3G1L
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![BU of 3g1l by Molmil](/molmil-images/mine/3g1l) | EthR from Mycobacterium tuberculosis in complex with compound BDM14744 | Descriptor: | 3-(4-fluorophenyl)-5-phenyl-4H-1,2,4-triazole, TRANSCRIPTIONAL REGULATORY REPRESSOR PROTEIN (TETR-FAMILY) ETHR | Authors: | Willand, N, Dirie, B, Carette, X, Bifani, P, Singhal, A, Desroses, M, Leroux, F, Willery, E, Mathys, V, Deprez-Poulain, R, Delcroix, G, Frenois, F, Aumercier, M, Locht, C, Villeret, V, Deprez, B, Baulard, A.R. | Deposit date: | 2009-01-30 | Release date: | 2009-07-21 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Synthetic EthR inhibitors boost antituberculous activity of ethionamide. Nat.Med. (N.Y.), 15, 2009
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5ANQ
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![BU of 5anq by Molmil](/molmil-images/mine/5anq) | inhibitors of JumonjiC domain-containing histone demethylases | Descriptor: | 2-{2-[(pyridin-3-ylmethyl)amino]pyrimidin-4-yl}pyridine-4-carboxylic acid, CHLORIDE ION, FE (II) ION, ... | Authors: | Roatsch, M, Robaa, D, Pippel, M, Nettleship, J.E, Reddivari, Y, Bird, L.E, Hoffmann, I, Franz, H, Owens, R.J, Schuele, R, Flaig, R, Sippl, W, Jung, M. | Deposit date: | 2015-09-07 | Release date: | 2016-03-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Substituted 2-(2-Aminopyrimidin-4-Yl)Pyridine-4-Carboxylates as Potent Inhibitors of Jumonjic Domain-Containing Histone Demethylases. Fut.Med.Chem., 8, 2016
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2W1B
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![BU of 2w1b by Molmil](/molmil-images/mine/2w1b) | The structure of the efflux pump AcrB in complex with bile acid | Descriptor: | (3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-24-OIC ACID, ACRIFLAVIN RESISTANCE PROTEIN B | Authors: | Drew, D, Klepsch, M.M, Newstead, S, Flaig, R, De Gier, J.W, Iwata, S, Beis, K. | Deposit date: | 2008-10-17 | Release date: | 2008-12-09 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (3.85 Å) | Cite: | The Structure of the Efflux Pump Acrb in Complex with Bile Acid. Mol.Membr.Biol., 25, 2008
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6YB7
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![BU of 6yb7 by Molmil](/molmil-images/mine/6yb7) | SARS-CoV-2 main protease with unliganded active site (2019-nCoV, coronavirus disease 2019, COVID-19). | Descriptor: | 3C-like proteinase, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE | Authors: | Owen, C.D, Lukacik, P, Strain-Damerell, C.M, Douangamath, A, Powell, A.J, Fearon, D, Brandao-Neto, J, Crawshaw, A.D, Aragao, D, Williams, M, Flaig, R, Hall, D.R, McAuley, K.E, Mazzorana, M, Stuart, D.I, von Delft, F, Walsh, M.A. | Deposit date: | 2020-03-16 | Release date: | 2020-03-25 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | COVID-19 main protease with unliganded active site To Be Published
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6Y84
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![BU of 6y84 by Molmil](/molmil-images/mine/6y84) | SARS-CoV-2 main protease with unliganded active site (2019-nCoV, coronavirus disease 2019, COVID-19) | Descriptor: | 3C-like proteinase nsp5, DIMETHYL SULFOXIDE | Authors: | Owen, C.D, Lukacik, P, Strain-Damerell, C.M, Douangamath, A, Powell, A.J, Fearon, D, Brandao-Neto, J, Crawshaw, A.D, Aragao, D, Williams, M, Flaig, R, Hall, D.R, McAuley, K.E, Mazzorana, M, Stuart, D.I, von Delft, F, Walsh, M.A. | Deposit date: | 2020-03-03 | Release date: | 2020-03-11 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.39 Å) | Cite: | COVID-19 main protease with unliganded active site To Be Published
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4QIA
