5G0Q
 
 | | beta-glucuronidase with an activity-based probe (N-alkyl cyclophellitol aziridine) bound | | Descriptor: | (1R,2S,3R,4S,5S,6R)-7-(8-AZIDOOCTYL)-3,4,5-TRIHYDROXY-, BETA-GLUCURONIDASE, GLYCEROL | | Authors: | Jin, Y, Wu, L, Jiang, J.B, Overkleeft, H.S, Davies, G.J. | | Deposit date: | 2016-03-22 | | Release date: | 2017-04-12 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Activity-based probes for functional interrogation of retaining beta-glucuronidases.
Nat. Chem. Biol., 13, 2017
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3RLO
 | | Structural Basis of Cytosolic DNA Recognition by Innate Receptors | | Descriptor: | 1,2-ETHANEDIOL, FORMIC ACID, Gamma-interferon-inducible protein 16 | | Authors: | Jin, T.C, Xiao, T. | | Deposit date: | 2011-04-19 | | Release date: | 2012-04-25 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structures of the HIN Domain:DNA Complexes Reveal Ligand Binding and Activation Mechanisms of the AIM2 Inflammasome and IFI16 Receptor.
Immunity, 36, 2012
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3RN5
 | | Structural basis of cytosolic DNA recognition by innate immune receptors | | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*CP*CP*AP*TP*CP*AP*AP*AP*GP*AP*GP*AP*GP*AP*AP*AP*GP*AP*G)-3'), DNA (5'-D(*GP*CP*TP*CP*TP*TP*TP*CP*TP*CP*TP*CP*TP*TP*TP*GP*AP*TP*G)-3'), ... | | Authors: | Jin, T.C, Xiao, T. | | Deposit date: | 2011-04-21 | | Release date: | 2012-04-25 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structures of the HIN Domain:DNA Complexes Reveal Ligand Binding and Activation Mechanisms of the AIM2 Inflammasome and IFI16 Receptor.
Immunity, 36, 2012
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3RNU
 | | Structural Basis of Cytosolic DNA Sensing by Innate Immune Receptors | | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*GP*CP*CP*AP*TP*CP*AP*AP*AP*GP*AP*GP*AP*GP*AP*G)-3'), DNA (5'-D(*TP*CP*TP*CP*TP*CP*TP*TP*TP*GP*AP*TP*GP*GP*CP*C)-3'), ... | | Authors: | Jin, T.C, Xiao, T. | | Deposit date: | 2011-04-22 | | Release date: | 2012-04-25 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.502 Å) | | Cite: | Structures of the HIN Domain:DNA Complexes Reveal Ligand Binding and Activation Mechanisms of the AIM2 Inflammasome and IFI16 Receptor.
Immunity, 36, 2012
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4OH4
 | | Crystal structure of BRI1 in complex with BKI1 | | Descriptor: | BRI1 kinase inhibitor 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Protein BRASSINOSTEROID INSENSITIVE 1 | | Authors: | Wang, J, Wang, J, Wu, J.W, Wang, Z.X. | | Deposit date: | 2014-01-17 | | Release date: | 2014-10-29 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Structural insights into the negative regulation of BRI1 signaling by BRI1-interacting protein BKI1.
Cell Res., 24, 2014
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6LAT
 | | The cryo-EM structure of HEV VLP | | Descriptor: | Protein ORF2 | | Authors: | Zheng, Q, He, M, Li, S. | | Deposit date: | 2019-11-13 | | Release date: | 2019-12-04 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Viral neutralization by antibody-imposed physical disruption.
Proc.Natl.Acad.Sci.USA, 2019
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6LB0
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4DOM
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4EO7
 | | Crystal structure of the TIR domain of human myeloid differentiation primary response protein 88. | | Descriptor: | MAGNESIUM ION, Myeloid differentiation primary response protein MyD88 | | Authors: | Snyder, G.A, Cirl, C, Jiang, J.S, Chen, P, Smith, T, Xiao, T.S. | | Deposit date: | 2012-04-13 | | Release date: | 2013-04-10 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.449 Å) | | Cite: | Molecular mechanisms for the subversion of MyD88 signaling by TcpC from virulent uropathogenic Escherichia coli.
Proc.Natl.Acad.Sci.USA, 110, 2013
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3QLH
 | | HIV-1 Reverse Transcriptase in Complex with Manicol at the RNase H Active Site and TMC278 (Rilpivirine) at the NNRTI Binding Pocket | | Descriptor: | (2S)-5,7-dihydroxy-9-methyl-2-(prop-1-en-2-yl)-1,2,3,4-tetrahydro-6H-benzo[7]annulen-6-one, 1,2-ETHANEDIOL, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, ... | | Authors: | Himmel, D.M, Wojtak, K, Bauman, J.D, Arnold, E. | | Deposit date: | 2011-02-02 | | Release date: | 2011-12-21 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Synthesis, activity, and structural analysis of novel alpha-hydroxytropolone inhibitors of human immunodeficiency virus reverse transcriptase-associated ribonuclease H.
