7T08
 
 | | Cryptococcus neoformans protein farnesyltransferase in complex with FPP and inhibitor 2q | | Descriptor: | (2R)-3-(cyclohexylamino)-2-hydroxypropane-1-sulfonic acid, 1,2-ETHANEDIOL, 4-{[5-({(2S)-2-butyl-5-oxo-4-[3-(trifluoromethoxy)phenyl]piperazin-1-yl}methyl)-1H-imidazol-1-yl]methyl}-2-fluorobenzonitrile, ... | | Authors: | Wang, Y, Shi, Y, Beese, L.S. | | Deposit date: | 2021-11-29 | | Release date: | 2022-11-09 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.803 Å) | | Cite: | Structure-Guided Discovery of Potent Antifungals that Prevent Ras Signaling by Inhibiting Protein Farnesyltransferase.
J.Med.Chem., 65, 2022
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7T0A
 | | Cryptococcus neoformans protein farnesyltransferase co-crystallized with FPP and inhibitor 2f | | Descriptor: | (2R)-3-(cyclohexylamino)-2-hydroxypropane-1-sulfonic acid, (5S)-4-({1-[(4-bromophenyl)methyl]-1H-imidazol-5-yl}methyl)-5-butyl-1-[3-(trifluoromethoxy)phenyl]piperazin-2-one, 1,2-ETHANEDIOL, ... | | Authors: | Wang, Y, Shi, Y, Beese, L.S. | | Deposit date: | 2021-11-29 | | Release date: | 2022-11-09 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.099 Å) | | Cite: | Structure-Guided Discovery of Potent Antifungals that Prevent Ras Signaling by Inhibiting Protein Farnesyltransferase.
J.Med.Chem., 65, 2022
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7T0D
 | | Cryptococcus neoformans protein farnesyltransferase in complex with FPP and inhibitor 2k | | Descriptor: | (2R)-3-(cyclohexylamino)-2-hydroxypropane-1-sulfonic acid, (5S)-4-({1-[(4-bromophenyl)methyl]-1H-imidazol-5-yl}methyl)-5-propyl-1-[3-(trifluoromethoxy)phenyl]piperazin-2-one, 1,2-ETHANEDIOL, ... | | Authors: | Wang, Y, Shi, Y, Beese, L.S. | | Deposit date: | 2021-11-29 | | Release date: | 2022-11-09 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.906 Å) | | Cite: | Structure-Guided Discovery of Potent Antifungals that Prevent Ras Signaling by Inhibiting Protein Farnesyltransferase.
J.Med.Chem., 65, 2022
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7T0E
 | | Cryptococcus neoformans protein farnesyltransferase in complex with FPP and inhibitor 2b | | Descriptor: | (2R)-3-(cyclohexylamino)-2-hydroxypropane-1-sulfonic acid, (5S)-4-({1-[(4-bromophenyl)methyl]-1H-imidazol-5-yl}methyl)-5-butyl-1-(3-chlorophenyl)piperazin-2-one, 1,2-ETHANEDIOL, ... | | Authors: | Wang, Y, Shi, Y, Beese, L.S. | | Deposit date: | 2021-11-29 | | Release date: | 2022-11-09 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.223 Å) | | Cite: | Structure-Guided Discovery of Potent Antifungals that Prevent Ras Signaling by Inhibiting Protein Farnesyltransferase.
J.Med.Chem., 65, 2022
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7T0B
 | | Cryptococcus neoformans protein farnesyltransferase in complex with FPP and inhibitor 2g | | Descriptor: | (2R)-3-(cyclohexylamino)-2-hydroxypropane-1-sulfonic acid, (5S)-5-butyl-4-({1-[(4-fluorophenyl)methyl]-1H-imidazol-5-yl}methyl)-1-[3-(trifluoromethoxy)phenyl]piperazin-2-one, 1,2-ETHANEDIOL, ... | | Authors: | Wang, Y, Shi, Y, Beese, L.S. | | Deposit date: | 2021-11-29 | | Release date: | 2022-11-09 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.026 Å) | | Cite: | Structure-Guided Discovery of Potent Antifungals that Prevent Ras Signaling by Inhibiting Protein Farnesyltransferase.
