4XAO
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![BU of 4xao by Molmil](/molmil-images/mine/4xao) | Crystal structure of the hPXR-LBD obtained in presence of the pesticide trans-nonachlor | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ISOPROPYL ALCOHOL, Nuclear receptor subfamily 1 group I member 2 | Authors: | Delfosse, V, Huet, T, Bourguet, W. | Deposit date: | 2014-12-15 | Release date: | 2015-09-09 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.58 Å) | Cite: | Synergistic activation of human pregnane X receptor by binary cocktails of pharmaceutical and environmental compounds. Nat Commun, 6, 2015
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4Y88
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3O6O
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![BU of 3o6o by Molmil](/molmil-images/mine/3o6o) | Crystal Structure of the N-terminal domain of an HSP90 from Trypanosoma Brucei, Tb10.26.1080 in the presence of an the inhibitor BIIB021 | Descriptor: | 6-chloro-9-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-9H-purin-2-amine, Heat shock protein 83, PENTAETHYLENE GLYCOL | Authors: | Wernimont, A.K, Hutchinson, A, Sullivan, H, Weadge, J, Li, Y, Kozieradzki, I, Cossar, D, Bochkarev, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Wyatt, P, Fairlamb, A.H, Ferguson, M.A.J, Thompson, S, MacKenzie, C, Hui, R, Pizarro, J.C, Hills, T, Structural Genomics Consortium (SGC) | Deposit date: | 2010-07-29 | Release date: | 2010-08-18 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Exploring the Trypanosoma brucei Hsp83 potential as a target for structure guided drug design. PLoS Negl Trop Dis, 7, 2013
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4Y8A
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4WUO
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![BU of 4wuo by Molmil](/molmil-images/mine/4wuo) | Structure of the E270A Mutant Isopropylmalate dehydrogenase from Thermus thermophilus in complex with IPM, Mn and NADH | Descriptor: | 3-ISOPROPYLMALIC ACID, 3-isopropylmalate dehydrogenase, ETHANOL, ... | Authors: | Pallo, A, Graczer, E, Olah, J, Szimler, T, Konarev, P.V, Svergun, D.I, Merli, A, Zavodszky, P, Vas, M, Weiss, M.S. | Deposit date: | 2014-11-03 | Release date: | 2014-11-12 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Glutamate 270 plays an essential role in K(+)-activation and domain closure of Thermus thermophilus isopropylmalate dehydrogenase. Febs Lett., 589, 2015
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4WF1
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![BU of 4wf1 by Molmil](/molmil-images/mine/4wf1) | Crystal structure of the E. coli ribosome bound to negamycin. | Descriptor: | 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ... | Authors: | Olivier, N.B, Altman, R.B, Noeske, J, Basarab, G.S, Code, E, Ferguson, A.D, Gao, N, Huang, J, Juette, M.F, Livchak, S, Miller, M.D, Prince, D.B, Cate, J.H.D, Buurman, E.T, Blanchard, S.C. | Deposit date: | 2014-09-11 | Release date: | 2014-11-05 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (3.09 Å) | Cite: | Negamycin induces translational stalling and miscoding by binding to the small subunit head domain of the Escherichia coli ribosome. Proc.Natl.Acad.Sci.USA, 111, 2014
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6HBU
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![BU of 6hbu by Molmil](/molmil-images/mine/6hbu) | Cryo-EM structure of the ABCG2 E211Q mutant bound to ATP and Magnesium | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, ATP-binding cassette sub-family G member 2, MAGNESIUM ION | Authors: | Manolaridis, I, Jackson, S.M, Taylor, N.M.I, Kowal, J, Stahlberg, H, Locher, K.P. | Deposit date: | 2018-08-13 | Release date: | 2018-11-07 | Last modified: | 2019-10-23 | Method: | ELECTRON MICROSCOPY (3.09 Å) | Cite: | Cryo-EM structures of a human ABCG2 mutant trapped in ATP-bound and substrate-bound states. Nature, 563, 2018
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6HCO
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![BU of 6hco by Molmil](/molmil-images/mine/6hco) | Cryo-EM structure of the ABCG2 E211Q mutant bound to estrone 3-sulfate and 5D3-Fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5D3-Fab heavy chain, 5D3-Fab light chain, ... | Authors: | Manolaridis, I, Jackson, S.M, Taylor, N.M.I, Kowal, J, Stahlberg, H, Locher, K.P. | Deposit date: | 2018-08-15 | Release date: | 2018-11-07 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (3.58 Å) | Cite: | Cryo-EM structures of a human ABCG2 mutant trapped in ATP-bound and substrate-bound states. Nature, 563, 2018
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4YIQ
