7DAU
 
 | | The crystal structure of COVID-19 main protease treated by GA | | Descriptor: | COVID-19 MAIN PROTEASE, GOLD ION | | Authors: | He, Z.S, He, B, Cao, P, Jiang, H.D, Gong, Y, Gao, X.Y. | | Deposit date: | 2020-10-18 | | Release date: | 2021-11-03 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | A comparison of Remdesivir versus gold cluster in COVID-19 animal model: A better therapeutic outcome of gold cluster.
Nano Today, 44, 2022
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7F36
 | | TacT complexed with acetyl-glycyl-tRNAGly | | Descriptor: | ACETYLAMINO-ACETIC ACID, CALCIUM ION, N-acetyltransferase domain-containing protein, ... | | Authors: | Yashiro, Y, Tomita, K. | | Deposit date: | 2021-06-15 | | Release date: | 2021-12-22 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.098 Å) | | Cite: | Molecular basis of glycyl-tRNAGly acetylation by TacT from Salmonella Typhimurium
Cell Rep, 37, 2021
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7F37
 | | Crystal structure of AtaT2-AtaR2 complex | | Descriptor: | DUF1778 domain-containing protein, GNAT family N-acetyltransferase | | Authors: | Yashiro, Y, Tomita, K. | | Deposit date: | 2021-06-15 | | Release date: | 2021-12-22 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.896 Å) | | Cite: | Molecular basis of glycyl-tRNAGly acetylation by TacT from Salmonella Typhimurium
Cell Rep, 37, 2021
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7F2S
 | | Crystal structure of anti S-gatifloxacin antibody Fab fragment apo form | | Descriptor: | 1,2-ETHANEDIOL, Antibody Fab fragment heavy chain, Antibody Fab fragment light chain, ... | | Authors: | Wang, L.T, Jiao, W.Y, Shen, X, Lei, H.T. | | Deposit date: | 2021-06-14 | | Release date: | 2021-12-29 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.62 Å) | | Cite: | Conformational adaptability determining antibody recognition to distomer: structure analysis of enantioselective antibody against chiral drug gatifloxacin
Rsc Adv, 11, 2021
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7F35
 | | Crystal structure of anti S-gatifloxacin antibody Fab fragment in complex with S-gatifloxacin | | Descriptor: | 1,2-ETHANEDIOL, 1-cyclopropyl-6-fluoro-8-methoxy-7-[(3S)-3-methylpiperazin-1-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, Antibody Fab fragment heavy chain, ... | | Authors: | Wang, L.T, Jiao, W.Y, Shen, X, Lei, H.T. | | Deposit date: | 2021-06-15 | | Release date: | 2021-12-29 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Conformational adaptability determining antibody recognition to distomer: structure analysis of enantioselective antibody against chiral drug gatifloxacin
Rsc Adv, 11, 2021
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7FAR
 | | Crystal structure of PDE5A in complex with inhibitor L12 | | Descriptor: | 5-[bis(fluoranyl)methoxy]-2-[(4-chlorophenyl)methyl]-10-(3-methoxypropyl)-3,10-diazatricyclo[6.4.1.0^{4,13}]trideca-1,4(13),5,7-tetraen-9-one, MAGNESIUM ION, ZINC ION, ... | | Authors: | Wu, D, Huang, Y.Y, Luo, H.B. | | Deposit date: | 2021-07-07 | | Release date: | 2022-05-18 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.40006471 Å) | | Cite: | Free energy perturbation (FEP)-guided scaffold hopping.
Acta Pharm Sin B, 12, 2022
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7FAQ
 | | Crystal structure of PDE5A in complex with inhibitor L1 | | Descriptor: | 2-[(4-chlorophenyl)methyl]-5-methoxy-3,10-diazatricyclo[6.4.1.0^{4,13}]trideca-1,4(13),5,7-tetraen-9-one, MAGNESIUM ION, SULFATE ION, ... | | Authors: | Wu, D, Huang, Y.Y, Luo, H.B. | | Deposit date: | 2021-07-07 | | Release date: | 2022-05-18 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.200136 Å) | | Cite: | Free energy perturbation (FEP)-guided scaffold hopping.
