9IIA
 
 | | Crystal structure of the free histidine prenyltransferase FunA | | Descriptor: | 2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXYL, Dimethylallyl tryptophan synthase GliD1, METHOXY-ETHOXYL, ... | | Authors: | Chen, X, Liu, Z, Dai, S, Zou, Y. | | Deposit date: | 2024-06-19 | | Release date: | 2024-12-11 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | Discovery, Characterization and Engineering of the Free l-Histidine C4 -Prenyltransferase.
J.Am.Chem.Soc., 146, 2024
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9DZV
 | | Cryo-EM structure of the C. neoformans lipid flippase Apt1-Cdc50 in the E1 state | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, MAGNESIUM ION, ... | | Authors: | Duan, H.D, Li, H. | | Deposit date: | 2024-10-17 | | Release date: | 2025-02-05 | | Method: | ELECTRON MICROSCOPY (3.27 Å) | | Cite: | Butyrolactol A is a phospholipid flippase inhibitor that potentiates the bioactivity of caspofungin against resistant fungi.
Biorxiv, 2025
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9DZU
 | | Cryo-EM structure of the C. neoformans lipid flippase Apt1-Cdc50 bound with butyrolactol A in the E2P state | | Descriptor: | (3R,4R,5S)-3,4-dihydroxy-5-[(1R,2R,3S,4S,5R,6R,8E,10E,14E,16Z)-1,2,3,4,5-pentahydroxy-6,20,20-trimethylhenicosa-8,10,14,16-tetraen-1-yl]oxolan-2-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: | Duan, H.D, Li, H. | | Deposit date: | 2024-10-17 | | Release date: | 2025-02-05 | | Last modified: | 2025-05-21 | | Method: | ELECTRON MICROSCOPY (2.72 Å) | | Cite: | Butyrolactol A is a phospholipid flippase inhibitor that potentiates the bioactivity of caspofungin against resistant fungi.
Biorxiv, 2025
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8IGN
 | | Crystal structure of SARS-CoV-2 main protease in complex with RAY1216 | | Descriptor: | (3~{S},3~{a}~{S},6~{a}~{R})-2-[(2~{S})-2-cyclohexyl-2-[2,2,2-tris(fluoranyl)ethanoylamino]ethanoyl]-~{N}-[(2~{S},3~{R})-4-(cyclopentylamino)-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]-3,3~{a},4,5,6,6~{a}-hexahydro-1~{H}-cyclopenta[c]pyrrole-3-carboxamide, 3C-like proteinase nsp5 | | Authors: | Huang, X, Zhou, B, Xu, J, Yang, Z, Zhong, N, Xiong, X. | | Deposit date: | 2023-02-21 | | Release date: | 2023-04-05 | | Last modified: | 2025-04-02 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Preclinical evaluation of the SARS-CoV-2 M pro inhibitor RAY1216 shows improved pharmacokinetics compared with nirmatrelvir.
Nat Microbiol, 9, 2024
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8IGO
 | | Crystal structure of apo SARS-CoV-2 main protease | | Descriptor: | 3C-like proteinase nsp5 | | Authors: | Huang, X, Zhou, B, Xu, J, Yang, Z, Zhong, N, Xiong, X. | | Deposit date: | 2023-02-21 | | Release date: | 2023-04-05 | | Last modified: | 2024-04-17 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Preclinical evaluation of the SARS-CoV-2 M pro inhibitor RAY1216 shows improved pharmacokinetics compared with nirmatrelvir.
Nat Microbiol, 9, 2024
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8WIU
 | | Bromodomain and Extra-terminal Domain (BET) BRD4 | | Descriptor: | 7-[5-[1-(cyclopropylmethyl)-3,5-dimethyl-pyrazol-4-yl]pyridin-3-yl]-1~{H}-imidazo[4,5-b]pyridine, Isoform C of Bromodomain-containing protein 4 | | Authors: | Cao, D, Zhiyan, D, Xiong, B. | | Deposit date: | 2023-09-25 | | Release date: | 2024-01-03 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Discovery of a brain-permeable bromodomain and extra terminal domain (BET) inhibitor with selectivity for BD1 for the treatment of multiple sclerosis.
Eur.J.Med.Chem., 265, 2023
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4RXZ
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6KPT
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6KSE
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6KRI
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6KSA
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6KS9
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8Y5W
 | | human NaS1 intermediate state 2 | | Descriptor: | SODIUM ION, SULFATE ION, Solute carrier family 13 member 1 | | Authors: | Zhang, S.S. | | Deposit date: | 2024-02-01 | | Release date: | 2025-01-22 | | Method: | ELECTRON MICROSCOPY (2.73 Å) | | Cite: | Structural basis for the reaction cycle and transport mechanism of human Na + -sulfate cotransporter NaS1 (SLC13A1).
Sci Adv, 10, 2024
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8Y5Z
 | | human NaS1 inward state | | Descriptor: | SODIUM ION, SULFATE ION, Solute carrier family 13 member 1 | | Authors: | Zhang, S.S. | | Deposit date: | 2024-02-01 | | Release date: | 2025-01-22 | | Method: | ELECTRON MICROSCOPY (3.35 Å) | | Cite: | Structural basis for the reaction cycle and transport mechanism of human Na + -sulfate cotransporter NaS1 (SLC13A1).
