3EKO
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3EE1
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8J58
| Cryo-EM structure of Mycobacterium tuberculosis ATP synthase Fo in the apo-form | Descriptor: | ATP synthase subunit a, ATP synthase subunit c | Authors: | Zhang, Y, Lai, Y, Liu, F, Rao, Z, Gong, H. | Deposit date: | 2023-04-21 | Release date: | 2024-05-01 | Last modified: | 2024-08-21 | Method: | ELECTRON MICROSCOPY (3.15 Å) | Cite: | Inhibition of M. tuberculosis and human ATP synthase by BDQ and TBAJ-587. Nature, 631, 2024
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8J57
| Cryo-EM structure of Mycobacterium tuberculosis ATP synthase Fo in complex with bedaquiline(BDQ) | Descriptor: | ATP synthase subunit a, ATP synthase subunit c, Bedaquiline | Authors: | Zhang, Y, Lai, Y, Liu, F, Rao, Z, Gong, H. | Deposit date: | 2023-04-21 | Release date: | 2024-05-01 | Last modified: | 2024-08-21 | Method: | ELECTRON MICROSCOPY (2.85 Å) | Cite: | Inhibition of M. tuberculosis and human ATP synthase by BDQ and TBAJ-587. Nature, 631, 2024
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8J0T
| Cryo-EM structure of Mycobacterium tuberculosis ATP synthase in the apo-form | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase epsilon chain, ... | Authors: | Zhang, Y, Lai, Y, Liu, F, Rao, Z, Gong, H. | Deposit date: | 2023-04-11 | Release date: | 2024-05-22 | Last modified: | 2024-08-21 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Inhibition of M. tuberculosis and human ATP synthase by BDQ and TBAJ-587. Nature, 631, 2024
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8J0S
| Cryo-EM structure of Mycobacterium tuberculosis ATP synthase in complex with bedaquiline(BDQ) | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase epsilon chain, ... | Authors: | Zhang, Y, Lai, Y, Liu, F, Rao, Z, Gong, H. | Deposit date: | 2023-04-11 | Release date: | 2024-05-22 | Last modified: | 2024-08-21 | Method: | ELECTRON MICROSCOPY (2.58 Å) | Cite: | Inhibition of M. tuberculosis and human ATP synthase by BDQ and TBAJ-587. Nature, 631, 2024
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8K6L
| Cryo-EM structure of human OATP1B1 in complex with DCF | Descriptor: | 2',7'-bis(chloranyl)-3',6'-bis(oxidanyl)spiro[2-benzofuran-3,9'-xanthene]-1-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Shan, Z, Yang, X, Zhang, Y. | Deposit date: | 2023-07-25 | Release date: | 2023-09-13 | Last modified: | 2023-12-20 | Method: | ELECTRON MICROSCOPY (2.92 Å) | Cite: | Cryo-EM structures of human organic anion transporting polypeptide OATP1B1. Cell Res., 33, 2023
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3UDC
| Crystal structure of a membrane protein | Descriptor: | Small-conductance mechanosensitive channel, C-terminal peptide from Small-conductance mechanosensitive channel | Authors: | Li, W, Ge, J, Yang, M. | Deposit date: | 2011-10-28 | Release date: | 2012-10-31 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (3.355 Å) | Cite: | Structure and molecular mechanism of an anion-selective mechanosensitive channel of small conductance Proc.Natl.Acad.Sci.USA, 109, 2012
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6AX1
| Structure of human monoacylglycerol lipase bound to a covalent inhibitor | Descriptor: | 1,1,1,3,3,3-hexafluoropropan-2-yl 3-(3-phenyl-1,2,4-oxadiazol-5-yl)azetidine-1-carboxylate, GLYCEROL, Monoglyceride lipase | Authors: | Pandit, J. | Deposit date: | 2017-09-06 | Release date: | 2017-12-27 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Azetidine and Piperidine Carbamates as Efficient, Covalent Inhibitors of Monoacylglycerol Lipase. J. Med. Chem., 60, 2017
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8JR1