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![BU of 4yiq by Molmil](/molmil-images/mine/4yiq) | Structure of the CEACAM6-CEACAM8 heterodimer | Descriptor: | CHLORIDE ION, Carcinoembryonic antigen-related cell adhesion molecule 6, Carcinoembryonic antigen-related cell adhesion molecule 8, ... | Authors: | Bonsor, D.A, Sundberg, E.J. | Deposit date: | 2015-03-02 | Release date: | 2015-10-07 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Diverse oligomeric states of CEACAM IgV domains. Proc.Natl.Acad.Sci.USA, 112, 2015
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4WF9
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![BU of 4wf9 by Molmil](/molmil-images/mine/4wf9) | The crystal structure of the large ribosomal subunit of Staphylococcus aureus in complex with telithromycin | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 23S ribosomal RNA, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | Authors: | Eyal, Z, Matzov, D, Krupkin, M, Wekselman, I, Zimmerman, E, Rozenberg, H, Bashan, A, Yonath, A.E. | Deposit date: | 2014-09-14 | Release date: | 2015-10-21 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.427 Å) | Cite: | Structural insights into species-specific features of the ribosome from the pathogen Staphylococcus aureus. Proc.Natl.Acad.Sci.USA, 112, 2015
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8W0W
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8W0Y
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3OPD
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![BU of 3opd by Molmil](/molmil-images/mine/3opd) | Crystal Structure of the N-terminal domain of an HSP90 from Trypanosoma Brucei, Tb10.26.1080 in the presence of a benzamide derivative | Descriptor: | 4-[6,6-dimethyl-4-oxo-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]-2-[(cis-4-hydroxycyclohexyl)amino]benzamide, Heat shock protein 83 | Authors: | Pizarro, J.C, Wernimont, A.K, Hutchinson, A, Sullivan, H, Chamberlain, K, Weadge, J, Cossar, D, Li, Y, Kozieradzki, I, Bochkarev, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Wyatt, P.G, Fairlamb, A.H, MacKenzie, C, Ferguson, M.A.J, Hui, R, Hills, T, Structural Genomics Consortium (SGC) | Deposit date: | 2010-08-31 | Release date: | 2010-10-13 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Exploring the Trypanosoma brucei Hsp83 potential as a target for structure guided drug design. PLoS Negl Trop Dis, 7, 2013
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3OMU
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![BU of 3omu by Molmil](/molmil-images/mine/3omu) | Crystal Structure of the N-terminal domain of an HSP90 from Trypanosoma Brucei, Tb10.26.1080 in the presence of a thienopyrimidine derivative | Descriptor: | 2-amino-4-{2,4-dichloro-5-[2-(diethylamino)ethoxy]phenyl}-N-ethylthieno[2,3-d]pyrimidine-6-carboxamide, Heat shock protein 83 | Authors: | Wernimont, A.K, Hutchinson, A, Sullivan, H, Weadge, J, Cossar, D, Li, Y, Kozieradzki, I, Bochkarev, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Wyatt, P.G, Fairlamb, A.H, MacKenzie, C, Ferguson, M.A.J, Hui, R, Pizarro, J.C, Hills, T, Structural Genomics Consortium (SGC) | Deposit date: | 2010-08-27 | Release date: | 2010-10-27 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Exploring the Trypanosoma brucei Hsp83 potential as a target for structure guided drug design. PLoS Negl Trop Dis, 7, 2013
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4WFB
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![BU of 4wfb by Molmil](/molmil-images/mine/4wfb) | The crystal structure of the large ribosomal subunit of Staphylococcus aureus in complex with BC-3205 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 23S rRNA, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | Authors: | Eyal, Z, Matzov, D, Krupkin, M, Wekselman, I, Zimmerman, E, Rozenberg, H, Bashan, A, Yonath, A.E. | Deposit date: | 2014-09-14 | Release date: | 2015-10-21 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.43 Å) | Cite: | Structural insights into species-specific features of the ribosome from the pathogen Staphylococcus aureus. Proc.Natl.Acad.Sci.USA, 112, 2015
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4X1G
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![BU of 4x1g by Molmil](/molmil-images/mine/4x1g) | Crystal structure of the hPXR-LBD in complex with the synthetic estrogen 17alpha-ethinylestradiol and the pesticide trans-nonachlor | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Ethinyl estradiol, ISOPROPYL ALCOHOL, ... | Authors: | Delfosse, V, Huet, T, Bourguet, W. | Deposit date: | 2014-11-24 | Release date: | 2015-09-09 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Synergistic activation of human pregnane X receptor by binary cocktails of pharmaceutical and environmental compounds. Nat Commun, 6, 2015
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8W0X
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8W0V
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4X1F
