8XMG
 
 | | Cryo-EM structure of SARS-CoV-2 Omicron HV.1 spike protein(6P), RBD-closed state | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | | Authors: | Li, L.J, Gu, Y.H, Shi, K.Y, Qi, J.X, Gao, G.F. | | Deposit date: | 2023-12-27 | | Release date: | 2024-07-03 | | Last modified: | 2024-08-21 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Spike structures, receptor binding, and immune escape of recently circulating SARS-CoV-2 Omicron BA.2.86, JN.1, EG.5, EG.5.1, and HV.1 sub-variants.
Structure, 32, 2024
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8XNF
 | | Cryo-EM structure of SARS-CoV-2 Omicron BA.2.86 spike protein(6P) in complex with human ACE2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ... | | Authors: | Li, L.J, Gu, Y.H, Shi, K.Y, Qi, J.X, Gao, G.F. | | Deposit date: | 2023-12-29 | | Release date: | 2024-07-03 | | Last modified: | 2024-08-21 | | Method: | ELECTRON MICROSCOPY (3.26 Å) | | Cite: | Spike structures, receptor binding, and immune escape of recently circulating SARS-CoV-2 Omicron BA.2.86, JN.1, EG.5, EG.5.1, and HV.1 sub-variants.
Structure, 32, 2024
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6A71
 | | Crystal Structure of Human ATP7B and TM Complex | | Descriptor: | ATP7B protein, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Chen, W.B. | | Deposit date: | 2018-06-30 | | Release date: | 2019-04-03 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Tetrathiomolybdate induces dimerization of the metal-binding domain of ATPase and inhibits platination of the protein.
Nat Commun, 10, 2019
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7T5S
 | | P. aeruginosa LpxA in complex with ligand H16 | | Descriptor: | Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase, N~2~-(cyclohexylacetyl)-N-1H-tetrazol-5-yl-L-alaninamide | | Authors: | Sacco, M, Chen, Y. | | Deposit date: | 2021-12-13 | | Release date: | 2022-07-06 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structure-Based Ligand Design Targeting Pseudomonas aeruginosa LpxA in Lipid A Biosynthesis.
Acs Infect Dis., 8, 2022
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7T5R
 | | P. aeruginosa LpxA in complex with ligand H7 | | Descriptor: | 3-bromo-N-[3-(1H-tetrazol-5-yl)phenyl]-1H-indole-5-carboxamide, Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase, GLYCEROL | | Authors: | Sacco, M, Chen, Y. | | Deposit date: | 2021-12-13 | | Release date: | 2022-07-06 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structure-Based Ligand Design Targeting Pseudomonas aeruginosa LpxA in Lipid A Biosynthesis.
Acs Infect Dis., 8, 2022
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7T5X
 | | P. aeruginosa LpxA in complex with ligand L6 | | Descriptor: | Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase, Nalpha-(tert-butoxycarbonyl)-N-1H-tetrazol-5-yl-D-tryptophanamide | | Authors: | Sacco, M, Chen, Y. | | Deposit date: | 2021-12-13 | | Release date: | 2022-07-06 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure-Based Ligand Design Targeting Pseudomonas aeruginosa LpxA in Lipid A Biosynthesis.
Acs Infect Dis., 8, 2022
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7T5Z
 | | P. aeruginosa LpxA in complex with ligand L8 | | Descriptor: | (4S)-N-(1H-tetrazol-5-yl)-2-[3-(trifluoromethyl)benzene-1-sulfonyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide, Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase, DI(HYDROXYETHYL)ETHER | | Authors: | Sacco, M, Chen, Y. | | Deposit date: | 2021-12-13 | | Release date: | 2022-07-06 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Structure-Based Ligand Design Targeting Pseudomonas aeruginosa LpxA in Lipid A Biosynthesis.
