3SHY
 
 | | Crystal structure of the PDE5A1 catalytic domain in complex with novel inhibitors | | Descriptor: | 6-ethyl-5-fluoro-2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}pyrimidin-4(3H)-one, MAGNESIUM ION, ZINC ION, ... | | Authors: | Chen, T.T, Chen, T, Xu, Y.C. | | Deposit date: | 2011-06-17 | | Release date: | 2011-08-24 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.647 Å) | | Cite: | Utilization of Halogen Bond in Lead Optimization: A Case Study of Rational Design of Potent Phosphodiesterase Type 5 (PDE5) Inhibitors.
J.Med.Chem., 54, 2011
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3SIE
 | | Crystal structure of the PDE5A1 catalytic domain in complex with novel inhibitors | | Descriptor: | 5-bromo-6-ethyl-2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}pyrimidin-4(3H)-one, cGMP-specific 3',5'-cyclic phosphodiesterase | | Authors: | Chen, T.T, Chen, T, Xu, Y.C. | | Deposit date: | 2011-06-17 | | Release date: | 2011-08-24 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Utilization of Halogen Bond in Lead Optimization: A Case Study of Rational Design of Potent Phosphodiesterase Type 5 (PDE5) Inhibitors.
J.Med.Chem., 54, 2011
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3SHZ
 | | Crystal structure of the PDE5A1 catalytic domain in complex with novel inhibitors | | Descriptor: | 5-chloro-6-ethyl-2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}pyrimidin-4(3H)-one, MAGNESIUM ION, ZINC ION, ... | | Authors: | Chen, T.T, Chen, T, Xu, Y.C. | | Deposit date: | 2011-06-17 | | Release date: | 2011-08-24 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.449 Å) | | Cite: | Utilization of Halogen Bond in Lead Optimization: A Case Study of Rational Design of Potent Phosphodiesterase Type 5 (PDE5) Inhibitors.
J.Med.Chem., 54, 2011
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7KHH
 | | Ternary complex of VHL/BRD4-BD1/Compound9 (4-(3,5-difluoropyridin-2-yl)-N-(11-(((S)-1-((2S,4R)-4-hydroxy-2-((4-(4-methylthiazol-5-yl)benzyl)carbamoyl)pyrrolidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl)amino)-11-oxoundecyl)-10-methyl-7-((methylsulfonyl)methyl)-11-oxo-3,4,10,11-tetrahydro-1H-1,4,10-triazadibenzo[cd,f]azulene-6-carboxamide) | | Descriptor: | Bromodomain-containing protein 4, Elongin-B, Elongin-C, ... | | Authors: | Murray, J.M. | | Deposit date: | 2020-10-21 | | Release date: | 2021-02-24 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.281 Å) | | Cite: | Antibody-Mediated Delivery of Chimeric BRD4 Degraders. Part 2: Improvement of In Vitro Antiproliferation Activity and In Vivo Antitumor Efficacy.
J.Med.Chem., 64, 2021
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8ZSS
 | | Cryo-EM structure of the RO5263397-bound hTAAR1-Gs complex | | Descriptor: | (4~{S})-4-(3-fluoranyl-2-methyl-phenyl)-1,3-oxazolidin-2-amine, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | | Authors: | Jiang, K.X, Zheng, Y, Xu, F. | | Deposit date: | 2024-06-05 | | Release date: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (3.07 Å) | | Cite: | The versatile binding landscape of the TAAR1 pocket for LSD and other antipsychotic drug molecules.
Cell Rep, 43, 2024
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8ZSJ
 | | Cryo-EM structure of the apo hTAAR1-Gs complex | | Descriptor: | CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | | Authors: | Jiang, K.X, Zheng, Y, Xu, F. | | Deposit date: | 2024-06-05 | | Release date: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | The versatile binding landscape of the TAAR1 pocket for LSD and other antipsychotic drug molecules.
Cell Rep, 43, 2024
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8ZSV
 | | Cryo-EM structure of the RO5263397-bound mTAAR1-Gs complex | | Descriptor: | (4~{S})-4-(3-fluoranyl-2-methyl-phenyl)-1,3-oxazolidin-2-amine, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | | Authors: | Jiang, K.X, Zheng, Y, Xu, F. | | Deposit date: | 2024-06-05 | | Release date: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (2.96 Å) | | Cite: | The versatile binding landscape of the TAAR1 pocket for LSD and other antipsychotic drug molecules.
Cell Rep, 43, 2024
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8ZSP
 | | Cryo-EM structure of the LSD-bound hTAAR1-Gs complex | | Descriptor: | (8alpha)-N,N-diethyl-6-methyl-9,10-didehydroergoline-8-carboxamide, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | | Authors: | Jiang, K.X, Zheng, Y, Xu, F. | | Deposit date: | 2024-06-05 | | Release date: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (3.14 Å) | | Cite: | The versatile binding landscape of the TAAR1 pocket for LSD and other antipsychotic drug molecules.
