE-5'-TRIPHOSPHATE, ATP phosphoribosyltransferase, ... | Authors: | Alphey, M.S, Fisher, G, da Silva, R.G. | Deposit date: | 2022-03-18 | Release date: | 2022-03-30 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Allosteric rescue of catalytically impaired ATP phosphoribosyltransferase variants links protein dynamics to active-site electrostatic preorganisation. Nat Commun, 13, 2022
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3S4O
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5TIM
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![BU of 5tim by Molmil](/molmil-images/mine/5tim) | REFINED 1.83 ANGSTROMS STRUCTURE OF TRYPANOSOMAL TRIOSEPHOSPHATE ISOMERASE, CRYSTALLIZED IN THE PRESENCE OF 2.4 M-AMMONIUM SULPHATE. A COMPARISON WITH THE STRUCTURE OF THE TRYPANOSOMAL TRIOSEPHOSPHATE ISOMERASE-GLYCEROL-3-PHOSPHATE COMPLEX | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, SULFATE ION, TRIOSEPHOSPHATE ISOMERASE | Authors: | Wierenga, R.K, Hol, W.G.J. | Deposit date: | 1991-04-23 | Release date: | 1992-10-15 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Refined 1.83 A structure of trypanosomal triosephosphate isomerase crystallized in the presence of 2.4 M-ammonium sulphate. A comparison with the structure of the trypanosomal triosephosphate isomerase-glycerol-3-phosphate complex. J.Mol.Biol., 220, 1991
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6AX8
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![BU of 6ax8 by Molmil](/molmil-images/mine/6ax8) | Mycobacterium tuberculosis methionyl-tRNA synthetase in complex with methionyl-adenylate | Descriptor: | Methionine-tRNA ligase, [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] (2S)-2-azanyl-4-methylsulfanyl-butanoate | Authors: | Barros-Alvarez, X, Hol, W.G.J. | Deposit date: | 2017-09-06 | Release date: | 2018-04-11 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | The crystal structure of the drug target Mycobacterium tuberculosis methionyl-tRNA synthetase in complex with a catalytic intermediate. Acta Crystallogr F Struct Biol Commun, 74, 2018
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3SO4
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6VYE
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5USF
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5WL8
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![BU of 5wl8 by Molmil](/molmil-images/mine/5wl8) | Crystal structure of chalcone isomerase engineered from ancestral inference (epR4) | Descriptor: | Engineered Chalcone Isomerase epR4, FORMIC ACID | Authors: | Burke, J.R, Kaltenbach, M, Tawfik, D.S, Noel, J.P. | Deposit date: | 2017-07-25 | Release date: | 2018-05-09 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Evolution of chalcone isomerase from a noncatalytic ancestor. Nat. Chem. Biol., 14, 2018
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