Acta Pharm Sin B, 12, 2022
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7EXC
 | | Crystal structure of T2R-TTL-1129A2 complex | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GLYCEROL, ... | | Authors: | Yang, J.H, Yan, W. | | Deposit date: | 2021-05-26 | | Release date: | 2022-06-01 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.39 Å) | | Cite: | Structure-Based Design and Synthesis of N-Substituted 3-Amino-beta-Carboline Derivatives as Potent alpha beta-Tubulin Degradation Agents
J.Med.Chem., 65, 2022
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7WK5
 | | Cryo-EM structure of Omicron S-ACE2, C2 state | | Descriptor: | Angiotensin-converting enzyme 2, Spike glycoprotein | | Authors: | Han, W.Y, Wang, Y.F. | | Deposit date: | 2022-01-08 | | Release date: | 2022-02-02 | | Last modified: | 2022-03-09 | | Method: | ELECTRON MICROSCOPY (3.66 Å) | | Cite: | Molecular basis of SARS-CoV-2 Omicron variant receptor engagement and antibody evasion and neutralization
Biorxiv, 2022
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7WK3
 | | SARS-CoV-2 Omicron S-open | | Descriptor: | Spike glycoprotein | | Authors: | Li, J.W, Cong, Y. | | Deposit date: | 2022-01-08 | | Release date: | 2022-01-26 | | Last modified: | 2024-11-06 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Structural basis for ACE2 engagement and antibody evasion and neutralization of SARS-Co-2 Omicron varient
To Be Published
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7WLK
 | | CryoEM structure of human low-voltage activated T-type calcium channel Cav3.3 in complex with Otilonium Bromide(OB) | | Descriptor: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-[diethyl(methyl)-$l^{4}-azanyl]ethyl 4-[(2-octoxyphenyl)carbonylamino]benzoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | He, L, Yu, Z, Dong, Y, Chen, Q, Zhao, Y. | | Deposit date: | 2022-01-13 | | Release date: | 2022-05-04 | | Last modified: | 2022-05-25 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Structure, gating, and pharmacology of human Ca V 3.3 channel.
Nat Commun, 13, 2022
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7WLL
 | | CryoEM structure of human low-voltage activated T-type calcium channel Cav3.3 in complex with pimozide(PMZ) | | Descriptor: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-[1-[4,4-bis(4-fluorophenyl)butyl]piperidin-4-yl]-1~{H}-benzimidazol-2-one, ... | | Authors: | He, L, Yu, Z, Dong, Y, Chen, Q, Zhao, Y. | | Deposit date: | 2022-01-13 | | Release date: | 2022-05-04 | | Last modified: | 2022-05-25 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Structure, gating, and pharmacology of human Ca V 3.3 channel.
Nat Commun, 13, 2022
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7WLJ
 | | CryoEM structure of human low-voltage activated T-type calcium channel Cav3.3 in complex with mibefradil (MIB) | | Descriptor: | (1S,2S)-2-(2-{[3-(1H-benzimidazol-2-yl)propyl](methyl)amino}ethyl)-6-fluoro-1-(propan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-yl methoxyacetate, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | He, L, Yu, Z, Dong, Y, Chen, Q, Zhao, Y. | | Deposit date: | 2022-01-13 | | Release date: | 2022-05-04 | | Last modified: | 2024-11-06 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Structure, gating, and pharmacology of human Ca V 3.3 channel.
Nat Commun, 13, 2022
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7WLI
 | | CryoEM structure of human low-voltage activated T-type calcium channel CaV3.3 (apo) | | Descriptor: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | He, L, Yu, Z, Dong, Y, Chen, Q, Zhao, Y. | | Deposit date: | 2022-01-13 | | Release date: | 2022-05-04 | | Last modified: | 2024-10-30 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Structure, gating, and pharmacology of human Ca V 3.3 channel.