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![BU of 4qia by Molmil](/molmil-images/mine/4qia) | Crystal structure of human insulin degrading enzyme (ide) in complex with inhibitor N-benzyl-N-(carboxymethyl)glycyl-L-histidine | Descriptor: | Insulin-degrading enzyme, N-benzyl-N-(carboxymethyl)glycyl-L-histidine, ZINC ION | Authors: | Guo, Q, Deprez-Poulain, R, Deprez, B, Tang, W.J. | Deposit date: | 2014-05-30 | Release date: | 2015-05-13 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.202 Å) | Cite: | Structure-activity relationships of imidazole-derived 2-[N-carbamoylmethyl-alkylamino]acetic acids, dual binders of human insulin-degrading enzyme. Eur.J.Med.Chem., 90, 2015
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4DTT
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![BU of 4dtt by Molmil](/molmil-images/mine/4dtt) | Crystal structure of human insulin degrading enzyme (ide) in complex with compund 41367 | Descriptor: | 2-[[2-[[(2S)-3-(3H-IMIDAZOL-4-YL)-1-METHOXY-1-OXO-PROPAN-2-YL]AMINO]-2-OXO-ETHYL]-(PHENYLMETHYL)AMINO]ETHANOIC ACID, Insulin-degrading enzyme, ZINC ION | Authors: | Guo, Q, Deprez-Poulain, R, Deprez, B, Tang, W.J. | Deposit date: | 2012-02-21 | Release date: | 2013-02-27 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3.22 Å) | Cite: | Imidazole-derived 2-[N-carbamoylmethyl-alkylamino]acetic acids, substrate-dependent modulators of insulin-degrading enzyme in amyloid-beta hydrolysis. Eur.J.Med.Chem., 79, 2014
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4GS8
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![BU of 4gs8 by Molmil](/molmil-images/mine/4gs8) | Structure analysis of cysteine free insulin degrading enzyme (ide) with compound bdm43079 [{[(s)-2-(1h-imidazol-4-yl)-1-methylcarbamoyl-ethylcarbamoyl]-methyl}-(3-phenyl-propyl)-amino]-acetic acid | Descriptor: | Insulin-degrading enzyme, N-(carboxymethyl)-N-(3-phenylpropyl)glycyl-N-methyl-L-histidinamide, ZINC ION | Authors: | Guo, Q, Deprez-Poulain, R, Deprez, B, Tang, W.J. | Deposit date: | 2012-08-27 | Release date: | 2013-08-28 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.99 Å) | Cite: | Imidazole-derived 2-[N-carbamoylmethyl-alkylamino]acetic acids, substrate-dependent modulators of insulin-degrading enzyme in amyloid-beta hydrolysis. Eur.J.Med.Chem., 79, 2014
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4GSC
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![BU of 4gsc by Molmil](/molmil-images/mine/4gsc) | Structure analysis of insulin degrading enzyme with compound bdm41559 ((s)-2-[2-(carboxymethyl-phenethyl-amino)-acetylamino]-3-(1h-imidazol-4-yl)-propionic acid methyl ester) | Descriptor: | Insulin-degrading enzyme, ZINC ION, methyl N-(carboxymethyl)-N-(2-phenylethyl)glycyl-L-histidinate | Authors: | Guo, Q, Deprez-Poulain, R, Deprez, B, Tang, W.J. | Deposit date: | 2012-08-27 | Release date: | 2013-08-28 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.81 Å) | Cite: | Imidazole-derived 2-[N-carbamoylmethyl-alkylamino]acetic acids, substrate-dependent modulators of insulin-degrading enzyme in amyloid-beta hydrolysis. Eur.J.Med.Chem., 79, 2014
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4GSF
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![BU of 4gsf by Molmil](/molmil-images/mine/4gsf) | The structure analysis of cysteine free insulin degrading enzyme (ide) with (s)-2-{2-[carboxymethyl-(3-phenyl-propionyl)-amino]-acetylamino}-3-(3h-imidazol-4-yl)-propionic acid methyl ester | Descriptor: | Insulin-degrading enzyme, ZINC ION, methyl N-(carboxymethyl)-N-(3-phenylpropanoyl)glycyl-D-histidinate | Authors: | Guo, Q, Deprez-Poulain, R, Deprez, B, Tang, W.J. | Deposit date: | 2012-08-27 | Release date: | 2013-08-28 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structure-activity relationships of imidazole-derived 2-[N-carbamoylmethyl-alkylamino]acetic acids, dual binders of human insulin-degrading enzyme. Eur.J.Med.Chem., 90, 2015
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7BJK
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![BU of 7bjk by Molmil](/molmil-images/mine/7bjk) | |
4DWK