J.Med.Chem., 65, 2022
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7T0C
 | | Cryptococcus neoformans protein farnesyltransferase in complex with FPP and inhibitor 2e | | Descriptor: | (2R)-3-(cyclohexylamino)-2-hydroxypropane-1-sulfonic acid, (5S)-5-butyl-4-({1-[(4-chlorophenyl)methyl]-1H-imidazol-5-yl}methyl)-1-[3-(trifluoromethoxy)phenyl]piperazin-2-one, 1,2-ETHANEDIOL, ... | | Authors: | Wang, Y, Shi, Y, Beese, L.S. | | Deposit date: | 2021-11-29 | | Release date: | 2022-11-09 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.903 Å) | | Cite: | Structure-Guided Discovery of Potent Antifungals that Prevent Ras Signaling by Inhibiting Protein Farnesyltransferase.
J.Med.Chem., 65, 2022
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7T09
 | | Cryptococcus neoformans protein farnesyltransferase in complex with FPP and inhibitor 2d | | Descriptor: | (2R)-3-(cyclohexylamino)-2-hydroxypropane-1-sulfonic acid, 1,2-ETHANEDIOL, 4-{[5-({(2S)-2-butyl-5-oxo-4-[3-(trifluoromethoxy)phenyl]piperazin-1-yl}methyl)-1H-imidazol-1-yl]methyl}benzonitrile, ... | | Authors: | Wang, Y, Shi, Y, Beese, L.S. | | Deposit date: | 2021-11-29 | | Release date: | 2022-11-09 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.984 Å) | | Cite: | Structure-Guided Discovery of Potent Antifungals that Prevent Ras Signaling by Inhibiting Protein Farnesyltransferase.
J.Med.Chem., 65, 2022
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7TO5
 | | HIV-1 wild type protease with GRL-05816A, with C-4 substituted cyclohexane-fused bis-tetrahydrofuran (Chf-THF) derivatives as P2-ligand [diastereomer 1] | | Descriptor: | (1R,3aS,4S,6S,7aR)-octahydro-1,6-epoxy-2-benzofuran-4-yl [(2S,3R)-4-{[2-(cyclopropylamino)-1,3-benzothiazole-6-sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate, CHLORIDE ION, FORMIC ACID, ... | | Authors: | Wang, Y.-F, Agniswamy, J, Ghosh, A.K, Weber, I.T. | | Deposit date: | 2022-01-23 | | Release date: | 2022-03-02 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.13 Å) | | Cite: | Design, Synthesis and X-Ray Structural Studies of Potent HIV-1 Protease Inhibitors Containing C-4 Substituted Tricyclic Hexahydro-Furofuran Derivatives as P2 Ligands.
Chemmedchem, 17, 2022
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7TO6
 | | HIV-1 wild type protease with GRL-01717A, with C-4 substituted cyclohexane-fused bis-tetrahydrofuran (Chf-THF) derivatives as P2-ligand [diastereomer 2] | | Descriptor: | (1S,3aR,4R,6R,7aS)-octahydro-1,6-epoxy-2-benzofuran-4-yl [(2S,3R)-4-{[2-(cyclopropylamino)-1,3-benzothiazole-6-sulfonyl](2-methylpropyl)amino}-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]carbamate, ACETATE ION, CHLORIDE ION, ... | | Authors: | Wang, Y.-F, Agniswamy, J, Ghosh, A.K, Weber, I.T. | | Deposit date: | 2022-01-23 | | Release date: | 2022-03-02 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.21 Å) | | Cite: | Design, Synthesis and X-Ray Structural Studies of Potent HIV-1 Protease Inhibitors Containing C-4 Substituted Tricyclic Hexahydro-Furofuran Derivatives as P2 Ligands.