| Cryo-EM structure of Mycobacterium tuberculosis ATP synthase Fo in complex with TBAJ-587 | Descriptor: | (1~{S},2~{S})-1-(6-bromanyl-2-methoxy-quinolin-3-yl)-2-(2,6-dimethoxypyridin-4-yl)-4-(dimethylamino)-1-(2-fluoranyl-3-methoxy-phenyl)butan-2-ol, ATP synthase subunit a, ATP synthase subunit c | Authors: | Zhang, Y, Lai, Y, Liu, F, Rao, Z, Gong, H. | Deposit date: | 2023-06-15 | Release date: | 2024-05-01 | Last modified: | 2024-08-21 | Method: | ELECTRON MICROSCOPY (3.17 Å) | Cite: | Inhibition of M. tuberculosis and human ATP synthase by BDQ and TBAJ-587. Nature, 631, 2024
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8KHF
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8JR0
| Cryo-EM structure of Mycobacterium tuberculosis ATP synthase in complex with TBAJ-587 | Descriptor: | (1~{S},2~{S})-1-(6-bromanyl-2-methoxy-quinolin-3-yl)-2-(2,6-dimethoxypyridin-4-yl)-4-(dimethylamino)-1-(2-fluoranyl-3-methoxy-phenyl)butan-2-ol, ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ... | Authors: | Zhang, Y, Lai, Y, Liu, F, Rao, Z, Gong, H. | Deposit date: | 2023-06-15 | Release date: | 2024-05-01 | Last modified: | 2024-08-21 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Inhibition of M. tuberculosis and human ATP synthase by BDQ and TBAJ-587. Nature, 631, 2024
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8KI3
| Structure of the human ATP synthase bound to bedaquiline (composite) | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase F(0) complex subunit B1, ... | Authors: | Lai, Y, Zhang, Y, Gong, H. | Deposit date: | 2023-08-22 | Release date: | 2024-05-01 | Last modified: | 2024-08-21 | Method: | ELECTRON MICROSCOPY (2.89 Å) | Cite: | Inhibition of M. tuberculosis and human ATP synthase by BDQ and TBAJ-587. Nature, 631, 2024
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6MJ6
| Crystal structure of the mCD1d/xxx (JJ166) /iNKTCR ternary complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d1, ... | Authors: | Zajonc, D.M, Bitra, A, Janssens, J. | Deposit date: | 2018-09-20 | Release date: | 2019-01-09 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | 4"-O-Alkylated alpha-Galactosylceramide Analogues as iNKT-Cell Antigens: Synthetic, Biological, and Structural Studies. ChemMedChem, 14, 2019
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6MJ4
| Crystal structure of MCD1D/INKTCR TERNARY COMPLEX bound to glycolipid (XXW) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Zajonc, D.M, Bitra, A, Janssens, J. | Deposit date: | 2018-09-20 | Release date: | 2019-01-09 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | 4"-O-Alkylated alpha-Galactosylceramide Analogues as iNKT-Cell Antigens: Synthetic, Biological, and Structural Studies. ChemMedChem, 14, 2019
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6MIV
| Crystal structure of the mCD1d/xxq (JJ300)/iNKTCR ternary complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Zajonc, D.M, Bitra, A, Janssens, J. | Deposit date: | 2018-09-20 | Release date: | 2019-01-09 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | 4"-O-Alkylated alpha-Galactosylceramide Analogues as iNKT-Cell Antigens: Synthetic, Biological, and Structural Studies. ChemMedChem, 14, 2019
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6MJA
| Crystal structure of the mCD1d/xxo (JJ294) /iNKTCR ternary complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d1, ... | Authors: | Zajonc, D.M, Bitra, A, Janssens, J. | Deposit date: | 2018-09-20 | Release date: | 2019-01-09 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | 4"-O-Alkylated alpha-Galactosylceramide Analogues as iNKT-Cell Antigens: Synthetic, Biological, and Structural Studies. ChemMedChem, 14, 2019
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6MJQ
