4CVY
 
 | | Crystal structure of the M. tuberculosis sulfate ester dioxygenase Rv3406 in complex with iron. | | Descriptor: | DIOXYGENASE RV3406/MT3514, FE (III) ION, NITRATE ION | | Authors: | Neres, J, Hartkoorn, R.C, Chiarelli, L.R, Gadupudi, R, Pasca, M, Mori, G, Farina, D, Salina, S, Makarov, V, Kolly, G.S, Molteni, E, Binda, C, Dhar, N, Ferrari, S, Brodin, P, Delorme, V, Landry, V, de Jesus Lopes Ribeiro, A.L, Saxena, P, Pojer, F, Venturelli, A, Carta, A, Luciani, R, Porta, A, Zanoni, G, De Rossi, E, Costi, M.P, Riccardi, G, Cole, S.T. | | Deposit date: | 2014-03-31 | | Release date: | 2014-12-10 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | 2-Carboxyquinoxalines Kill Mycobacterium Tuberculosis Through Noncovalent Inhibition of Dpre1.
Acs Chem.Biol., 10, 2015
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4AUT
 | | Crystal structure of the tuberculosis drug target Decaprenyl- Phosphoryl-beta-D-Ribofuranose-2-oxidoreductase (DprE1) from Mycobacterium smegmatis | | Descriptor: | DECAPRENYL-PHOSPHORYL-BETA-D-RIBOFURANOSE-2-OXIDOREDUCTASE, FLAVIN-ADENINE DINUCLEOTIDE | | Authors: | Neres, J, Pojer, F, Molteni, E, Chiarelli, L.R, Dhar, N, Boy-Rottger, S, Buroni, S, Fullam, E, Degiacomi, G, Lucarelli, A, Read, R.J, Zanoni, G, Edmondson, D.E, De Rossi, E, Pasca, M, Riccardi, G, Mattevi, A, Dyson, P.J, Cole, S.T, Binda, C. | | Deposit date: | 2012-05-21 | | Release date: | 2012-09-05 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural Basis for Benzothiazinone-Mediated Killing of Mycobacterium Tuberculosis.
Sci. Transl. Med., 4, 2012
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7R9V
 | | Structure of PIK3CA with covalent inhibitor 19 | | Descriptor: | N-[2-(4-{4-[2-amino-4-(difluoromethyl)pyrimidin-5-yl]-6-(morpholin-4-yl)-1,3,5-triazin-2-yl}piperazin-1-yl)-2-oxoethyl]-1-(prop-2-enoyl)piperidine-4-carboxamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | Authors: | Burke, J.E, McPhail, J.A. | | Deposit date: | 2021-06-29 | | Release date: | 2022-04-06 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.69 Å) | | Cite: | Covalent Proximity Scanning of a Distal Cysteine to Target PI3K alpha.
J.Am.Chem.Soc., 144, 2022
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7R9Y
 | | Structure of PIK3CA with covalent inhibitor 22 | | Descriptor: | N-[2-(4-{4-[2-amino-4-(difluoromethyl)pyrimidin-5-yl]-6-(morpholin-4-yl)-1,3,5-triazin-2-yl}piperazin-1-yl)-2-oxoethyl]-N-methyl-1-(prop-2-enoyl)piperidine-4-carboxamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | Authors: | Burke, J.E, McPhail, J.A. | | Deposit date: | 2021-06-29 | | Release date: | 2022-04-06 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Covalent Proximity Scanning of a Distal Cysteine to Target PI3K alpha.
J.Am.Chem.Soc., 144, 2022
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