Chemmedchem, 17, 2022
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8HL1
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8HKX
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8HKU
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8HKV
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8HKY
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8HKZ
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8HL3
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4ZOL
 | | Crystal Structure of Tubulin-Stathmin-TTL-Tubulysin M Complex | | Descriptor: | (2R,4R)-4-{[(2-{(1R,3R)-1-(acetyloxy)-4-methyl-3-[methyl(N-{[(2S)-1-methylpiperidin-2-yl]carbonyl}-D-isoleucyl)amino]pentyl}-1,3-thiazol-4-yl)carbonyl]amino}-2-methyl-5-phenylpentanoic acid, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | | Authors: | Wang, Y, Zhang, R. | | Deposit date: | 2015-05-06 | | Release date: | 2016-07-27 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural Insights into the Pharmacophore of Vinca Domain Inhibitors of Microtubules
Mol.Pharmacol., 89, 2016
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4ZHQ
 | | Crystal structure of Tubulin-Stathmin-TTL-MMAE Complex | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GLYCEROL, ... | | Authors: | Wang, Y, Zhang, R. | | Deposit date: | 2015-04-26 | | Release date: | 2016-07-27 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Structural Insights into the Pharmacophore of Vinca Domain Inhibitors of Microtubules
Mol.Pharmacol., 89, 2016
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4ZI7
 | | CRYSTAL STRUCTURE OF TUBULIN-STATHMIN-TTL-HTI286 COMPLEX | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GLYCEROL, ... | | Authors: | Wang, Y, Zhang, R. | | Deposit date: | 2015-04-27 | | Release date: | 2016-07-27 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | Structural Insights into the Pharmacophore of Vinca Domain Inhibitors of Microtubules
Mol.Pharmacol., 89, 2016
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8HN9
 | | Human SIRT3 Recognizing CCNE2K348la peptide | | Descriptor: | CCNE2 peptide, IMIDAZOLE, NAD-dependent protein deacetylase sirtuin-3, ... | | Authors: | Wang, Y, Ding, W. | | Deposit date: | 2022-12-07 | | Release date: | 2023-05-10 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (3.7 Å) | | Cite: | SIRT3-dependent delactylation of cyclin E2 prevents hepatocellular carcinoma growth.
Embo Rep., 24, 2023
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8GAP
 | | Structure of LARP7 protein p65-telomerase RNA complex in telomerase | | Descriptor: | Telomerase La-related protein p65, Telomerase RNA, Telomerase associated protein p50, ... | | Authors: | Wang, Y, He, Y, Wang, Y, Yang, Y, Singh, M, Eichhorn, C.D, Zhou, Z.H, Feigon, J. | | Deposit date: | 2023-02-23 | | Release date: | 2023-06-28 | | Last modified: | 2023-07-19 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Structure of LARP7 Protein p65-telomerase RNA Complex in Telomerase Revealed by Cryo-EM and NMR.
J.Mol.Biol., 435, 2023
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8HBS
 | | Crystal of rAlfNmt | | Descriptor: | Glycylpeptide N-tetradecanoyltransferase | | Authors: | Wang, Y, Wang, S. | | Deposit date: | 2022-10-30 | | Release date: | 2023-03-08 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | N -Myristoyltransferase, a Potential Antifungal Candidate Drug-Target for Aspergillus flavus.
Microbiol Spectr, 11, 2023
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8GQE
 | | Crystal structure of the W285A mutant of UVR8 in complex with RUP2 | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Ultraviolet-B receptor UVR8, WD repeat-containing protein RUP2 | | Authors: | Wang, Y.D, Wang, L.X, Guan, Z.Y, chang, H.F, Yin, P. | | Deposit date: | 2022-08-30 | | Release date: | 2022-09-14 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | RUP2 facilitates UVR8 redimerization via two interfaces.
Plant Commun., 4, 2023
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8GRI
 | | Orf1-E312A-glycine-glycylthricin | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCINE, N-formimidoyl fortimicin A synthase, ... | | Authors: | Wang, Y.L, Li, T.L. | | Deposit date: | 2022-09-01 | | Release date: | 2023-05-31 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.365 Å) | | Cite: | N-Formimidoylation/-iminoacetylation modification in aminoglycosides requires FAD-dependent and ligand-protein NOS bridge dual chemistry.
Nat Commun, 14, 2023
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6LXW
 | | Cryo-EM structure of human secretory immunoglobulin A in complex with the N-terminal domain of SpsA | | Descriptor: | Immunoglobulin J chain, Interleukin-2,Immunoglobulin heavy constant alpha 1, Polymeric immunoglobulin receptor, ... | | Authors: | Wang, Y, Wang, G, Li, Y, Xiao, J. | | Deposit date: | 2020-02-12 | | Release date: | 2020-05-27 | | Last modified: | 2020-07-22 | | Method: | ELECTRON MICROSCOPY (3.27 Å) | | Cite: | Structural insights into secretory immunoglobulin A and its interaction with a pneumococcal adhesin.
Cell Res., 30, 2020
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