Acs Infect Dis., 8, 2022
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7T61
 | | P. aeruginosa LpxA in complex with ligand L15 | | Descriptor: | (3S)-3-({[(Z)-phenylmethylidene]carbamoyl}amino)-N-(1H-tetrazol-5-yl)-1-[3-(trifluoromethyl)benzoyl]-2,3-dihydro-1H-indole-3-carboxamide, ACETATE ION, Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase, ... | | Authors: | Sacco, M, Chen, Y. | | Deposit date: | 2021-12-13 | | Release date: | 2022-07-06 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure-Based Ligand Design Targeting Pseudomonas aeruginosa LpxA in Lipid A Biosynthesis.
Acs Infect Dis., 8, 2022
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7T60
 | | P. aeruginosa LpxA in complex with ligand L13 | | Descriptor: | (3S)-3-(5,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl)-N-(1H-tetrazol-5-yl)-1-[3-(trifluoromethyl)benzoyl]-2,3-dihydro-1H-indole-3-carboxamide, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase, ... | | Authors: | Sacco, M, Chen, Y. | | Deposit date: | 2021-12-13 | | Release date: | 2022-07-06 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure-Based Ligand Design Targeting Pseudomonas aeruginosa LpxA in Lipid A Biosynthesis.
Acs Infect Dis., 8, 2022
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8HVS
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8TAF
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8HZ5
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8HZ4
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8TAD
 | | RTA in complex with inhibitor RUNT-206 | | Descriptor: | (9aM)-5,5-dimethyl-4,5-dihydronaphtho[1,2-b]thiophene-2-carboxylic acid, CHLORIDE ION, NONAETHYLENE GLYCOL, ... | | Authors: | Rudolph, M.J, Tumer, N. | | Deposit date: | 2023-06-27 | | Release date: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.76 Å) | | Cite: | Structure-based design and optimization of a new class of small molecule inhibitors targeting the P-stalk binding pocket of ricin.
Bioorg.Med.Chem., 100, 2024
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5YF1
 | | Crystal structure of CARNMT1 bound to carnosine and SFG | | Descriptor: | (2~{S})-2-(3-azanylpropanoylamino)-3-(1~{H}-imidazol-4-yl)propanoic acid, 1,2-ETHANEDIOL, ACETATE ION, ... | | Authors: | Cao, R, Li, H. | | Deposit date: | 2017-09-20 | | Release date: | 2018-08-01 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.399 Å) | | Cite: | Molecular basis for histidine N1 position-specific methylation by CARNMT1.
Cell Res., 28, 2018
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8T9V
 | | RTA-RUNT-59 complex structure | | Descriptor: | (9aP)-7-fluoro-4,5-dihydronaphtho[1,2-b]thiophene-2-carboxylic acid, NONAETHYLENE GLYCOL, Ricin | | Authors: | Rudolph, M.J, Tumer, N. | | Deposit date: | 2023-06-26 | | Release date: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.945 Å) | | Cite: | Structure-based design and optimization of a new class of small molecule inhibitors targeting the P-stalk binding pocket of ricin.
Bioorg.Med.Chem., 100, 2024
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8TAB
 | | RTA-PD00589 | | Descriptor: | 1,2-ETHANEDIOL, 4H,5H-naphtho[1,2-b]thiophene-2-carboxylic acid, CHLORIDE ION, ... | | Authors: | Rudolph, M.J, Tumer, N. | | Deposit date: | 2023-06-27 | | Release date: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Structure-based design and optimization of a new class of small molecule inhibitors targeting the P-stalk binding pocket of ricin.
Bioorg.Med.Chem., 100, 2024
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8J5O
 | | Cryo-EM structure of native RC-LH complex from Roseiflexus castenholzii at 100lux | | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, 2-methyl-3-[(2E,6E,10E,14E,18E,22E,26E,30E,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,1 4,18,22,26,30,34,38,42-undecaen-1-yl]naphthalene-1,4-dione, Alpha subunit of light-harvesting 1, ... | | Authors: | Xu, X, Xin, J. | | Deposit date: | 2023-04-24 | | Release date: | 2023-09-20 | | Last modified: | 2023-10-04 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Carotenoid assembly regulates quinone diffusion and the Roseiflexus castenholzii reaction center-light harvesting complex architecture.