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![BU of 4dwk by Molmil](/molmil-images/mine/4dwk) | Structure of cystein free insulin degrading enzyme with compound bdm41671 ((s)-2-{2-[carboxymethyl-(3-phenyl-propyl)-amino]-acetylamino}-3-(1h-imidazol-4-yl)-propionic acid methyl ester) | Descriptor: | Insulin-degrading enzyme, ZINC ION, methyl N-(carboxymethyl)-N-(3-phenylpropyl)glycyl-L-histidinate | Authors: | Guo, Q, Deprez-Poulain, R, Deprez, B, Tang, W.J. | Deposit date: | 2012-02-24 | Release date: | 2013-04-03 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Imidazole-derived 2-[N-carbamoylmethyl-alkylamino]acetic acids, substrate-dependent modulators of insulin-degrading enzyme in amyloid-beta hydrolysis. Eur.J.Med.Chem., 79, 2014
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6A2S
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![BU of 6a2s by Molmil](/molmil-images/mine/6a2s) | Mycobacterium tuberculosis LexA C-domain S160A | Descriptor: | DI(HYDROXYETHYL)ETHER, HEXAETHYLENE GLYCOL, LexA repressor | Authors: | Chandran, A.V, Srikalaivani, R, Paul, A, Vijayan, M. | Deposit date: | 2018-06-12 | Release date: | 2019-01-23 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Biochemical characterization of Mycobacterium tuberculosis LexA and structural studies of its C-terminal segment. Acta Crystallogr D Struct Biol, 75, 2019
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6A2T
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![BU of 6a2t by Molmil](/molmil-images/mine/6a2t) | Mycobacterium tuberculosis LexA C-domain K197A | Descriptor: | ACRYLIC ACID, LexA repressor | Authors: | Chandran, A.V, Srikalaivani, R, Paul, A, Vijayan, M. | Deposit date: | 2018-06-12 | Release date: | 2019-01-23 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Biochemical characterization of Mycobacterium tuberculosis LexA and structural studies of its C-terminal segment. Acta Crystallogr D Struct Biol, 75, 2019
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3D24
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![BU of 3d24 by Molmil](/molmil-images/mine/3d24) | Crystal structure of ligand-binding domain of estrogen-related receptor alpha (ERRalpha) in complex with the peroxisome proliferators-activated receptor coactivator-1alpha box3 peptide (PGC-1alpha) | Descriptor: | Peroxisome proliferator-activated receptor gamma coactivator 1-alpha, Steroid hormone receptor ERR1 | Authors: | Moras, D, Greschik, H, Flaig, R, Sato, Y, Rochel, N, Structural Proteomics in Europe (SPINE) | Deposit date: | 2008-05-07 | Release date: | 2008-06-10 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | Communication between the ERR{alpha} Homodimer Interface and the PGC-1{alpha} Binding Surface via the Helix 8-9 Loop. J.Biol.Chem., 283, 2008
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6A2Q
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![BU of 6a2q by Molmil](/molmil-images/mine/6a2q) | Mycobacterium tuberculosis LexA C-domain I | Descriptor: | GLYCEROL, LexA repressor | Authors: | Chandran, A.V, Srikalaivani, R, Paul, A, Vijayan, M. | Deposit date: | 2018-06-12 | Release date: | 2019-01-23 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Biochemical characterization of Mycobacterium tuberculosis LexA and structural studies of its C-terminal segment. Acta Crystallogr D Struct Biol, 75, 2019
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6A2R
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![BU of 6a2r by Molmil](/molmil-images/mine/6a2r) | Mycobacterium tuberculosis LexA C-domain II | Descriptor: | DI(HYDROXYETHYL)ETHER, LexA repressor | Authors: | Chandran, A.V, Srikalaivani, R, Paul, A, Vijayan, M. | Deposit date: | 2018-06-12 | Release date: | 2019-01-23 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Biochemical characterization of Mycobacterium tuberculosis LexA and structural studies of its C-terminal segment. Acta Crystallogr D Struct Biol, 75, 2019
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1VJB
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![BU of 1vjb by Molmil](/molmil-images/mine/1vjb) | crystal structure of the ligand-binding domain of the estrogen-related receptor gamma in complex with 4-hydroxytamoxifen | Descriptor: | 4-HYDROXYTAMOXIFEN, Estrogen-related receptor gamma | Authors: | Greschik, H, Flaig, R, Renaud, J.P, Moras, D. | Deposit date: | 2004-02-03 | Release date: | 2004-06-08 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structural Basis for the Deactivation of the Estrogen-related Receptor {gamma} by Diethylstilbestrol or 4-Hydroxytamoxifen and Determinants of Selectivity. J.Biol.Chem., 279, 2004