Nat Commun, 13, 2022
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7YP3
 | | Crystal structure of elaiophylin glycosyltransferase in complex with elaiophylin | | Descriptor: | ACETATE ION, Elaiophylin, GLYCEROL, ... | | Authors: | Xu, T, Liu, Q, Gan, Q, Liu, J. | | Deposit date: | 2022-08-02 | | Release date: | 2022-11-02 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Substrate-induced dimerization of elaiophylin glycosyltransferase reveals a novel self-activating form of glycosyltransferase for symmetric glycosylation.
Acta Crystallogr D Struct Biol, 78, 2022
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7YP6
 | | Crystal structure of elaiophylin glycosyltransferase in complex with UDP | | Descriptor: | Glycosyltransferase, R-1,2-PROPANEDIOL, URIDINE-5'-DIPHOSPHATE | | Authors: | Xu, T, Liu, Q, Gan, Q, Liu, J. | | Deposit date: | 2022-08-02 | | Release date: | 2022-11-02 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Substrate-induced dimerization of elaiophylin glycosyltransferase reveals a novel self-activating form of glycosyltransferase for symmetric glycosylation.
Acta Crystallogr D Struct Biol, 78, 2022
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7YP5
 | | Crystal structure of elaiophylin glycosyltransferase in complex with TDP | | Descriptor: | CHLORIDE ION, Glycosyltransferase, R-1,2-PROPANEDIOL, ... | | Authors: | Xu, T, Liu, Q, Gan, Q, Liu, J. | | Deposit date: | 2022-08-02 | | Release date: | 2022-11-02 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | Substrate-induced dimerization of elaiophylin glycosyltransferase reveals a novel self-activating form of glycosyltransferase for symmetric glycosylation.
Acta Crystallogr D Struct Biol, 78, 2022
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7YP4
 | | Crystal structure of elaiophylin glycosyltransferase in apo-form | | Descriptor: | Glycosyltransferase, R-1,2-PROPANEDIOL | | Authors: | Xu, T, Liu, Q, Gan, Q, Liu, J. | | Deposit date: | 2022-08-02 | | Release date: | 2022-11-02 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Substrate-induced dimerization of elaiophylin glycosyltransferase reveals a novel self-activating form of glycosyltransferase for symmetric glycosylation.
Acta Crystallogr D Struct Biol, 78, 2022
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6IH0
 | | Aquifex aeolicus LpxC complex with ACHN-975 | | Descriptor: | N-[(2S)-3-azanyl-3-methyl-1-(oxidanylamino)-1-oxidanylidene-butan-2-yl]-4-[4-[(1R,2R)-2-(hydroxymethyl)cyclopropyl]buta -1,3-diynyl]benzamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION, ... | | Authors: | Li, D.Y, Fan, S, Jin, Y.Y, Zhang, C, Lv, G.X, Wu, G.T, Yang, Z.Y. | | Deposit date: | 2018-09-27 | | Release date: | 2019-01-30 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.21 Å) | | Cite: | The Complex Structure of Protein AaLpxC from Aquifex aeolicus with ACHN-975 Molecule Suggests an Inhibitory Mechanism at Atomic-Level against Gram-Negative Bacteria
Molecules, 26, 2021
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7BYI
 | | Structure of SHMT2 in complex with CBX | | Descriptor: | CARBENOXOLONE, DI(HYDROXYETHYL)ETHER, PHOSPHATE ION, ... | | Authors: | Li, L, Chen, Y, Lu, D, Zhang, C, Su, D. | | Deposit date: | 2020-04-23 | | Release date: | 2021-09-15 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.76 Å) | | Cite: | Structure of SHMT2 with CBX
To Be Published
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