Elife, 12, 2023
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7TOB
 | | Crystal structure of the SARS-CoV-2 Omicron main protease (Mpro) in complex with inhibitor GC376 | | Descriptor: | (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5, DI(HYDROXYETHYL)ETHER | | Authors: | Sacco, M.D, Wang, J, Chen, Y. | | Deposit date: | 2022-01-24 | | Release date: | 2022-02-02 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | The P132H mutation in the main protease of Omicron SARS-CoV-2 decreases thermal stability without compromising catalysis or small-molecule drug inhibition.
Cell Res., 32, 2022
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6B1E
 | | The structure of DPP4 in complex with Vildagliptin | | 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-{[(1r,3s,5R,7S)-3-hydroxytricyclo[3.3.1.1~3,7~]decan-1-yl]amino}-1-{(2S)-2-[(E)-iminomethyl]pyrrolidin-1-yl}ethan-1-o ne, ... | | Authors: | Scapin, G. | | Deposit date: | 2017-09-18 | | Release date: | 2017-09-27 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | A comparative study of the binding properties, dipeptidyl peptidase-4 (DPP-4) inhibitory activity and glucose-lowering efficacy of the DPP-4 inhibitors alogliptin, linagliptin, saxagliptin, sitagliptin and vildagliptin in mice.
Endocrinol Diabetes Metab, 1, 2018
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6LEB
 | | Staphylococcus aureus surface protein SdrC mutant-P366H | | Descriptor: | GLYCEROL, MAGNESIUM ION, Ser-Asp rich fibrinogen-binding, ... | | Authors: | Hang, T, Zhang, M, Wang, J. | | Deposit date: | 2019-11-25 | | Release date: | 2020-11-25 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Structural insights into the intermolecular interaction of the adhesin SdrC in the pathogenicity of Staphylococcus aureus.
Acta Crystallogr.,Sect.F, 77, 2021
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7X45
 | | Grass carp interferon gamma related | | Descriptor: | Interferon gamma | | Authors: | Wang, J, Zou, J, Zhu, X. | | Deposit date: | 2022-03-02 | | Release date: | 2022-09-14 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Novel Dimeric Architecture of an IFN-gamma-Related Cytokine Provides Insights into Subfunctionalization of Type II IFNs in Teleost Fish.
J Immunol., 209, 2022
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6B1O
 | | The structure of DPP4 in complex with Vildagliptin Analog | | Descriptor: | (2S)-2-amino-1-[(1S,3S,5S)-3-(aminomethyl)-2-azabicyclo[3.1.0]hexan-2-yl]-2-[(1r,3R,5S,7S)-3,5-dihydroxytricyclo[3.3.1.1~3,7~]decan-1-yl]ethan-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: | Scapin, G. | | Deposit date: | 2017-09-18 | | Release date: | 2017-09-27 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | A comparative study of the binding properties, dipeptidyl peptidase-4 (DPP-4) inhibitory activity and glucose-lowering efficacy of the DPP-4 inhibitors alogliptin, linagliptin, saxagliptin, sitagliptin and vildagliptin in mice.
Endocrinol Diabetes Metab, 1, 2018
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6BEK
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4HBK
 | | Structure of the Aldose Reductase from Schistosoma japonicum | | Descriptor: | Aldo-keto reductase family 1, member B4 (Aldose reductase) | | Authors: | Liu, J, Cheng, J, Zhang, X, Yang, Z, Hu, W, Xu, Y. | | Deposit date: | 2012-09-28 | | Release date: | 2013-06-26 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Aldose reductase from Schistosoma japonicum: crystallization and structure-based inhibitor screening for discovering antischistosomal lead compounds.
Parasit Vectors, 6, 2013
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