5KNV
 
 | | E coli hypoxanthine guanine phosphoribosyltransferase in complexed with 9-[(N-Phosphonoethyl-N-phosphonobutyl)-2-aminoethyl]-hypoxanthine | | Descriptor: | 2-[2-(6-oxidanylidene-1~{H}-purin-9-yl)ethyl-(4-phosphonobutyl)amino]ethylphosphonic acid, Hypoxanthine-guanine phosphoribosyltransferase, MAGNESIUM ION | | Authors: | Eng, W.S, Keough, D.T, Hockova, D, Janeba, Z. | | Deposit date: | 2016-06-28 | | Release date: | 2017-07-19 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.861 Å) | | Cite: | Crystal Structures of Acyclic Nucleoside Phosphonates in Complex with Escherichia coli Hypoxanthine Phosphoribosyltransferase
Chemistryselect, 1, 2016
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5KNS
 | | E coli hypoxanthine guanine phosphoribosyltransferase in complexed with 9-[(N-phosphonoethyl-N-phosphonoethoxyethyl)-2-aminoethyl]hypoxanthine | | Descriptor: | (2-{[2-(6-oxo-1,6-dihydro-9H-purin-9-yl)ethyl](2-{[(E)-2-phosphonoethenyl]oxy}ethyl)amino}ethyl)phosphonic acid, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Hypoxanthine-guanine phosphoribosyltransferase, ... | | Authors: | Eng, W.S, Keough, D.T, Hockova, D, Janeba, Z. | | Deposit date: | 2016-06-28 | | Release date: | 2017-07-19 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.792 Å) | | Cite: | Crystal Structures of Acyclic Nucleoside Phosphonates in Complex with Escherichia coli Hypoxanthine Phosphoribosyltransferase
Chemistryselect, 1, 2016
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1AQK
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7C2M
 | | Crystal structure of mycolic acid transporter MmpL3 from Mycobacterium smegmatis complexed with NITD-349 | | Descriptor: | (CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID, Chimera of drug exporters of the RND superfamily-like protein and Endolysin, N-(4,4-dimethylcyclohexyl)-4,6-bis(fluoranyl)-1H-indole-2-carboxamide, ... | | Authors: | Zhang, B, Yang, X, Hu, T, Rao, Z. | | Deposit date: | 2020-05-08 | | Release date: | 2020-12-02 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structural Basis for the Inhibition of Mycobacterial MmpL3 by NITD-349 and SPIRO.
J.Mol.Biol., 432, 2020
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7C2K
 | | COVID-19 RNA-dependent RNA polymerase pre-translocated catalytic complex | | Descriptor: | Non-structural protein 7, Non-structural protein 8, RNA (29-MER), ... | | Authors: | Wang, Q, Gao, Y, Ji, W, Mu, A, Rao, Z. | | Deposit date: | 2020-05-07 | | Release date: | 2020-06-03 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (2.93 Å) | | Cite: | Structural Basis for RNA Replication by the SARS-CoV-2 Polymerase.
Cell, 182, 2020
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7CAE
 | | Mycobacterium smegmatis LpqY-SugABC complex in the resting state | | Descriptor: | ABC sugar transporter, permease component, ABC transporter, ... | | Authors: | Liu, F, Liang, J, Zhang, B, Gao, Y, Yang, X, Hu, T, Rao, Z. | | Deposit date: | 2020-06-08 | | Release date: | 2020-12-02 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.44 Å) | | Cite: | Structural basis of trehalose recycling by the ABC transporter LpqY-SugABC.
Sci Adv, 6, 2020
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7D5I
 | | Structure of Mycobacterium smegmatis bd complex in the apo-form. | | Descriptor: | CIS-HEME D HYDROXYCHLORIN GAMMA-SPIROLACTONE, Cytochrome D ubiquinol oxidase subunit 1, HEME B/C, ... | | Authors: | Wang, W, Gong, H, Gao, Y, Zhou, X, Rao, Z. | | Deposit date: | 2020-09-26 | | Release date: | 2021-06-23 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (2.79 Å) | | Cite: | Cryo-EM structure of mycobacterial cytochrome bd reveals two oxygen access channels.