Cell Rep, 43, 2024
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8GVK
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6BPP
 | | E. coli MsbA in complex with LPS and inhibitor G092 | | Descriptor: | (2E)-3-{6-[(1S)-1-(3-amino-2,6-dichlorophenyl)ethoxy]-4-cyclopropylquinolin-3-yl}prop-2-enoic acid, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 3-HYDROXY-TETRADECANOIC ACID, ... | | Authors: | Ho, H, Koth, C.M, Payandeh, J. | | Deposit date: | 2017-11-24 | | Release date: | 2018-05-02 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.92 Å) | | Cite: | Structural basis for dual-mode inhibition of the ABC transporter MsbA.
Nature, 557, 2018
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6BPL
 | | E. coli MsbA in complex with LPS and inhibitor G907 | | Descriptor: | (2E)-3-{6-[(1S)-1-(2-chloro-6-cyclopropylphenyl)ethoxy]-4-cyclopropylquinolin-3-yl}prop-2-enoic acid, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, 2-amino-2-deoxy-alpha-D-glucopyranose, ... | | Authors: | Ho, H, Koth, C.M, Payandeh, J. | | Deposit date: | 2017-11-23 | | Release date: | 2018-05-02 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.908 Å) | | Cite: | Structural basis for dual-mode inhibition of the ABC transporter MsbA.
Nature, 557, 2018
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1NS1
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4NX2
 | | Crystal structure of DCYRS complexed with DCY | | Descriptor: | 3,5-dichloro-L-tyrosine, Tyrosine--tRNA ligase | | Authors: | Wang, J, Gong, W, Li, J, Gao, F, Li, H. | | Deposit date: | 2013-12-08 | | Release date: | 2014-09-24 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Significant expansion of fluorescent protein sensing ability through the genetic incorporation of superior photo-induced electron-transfer quenchers.
J.Am.Chem.Soc., 136, 2014
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4NXE
 | | Crystal structure of iLOV-I486(2LT) at pH 6.5 | | Descriptor: | FLAVIN MONONUCLEOTIDE, Phototropin-2 | | Authors: | Wang, J, Liu, X, Li, J. | | Deposit date: | 2013-12-09 | | Release date: | 2014-09-24 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.103 Å) | | Cite: | Significant expansion of fluorescent protein sensing ability through the genetic incorporation of superior photo-induced electron-transfer quenchers.
J.Am.Chem.Soc., 136, 2014
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4NXF
 | | Crystal structure of iLOV-I486(2LT) at pH 8.0 | | Descriptor: | FLAVIN MONONUCLEOTIDE, Phototropin-2 | | Authors: | Wang, J, Liu, X, Li, J. | | Deposit date: | 2013-12-09 | | Release date: | 2014-09-24 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.766 Å) | | Cite: | Significant expansion of fluorescent protein sensing ability through the genetic incorporation of superior photo-induced electron-transfer quenchers.
J.Am.Chem.Soc., 136, 2014
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4O1I
 | | Crystal Structure of the regulatory domain of MtbGlnR | | Descriptor: | Transcriptional regulatory protein | | Authors: | Lin, W, Wang, C, Zhang, P. | | Deposit date: | 2013-12-16 | | Release date: | 2014-04-23 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Atypical OmpR/PhoB Subfamily Response Regulator GlnR of Actinomycetes Functions as a Homodimer, Stabilized by the Unphosphorylated Conserved Asp-focused Charge Interactions
J.Biol.Chem., 289, 2014
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4O1H
 | | Crystal Structure of the regulatory domain of AmeGlnR | | Descriptor: | Transcription regulator GlnR | | Authors: | Lin, W, Wang, C, Zhang, P. | | Deposit date: | 2013-12-16 | | Release date: | 2014-04-23 | | Last modified: | 2017-11-22 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Atypical OmpR/PhoB Subfamily Response Regulator GlnR of Actinomycetes Functions as a Homodimer, Stabilized by the Unphosphorylated Conserved Asp-focused Charge Interactions
J.Biol.Chem., 289, 2014
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4NXG
 | | Crystal structure of iLOV-I486z(2LT) at pH 9.0 | | Descriptor: | FLAVIN MONONUCLEOTIDE, Phototropin-2 | | Authors: | Wang, J, Liu, X, Li, J. | | Deposit date: | 2013-12-09 | | Release date: | 2014-09-24 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Significant expansion of fluorescent protein sensing ability through the genetic incorporation of superior photo-induced electron-transfer quenchers.
J.Am.Chem.Soc., 136, 2014
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4NXB
 | | Crystal structure of iLOV-I486(2LT) at pH 7.0 | | Descriptor: | FLAVIN MONONUCLEOTIDE, Phototropin-2 | | Authors: | Wang, J, Li, J, Liu, X. | | Deposit date: | 2013-12-09 | | Release date: | 2014-09-24 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.561 Å) | | Cite: | Significant expansion of fluorescent protein sensing ability through the genetic incorporation of superior photo-induced electron-transfer quenchers.
J.Am.Chem.Soc., 136, 2014
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3IN0
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3IN2
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3JT2
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3JTB
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2H06
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2H07
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