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![BU of 4x1f by Molmil](/molmil-images/mine/4x1f) | Crystal structure of the hPXR-LBD in complex with the synthetic estrogen 17alpha-ethinylestradiol | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Ethinyl estradiol, Nuclear receptor subfamily 1 group I member 2 | Authors: | Delfosse, V, Huet, T, Bourguet, W. | Deposit date: | 2014-11-24 | Release date: | 2015-09-09 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Synergistic activation of human pregnane X receptor by binary cocktails of pharmaceutical and environmental compounds. Nat Commun, 6, 2015
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4YLH
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![BU of 4ylh by Molmil](/molmil-images/mine/4ylh) | Crystal structure of DpgC with bound substrate analog and Xe on oxygen diffusion pathway | Descriptor: | DpgC, XENON, [(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-4-HYDROXY-3-(PHOSPHONOOXY)TETRAHYDROFURAN-2-YL]METHYL (3R)-4-({3-[(2-{[(3,5-DIHYDROXYPHENYL)ACETYL]AMINO}ETHYL)AMINO]-3-OXOPROPYL}AMINO)-3-HYDROXY-2,2-DIMETHYL-4-OXOBUTYL DIHYDROGEN DIPHOSPHATE | Authors: | Li, K, Di Russo, N.V, Condurso, H.L, Roitberg, A.E, Bruner, S.D. | Deposit date: | 2015-03-05 | Release date: | 2015-08-05 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.58 Å) | Cite: | Oxygen diffusion pathways in a cofactor-independent dioxygenase. Chem Sci, 6, 2015
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6HZM
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![BU of 6hzm by Molmil](/molmil-images/mine/6hzm) | Cryo-EM structure of the ABCG2 E211Q mutant bound to ATP and Magnesium (alternative placement of Magnesium into the cryo-EM density) | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, ATP-binding cassette sub-family G member 2, MAGNESIUM ION | Authors: | Manolaridis, I, Jackson, S.M, Taylor, N.M.I, Kowal, J, Stahlberg, H, Locher, K.P. | Deposit date: | 2018-10-23 | Release date: | 2018-11-14 | Last modified: | 2019-12-18 | Method: | ELECTRON MICROSCOPY (3.09 Å) | Cite: | Cryo-EM structures of a human ABCG2 mutant trapped in ATP-bound and substrate-bound states. Nature, 563, 2018
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4ZC7
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![BU of 4zc7 by Molmil](/molmil-images/mine/4zc7) | Paromomycin bound to a leishmanial ribosomal A-site | Descriptor: | PAROMOMYCIN, RNA duplex | Authors: | Shalev, M, Rozenberg, H, Jaffe, C.L, Adir, N, Baasov, T. | Deposit date: | 2015-04-15 | Release date: | 2015-08-26 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.041 Å) | Cite: | Structural basis for selective targeting of leishmanial ribosomes: aminoglycoside derivatives as promising therapeutics. Nucleic Acids Res., 43, 2015
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5VP2
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![BU of 5vp2 by Molmil](/molmil-images/mine/5vp2) | Crystal structure of the Thermus thermophilus 70S ribosome in complex with madumycin II and bound to mRNA and A-, P- and E-site tRNAs at 2.8A resolution | Descriptor: | 16S ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ... | Authors: | Osterman, I.A, Khabibullina, N.F, Komarova, E.S, Kasatsky, P, Kartsev, V.G, Bogdanov, A.A, Dontsova, O.A, Konevega, A.L, Sergiev, P.V, Polikanov, Y.S. | Deposit date: | 2017-05-04 | Release date: | 2017-06-28 | Last modified: | 2024-04-24 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Madumycin II inhibits peptide bond formation by forcing the peptidyl transferase center into an inactive state. Nucleic Acids Res., 45, 2017
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5ACL
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![BU of 5acl by Molmil](/molmil-images/mine/5acl) | Mcg immunoglobulin variable domain with sulfasalazine | Descriptor: | 2-HYDROXY-(5-([4-(2-PYRIDINYLAMINO)SULFONYL]PHENYL)AZO)BENZOIC ACID, MCG, SULFATE ION | Authors: | Brumshtein, B, Esswein, S.R, Salwinski, L, Phillips, M.L, Ly, A.T, Cascio, D, Sawaya, M.R, Eisenberg, D.S. | Deposit date: | 2015-08-17 | Release date: | 2015-12-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Inhibition by small-molecule ligands of formation of amyloid fibrils of an immunoglobulin light chain variable domain. Elife, 4, 2015
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5ACR
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![BU of 5acr by Molmil](/molmil-images/mine/5acr) | W228Y-Investigation of the impact from residues W228 and Y233 in the metallo-beta-lactamase GIM-1 | Descriptor: | CALCIUM ION, GIM-1 PROTEIN, ZINC ION | Authors: | Skagseth, S, Carlsen, T.J, Bjerga, G.E.K, Spencer, J, Samuelsen, O, Leiros, H.-K.S. | Deposit date: | 2015-08-17 | Release date: | 2015-12-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Role of Residues W228 and Y233 in the Structure and Activity of Metallo-Beta-Lactamase Gim-1. Antimicrob.Agents Chemother., 60, 2015
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