Nat Commun, 12, 2021
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7CYR
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7CY2
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7CZ2
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7E1V
 | | Cryo-EM structure of apo hybrid respiratory supercomplex consisting of Mycobacterium tuberculosis complexIII and Mycobacterium smegmatis complexIV | | Descriptor: | (2R)-2-(hexadecanoyloxy)-3-{[(S)-hydroxy{[(1R,2R,3R,4R,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propyl (9S)-9-methyloctadecanoate, (2R)-3-(((2-aminoethoxy)(hydroxy)phosphoryl)oxy)-2-(palmitoyloxy)propyl (E)-octadec-9-enoate, CARDIOLIPIN, ... | | Authors: | Zhou, S, Wang, W, Gao, Y, Gong, H, Rao, Z. | | Deposit date: | 2021-02-03 | | Release date: | 2021-10-13 | | Last modified: | 2022-07-27 | | Method: | ELECTRON MICROSCOPY (2.68 Å) | | Cite: | Structure of Mycobacterium tuberculosis cytochrome bcc in complex with Q203 and TB47, two anti-TB drug candidates.
Elife, 10, 2021
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7E1W
 | | Cryo-EM structure of hybrid respiratory supercomplex consisting of Mycobacterium tuberculosis complexIII and Mycobacterium smegmatis complexIV in the presence of Q203 | | Descriptor: | (2R)-2-(hexadecanoyloxy)-3-{[(S)-hydroxy{[(1R,2R,3R,4R,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propyl (9S)-9-methyloctadecanoate, (2R)-3-(((2-aminoethoxy)(hydroxy)phosphoryl)oxy)-2-(palmitoyloxy)propyl (E)-octadec-9-enoate, 6-chloranyl-2-ethyl-N-[[4-[4-[4-(trifluoromethyloxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide, ... | | Authors: | Zhou, S, Wang, W, Gao, Y, Gong, H, Rao, Z. | | Deposit date: | 2021-02-03 | | Release date: | 2021-10-27 | | Last modified: | 2022-07-27 | | Method: | ELECTRON MICROSCOPY (2.67 Å) | | Cite: | Structure of Mycobacterium tuberculosis cytochrome bcc in complex with Q203 and TB47, two anti-TB drug candidates.
Elife, 10, 2021
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7E1X
 | | Cryo-EM structure of hybrid respiratory supercomplex consisting of Mycobacterium tuberculosis complexIII and Mycobacterium smegmatis complexIV in presence of TB47 | | Descriptor: | (2R)-2-(hexadecanoyloxy)-3-{[(S)-hydroxy{[(1R,2R,3R,4R,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propyl (9S)-9-methyloctadecanoate, (2R)-3-(((2-aminoethoxy)(hydroxy)phosphoryl)oxy)-2-(palmitoyloxy)propyl (E)-octadec-9-enoate, 5-methoxy-2-methyl-~{N}-[[4-[4-[4-(trifluoromethyloxy)phenyl]piperidin-1-yl]phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide, ... | | Authors: | Zhou, S, Wang, W, Gao, Y, Gong, H, Rao, Z. | | Deposit date: | 2021-02-03 | | Release date: | 2021-10-27 | | Last modified: | 2022-07-27 | | Method: | ELECTRON MICROSCOPY (2.93 Å) | | Cite: | Structure of Mycobacterium tuberculosis cytochrome bcc in complex with Q203 and TB47, two anti-TB drug candidates.
Elife, 10, 2021
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7E5X
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7CYQ
 | | Cryo-EM structure of an extended SARS-CoV-2 replication and transcription complex reveals an intermediate state in cap synthesis | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, Helicase, MAGNESIUM ION, ... | | Authors: | Yan, L, Ge, J, Zheng, L, Zhang, Y, Gao, Y, Wang, T, Wang, H, Huang, Y, Li, M, Wang, Q, Rao, Z, Lou, Z. | | Deposit date: | 2020-09-04 | | Release date: | 2020-12-09 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (2.83 Å) | | Cite: | Cryo-EM Structure of an Extended SARS-CoV-2 Replication and Transcription Complex Reveals an Intermediate State in Cap Synthesis.