J.Med.Chem., 54, 2011
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5H7N
 | | Crystal structure of human NLRP12-PYD with a MBP tag | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, NLRP12-PYD with MBP tag, ... | | Authors: | Jin, T.C, Xiao, T.S. | | Deposit date: | 2016-11-19 | | Release date: | 2017-02-15 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.849 Å) | | Cite: | Design of an expression system to enhance MBP-mediated crystallization
Sci Rep, 7, 2017
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5H7Q
 | | Crystal structure of human MNDA PYD domain with MBP tag | | Descriptor: | ACETATE ION, MNDA PYD domain with MBP tag, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | | Authors: | Jin, T.C, Xiao, T.S. | | Deposit date: | 2016-11-20 | | Release date: | 2017-02-15 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.451 Å) | | Cite: | Design of an expression system to enhance MBP-mediated crystallization
Sci Rep, 7, 2017
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3RAU
 | | Crystal structure of the HD-PTP Bro1 domain | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, GLYCEROL, ... | | Authors: | Mu, R.L, Jiang, J.S, Snyder, G, Smith, P, Xiao, T. | | Deposit date: | 2011-03-28 | | Release date: | 2011-09-14 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | The Phe105 Loop of Alix Bro1 Domain Plays a Key Role in HIV-1 Release.
Structure, 19, 2011
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3R9M
 | | Crystal structure of the Brox Bro1 domain | | Descriptor: | 1,2-ETHANEDIOL, BRO1 domain-containing protein BROX, FORMIC ACID | | Authors: | Mu, R.L, Jiang, J.S, Snyder, G, Smith, P, Xiao, T. | | Deposit date: | 2011-03-25 | | Release date: | 2011-09-14 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | The Phe105 Loop of Alix Bro1 Domain Plays a Key Role in HIV-1 Release.
Structure, 19, 2011
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3UM2
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3ULY
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3UM3
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7F3U
 | | Cryo-EM structure of human TMEM120A in the CoASH-free state | | Descriptor: | Transmembrane protein 120A | | Authors: | Rong, Y, Gao, Y.W, Song, D.F, Zhao, Y, Liu, Z.F. | | Deposit date: | 2021-06-17 | | Release date: | 2021-06-30 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | TMEM120A contains a specific coenzyme A-binding site and might not mediate poking- or stretch-induced channel activities in cells.
Elife, 10, 2021
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7F3T
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8X5D
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7F3B
 | | cocrystallization of Escherichia coli dihydrofolate reductase (DHFR) and its pyrrolo[3,2-f]quinazoline inhibitor. | | Descriptor: | 7-[(2-fluorophenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine, Dihydrofolate reductase, GLYCEROL | | Authors: | Wang, H, You, X.F, Yang, X.Y, Li, Y, Hong, W. | | Deposit date: | 2021-06-16 | | Release date: | 2022-04-27 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.81 Å) | | Cite: | The discovery of 1, 3-diamino-7H-pyrrol[3, 2-f]quinazoline compounds as potent antimicrobial antifolates.
Eur.J.Med.Chem., 228, 2022
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5WCU
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5JAW
 | | Structure of a beta galactosidase with inhibitor | | Descriptor: | (1S,2S,3S,4S,5R,6R)-5-amino-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol, ACETATE ION, Beta-galactosidase, ... | | Authors: | Offen, W, Davies, G. | | Deposit date: | 2016-04-12 | | Release date: | 2017-05-10 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Towards broad spectrum activity-based glycosidase probes: synthesis and evaluation of deoxygenated cyclophellitol aziridines.
Chem. Commun. (Camb.), 53, 2017
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4DK5
 | | Crystal structure of human PI3K-gamma in complex with a pyridyl-triazine inhibitor | | Descriptor: | 4-(2-[(6-methoxypyridin-3-yl)amino]-5-{[4-(methylsulfonyl)piperazin-1-yl]methyl}pyridin-3-yl)-6-methyl-1,3,5-triazin-2-amine, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION | | Authors: | Whittington, D.A, Tang, J, Yakowec, P. | | Deposit date: | 2012-02-03 | | Release date: | 2012-05-16 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Structure-based design of a novel series of potent, selective inhibitors of the class I phosphatidylinositol 3-kinases.
J.Med.Chem., 55, 2012
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3QJZ
 | | Crystal structure of PI3K-gamma in complex with benzothiazole 1 | | Descriptor: | N-{6-[2-(methylsulfanyl)pyrimidin-4-yl]-1,3-benzothiazol-2-yl}acetamide, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION | | Authors: | Whittington, D.A, Tang, J, Yakowec, P. | | Deposit date: | 2011-01-31 | | Release date: | 2011-03-30 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Discovery and Optimization of a Series of Benzothiazole Phosphoinositide 3-Kinase (PI3K)/Mammalian Target of Rapamycin (mTOR) Dual Inhibitors.
J.Med.Chem., 54, 2011
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