Sci Adv, 10, 2024
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8Y5Y
 | | human NaS1 outward state | | Descriptor: | SULFATE ION, Solute carrier family 13 member 1 | | Authors: | Zhang, S.S. | | Deposit date: | 2024-02-01 | | Release date: | 2025-01-22 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Structural basis for the reaction cycle and transport mechanism of human Na + -sulfate cotransporter NaS1 (SLC13A1).
Sci Adv, 10, 2024
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8Y5X
 | | human NaS1 intermediate state 3 | | Descriptor: | SODIUM ION, SULFATE ION, Solute carrier family 13 member 1 | | Authors: | Zhang, S.S. | | Deposit date: | 2024-02-01 | | Release date: | 2025-01-22 | | Method: | ELECTRON MICROSCOPY (3.25 Å) | | Cite: | Structural basis for the reaction cycle and transport mechanism of human Na + -sulfate cotransporter NaS1 (SLC13A1).
Sci Adv, 10, 2024
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4DUM
 | | Co-crystal structure of eIF4E with inhibitor | | Descriptor: | (4-{7-[2-(4-chlorophenoxy)ethyl]-2-(methylamino)-6-oxo-6,7-dihydro-1H-purin-8-yl}phenyl)phosphonic acid, 1,2-ETHANEDIOL, Eukaryotic translation initiation factor 4E | | Authors: | Min, X, Johnstone, S, Walker, N, Wang, Z. | | Deposit date: | 2012-02-22 | | Release date: | 2012-04-11 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Structure-Guided Design, Synthesis, and Evaluation of Guanine-Derived Inhibitors of the eIF4E mRNA-Cap Interaction.
J.Med.Chem., 55, 2012
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4DT6
 | | Co-crystal structure of eIF4E with inhibitor | | Descriptor: | 1,2-ETHANEDIOL, 7-[2-(4-chlorophenoxy)ethyl]guanosine 5'-(dihydrogen phosphate), Eukaryotic translation initiation factor 4E, ... | | Authors: | Min, X, Johnstone, S, Walker, N, Wang, Z. | | Deposit date: | 2012-02-20 | | Release date: | 2012-04-11 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structure-Guided Design, Synthesis, and Evaluation of Guanine-Derived Inhibitors of the eIF4E mRNA-Cap Interaction.
J.Med.Chem., 55, 2012
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8JZS
 | | Outward-facing SLC15A4 dimer | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL, SLC15A4-TSLAA/EGPF tag protein | | Authors: | Zhang, S.S, Chen, X.D, Xie, M. | | Deposit date: | 2023-07-06 | | Release date: | 2023-09-27 | | Last modified: | 2025-05-28 | | Method: | ELECTRON MICROSCOPY (2.95 Å) | | Cite: | Structural basis for recruitment of TASL by SLC15A4 in human endolysosomal TLR signaling.
Nat Commun, 14, 2023
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8JZU
 | | SLC15A4_TASL complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, SLC15A4-TSLAA/EGPF tag protein, TLR adapter-Green fluorescent protein | | Authors: | Zhang, S.S, Chen, X.D, Xie, M. | | Deposit date: | 2023-07-06 | | Release date: | 2023-09-27 | | Last modified: | 2025-05-28 | | Method: | ELECTRON MICROSCOPY (3.05 Å) | | Cite: | Structural basis for recruitment of TASL by SLC15A4 in human endolysosomal TLR signaling.
Nat Commun, 14, 2023
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8JZR
 | | Outward_facing SLC15A4 monomer | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, SLC15A4-ALFA tag-SLC15A4-twin-strep tag fusion protein | | Authors: | Zhang, S.S, Chen, X.D, Xie, M. | | Deposit date: | 2023-07-06 | | Release date: | 2023-09-27 | | Last modified: | 2025-05-28 | | Method: | ELECTRON MICROSCOPY (3.25 Å) | | Cite: | Structural basis for recruitment of TASL by SLC15A4 in human endolysosomal TLR signaling.
Nat Commun, 14, 2023
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6J67
 | | Crystal structure of the compound 34 in a complex with TRF2 | | Descriptor: | 3FB-PHE-B8R-LEU-5XU-PRO, Telomeric repeat-binding factor 2 | | Authors: | Chen, Y, Yang, Y, Lei, M. | | Deposit date: | 2019-01-14 | | Release date: | 2019-02-13 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Cyclic Peptidic Mimetics of Apollo Peptides Targeting Telomeric Repeat Binding Factor 2 (TRF2) and Apollo Interaction.
ACS Med Chem Lett, 9, 2018
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8XLO
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8XLQ
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8WNG
 | | Crystal structure of H. pylori isoleucyl-tRNA synthetase (HpIleRS) in complex with Ile | | Descriptor: | ACETATE ION, GLYCEROL, ISOLEUCINE, ... | | Authors: | Guo, Y, Li, S, Zhang, T. | | Deposit date: | 2023-10-05 | | Release date: | 2024-02-14 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Structural basis for substrate and antibiotic recognition by Helicobacter pylori isoleucyl-tRNA synthetase.
Febs Lett., 598, 2024
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