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1H6M
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![BU of 1h6m by Molmil](/molmil-images/mine/1h6m) | Covalent glycosyl-enzyme intermediate of hen egg white lysozyme | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-deoxy-2-fluoro-alpha-D-glucopyranose, LYSOZYME C, SODIUM ION | Authors: | Vocadlo, D.J, Davies, G.J, Laine, R, Withers, S.G. | Deposit date: | 2001-06-19 | Release date: | 2001-08-30 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Catalysis by Hen Egg-White Lysozyme Proceeds Via a Covalent Intermediate Nature, 412, 2001
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1AE9
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![BU of 1ae9 by Molmil](/molmil-images/mine/1ae9) | |
1S9P
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![BU of 1s9p by Molmil](/molmil-images/mine/1s9p) | crystal structure of the ligand-binding domain of the estrogen-related receptor gamma in complex with diethylstilbestrol | Descriptor: | DIETHYLSTILBESTROL, Estrogen-related receptor gamma | Authors: | Greschik, H, Flaig, R, Renaud, J.P, Moras, D. | Deposit date: | 2004-02-05 | Release date: | 2004-06-08 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | Structural Basis for the Deactivation of the Estrogen-related Receptor {gamma} by Diethylstilbestrol or 4-Hydroxytamoxifen and Determinants of Selectivity. J.Biol.Chem., 279, 2004
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1S9Q
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![BU of 1s9q by Molmil](/molmil-images/mine/1s9q) | crystal structure of the ligand-binding domain of the estrogen-related receptor gamma in complex with 4-hydroxytamoxifen | Descriptor: | 4-HYDROXYTAMOXIFEN, CHOLIC ACID, Estrogen-related receptor gamma | Authors: | Greschik, H, Flaig, R, Renaud, J.P, Moras, D. | Deposit date: | 2004-02-05 | Release date: | 2004-06-08 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural Basis for the Deactivation of the Estrogen-related Receptor {gamma} by Diethylstilbestrol or 4-Hydroxytamoxifen and Determinants of Selectivity. J.Biol.Chem., 279, 2004
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7ZFE
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![BU of 7zfe by Molmil](/molmil-images/mine/7zfe) | SARS-CoV-2 Omicron RBD in complex with Omi-32 Fab and nanobody C1 | Descriptor: | Nanobody C1, Omi-32 heavy chain, Omi-32 light chain, ... | Authors: | Zhou, D, Huo, J, Ren, J, Stuart, D.I. | Deposit date: | 2022-04-01 | Release date: | 2022-06-01 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3.25 Å) | Cite: | Potent cross-reactive antibodies following Omicron breakthrough in vaccinees. Cell, 185, 2022
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7ZFD
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![BU of 7zfd by Molmil](/molmil-images/mine/7zfd) | SARS-CoV-2 Omicron RBD in complex with Omi-25 Fab | Descriptor: | Omi-25 heavy chain, Omi-25 light chain, Spike protein S1 | Authors: | Zhou, D, Huo, J, Ren, J, Stuart, D.I. | Deposit date: | 2022-04-01 | Release date: | 2022-06-01 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3.39 Å) | Cite: | Potent cross-reactive antibodies following Omicron breakthrough in vaccinees. Cell, 185, 2022
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7ZFF
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![BU of 7zff by Molmil](/molmil-images/mine/7zff) | Omi-42 Fab | Descriptor: | GLYCEROL, Omi-42 Heavy chain, Omi-42 light chain | Authors: | Zhou, D, Huo, J, Ren, J, Stuart, D.I. | Deposit date: | 2022-04-01 | Release date: | 2022-06-01 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | Potent cross-reactive antibodies following Omicron breakthrough in vaccinees. Cell, 185, 2022
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