| Crystal structure of the mCD1d/xxp (JJ295) /iNKTCR ternary complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d1, ... | Authors: | Zajonc, D.M, Bitra, A, Janssens, J. | Deposit date: | 2018-09-21 | Release date: | 2019-01-09 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | 4"-O-Alkylated alpha-Galactosylceramide Analogues as iNKT-Cell Antigens: Synthetic, Biological, and Structural Studies. ChemMedChem, 14, 2019
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6MJI
| Crystal structure of the mCD1d/xxs (JJ304) /iNKTCR ternary complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d1, ... | Authors: | Zajonc, D.M, Bitra, A, Janssens, J. | Deposit date: | 2018-09-20 | Release date: | 2019-01-09 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | 4"-O-Alkylated alpha-Galactosylceramide Analogues as iNKT-Cell Antigens: Synthetic, Biological, and Structural Studies. ChemMedChem, 14, 2019
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7YW5
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4JLK
| Human dCK C4S-S74E mutant in complex with UDP and the F2.2.1 inhibitoR (2-[({2-[3-(2-FLUOROETHOXY)-4-METHOXYPHENYL]-5-METHYL-1,3-THIAZOL-4-YL}METHYL)SULFANYL]PYRIMIDINE-4,6-DIAMINE) | Descriptor: | 2-[({2-[3-(2-fluoroethoxy)-4-methoxyphenyl]-5-methyl-1,3-thiazol-4-yl}methyl)sulfanyl]pyrimidine-4,6-diamine, Deoxycytidine kinase, URIDINE-5'-DIPHOSPHATE | Authors: | Nomme, J, Lavie, A. | Deposit date: | 2013-03-12 | Release date: | 2013-09-18 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Development of new deoxycytidine kinase inhibitors and noninvasive in vivo evaluation using positron emission tomography. J.Med.Chem., 56, 2013
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4JND
| Structure of a C.elegans sex determining protein | Descriptor: | Ca(2+)/calmodulin-dependent protein kinase phosphatase, MAGNESIUM ION | Authors: | Feng, Y, Zhang, Y, Ge, J, Yang, M. | Deposit date: | 2013-03-15 | Release date: | 2013-06-19 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.652 Å) | Cite: | Structural insight into Caenorhabditis elegans sex-determining protein FEM-2. J.Biol.Chem., 288, 2013
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4BEW
| SERCA bound to phosphate analogue | Descriptor: | (6AR,11AS,11BR)-10-ACETYL-9-HYDROXY-7,7-DIMETHYL-2,6,6A,7,11A,11B-HEXAHYDRO-11H-PYRROLO[1',2':2,3]ISOINDOLO[4,5,6-CD]INDOL-11-ONE, ACETATE ION, MAGNESIUM ION, ... | Authors: | Drachmann, N.D, Mattle, D, Laursen, M, Bublitz, M, Olesen, C, Moeller, J.V, Nissen, P, Morth, J.P. | Deposit date: | 2013-03-12 | Release date: | 2014-02-19 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Serca Bound to Phosphate Analogue To be Published
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1JQM
| Fitting of L11 protein and elongation factor G (EF-G) in the cryo-em map of e. coli 70S ribosome bound with EF-G, GDP and fusidic acid | Descriptor: | 50S Ribosomal protein L11, Elongation Factor G | Authors: | Agrawal, R.K, Linde, J, Segupta, J, Nierhaus, K.H, Frank, J. | Deposit date: | 2001-08-07 | Release date: | 2001-09-07 | Last modified: | 2024-02-07 | Method: | ELECTRON MICROSCOPY (18 Å) | Cite: | Localization of L11 protein on the ribosome and elucidation of its involvement in EF-G-dependent translocation. J.Mol.Biol., 311, 2001
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6MNH
| ULK1 Unc-51 like autophagy activating kinase in complex with inhibitor BTC | Descriptor: | CHLORIDE ION, DIMETHYL SULFOXIDE, N-[(2R)-3-methylbutan-2-yl]-1H-benzotriazole-6-carboxamide, ... | Authors: | Hendle, J, Sauder, J.M, Hickey, M.J, Rauch, C.T, Maletic, M, Schwinn, K.D. | Deposit date: | 2018-10-01 | Release date: | 2019-03-27 | Last modified: | 2019-11-13 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Idea2Data: Toward a New Paradigm for Drug Discovery. Acs Med.Chem.Lett., 10, 2019
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