Cell, 184, 2021
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7DVW
 | | SARS-CoV-2 Mpro mutant (H41A) in complex with nsp5|6 peptidyl substrate | | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, nsp5/6 peptidyl substrate | | Authors: | Liu, X, Zhao, Y, Yang, H, Rao, Z. | | Deposit date: | 2021-01-15 | | Release date: | 2022-01-19 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | Structural basis for replicase polyprotein cleavage and substrate specificity of main protease from SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 119, 2022
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7DVY
 | | SARS-CoV-2 Mpro mutant (H41A) in complex with nsp9|10 peptidyl substrate | | Descriptor: | 3C-like proteinase, nsp9/10 peptidyl substrate | | Authors: | Liu, X, Zhao, Y, Yang, H, Rao, Z. | | Deposit date: | 2021-01-15 | | Release date: | 2022-01-19 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural basis for replicase polyprotein cleavage and substrate specificity of main protease from SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 119, 2022
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7DVX
 | | SARS-CoV-2 Mpro mutant (H41A) in complex with nsp6|7 peptidyl substrate | | Descriptor: | 3C-like proteinase, nsp6/7 peptidyl substrate | | Authors: | Liu, X, Zhao, Y, Yang, H, Rao, Z. | | Deposit date: | 2021-01-15 | | Release date: | 2022-01-19 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural basis for replicase polyprotein cleavage and substrate specificity of main protease from SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 119, 2022
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7DVP
 | | SARS-CoV-2 Mpro mutant (H41A) in complex with nsp4|5 peptidyl substrate | | Descriptor: | 3C-like proteinase, nsp4/5 peptidyl substrate | | Authors: | Liu, X, Zhao, Y, Yang, H, Rao, Z. | | Deposit date: | 2021-01-14 | | Release date: | 2022-01-19 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Structural basis for replicase polyprotein cleavage and substrate specificity of main protease from SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 119, 2022
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7DW0
 | | SARS-CoV-2 Mpro mutant (H41A) in complex with nsp14|15 peptidyl substrate | | Descriptor: | 3C-like proteinase, nsp14/15 peptidyl substrate | | Authors: | Liu, X, Zhao, Y, Yang, H, Rao, Z. | | Deposit date: | 2021-01-15 | | Release date: | 2022-01-19 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Structural basis for replicase polyprotein cleavage and substrate specificity of main protease from SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 119, 2022
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7DW6
 | | SARS-CoV-2 Mpro mutant (H41A) in complex with nsp15|16 peptidyl substrate | | Descriptor: | 3C-like proteinase, nsp15/16 peptidyl substrate | | Authors: | Liu, X, Zhao, Y, Yang, H, Rao, Z. | | Deposit date: | 2021-01-15 | | Release date: | 2022-01-19 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural basis for replicase polyprotein cleavage and substrate specificity of main protease from SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 119, 2022
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7D6X
 | | Mycobacterium smegmatis Sdh1 complex in the apo form | | Descriptor: | (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, FE2/S2 (INORGANIC) CLUSTER, FE3-S4 CLUSTER, ... | | Authors: | Zhou, X, Gao, Y, Wang, Q, Gong, H, Rao, Z. | | Deposit date: | 2020-10-02 | | Release date: | 2021-04-07 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (2.88 Å) | | Cite: | Architecture of the mycobacterial succinate dehydrogenase with a membrane-embedded Rieske FeS cluster.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7D6V
 | | Mycobacterium smegmatis Sdh1 in complex with UQ1 | | Descriptor: | (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, FE2/S2 (INORGANIC) CLUSTER, FE3-S4 CLUSTER, ... | | Authors: | Zhou, X, Gao, Y, Wang, Q, Gong, H, Rao, Z. | | Deposit date: | 2020-10-02 | | Release date: | 2021-04-07 | | Last modified: | 2022-02-16 | | Method: | ELECTRON MICROSCOPY (2.53 Å) | | Cite: | Architecture of the mycobacterial succinate dehydrogenase with a membrane-embedded Rieske FeS cluster.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7D7L
 | | The crystal structure of SARS-CoV-2 papain-like protease in complex with YM155 | | Descriptor: | 1-(2-methoxyethyl)-2-methyl-3-(pyrazin-2-ylmethyl)benzo[f]benzimidazol-3-ium-4,9-dione, CAFFEINE, GLYCEROL, ... | | Authors: | Zhao, Y, Sun, L, Yang, H.T, Rao, Z.H. | | Deposit date: | 2020-10-04 | | Release date: | 2021-04-21 | | Last modified: | 2021-11-17 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | High-throughput screening identifies established drugs as SARS-CoV-2 PLpro inhibitors.
Protein Cell, 12, 2021
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7D7K
 | | The crystal structure of SARS-CoV-2 papain-like protease in apo form | | Descriptor: | 1,2-ETHANEDIOL, CAFFEINE, Non-structural protein 3, ... | | Authors: | Zhao, Y, Sun, L, Yang, H.T, Rao, Z.H. | | Deposit date: | 2020-10-04 | | Release date: | 2021-04-21 | | Last modified: | 2021-11-17 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | High-throughput screening identifies established drugs as SARS-CoV-2 PLpro inhibitors.
Protein Cell, 12, 2021
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