7Y0B
 
 | | Crystal structure of human short-chain acyl-CoA dehydrogenase | | Descriptor: | (2S,3R,4R,5S,6R)-2-[4-chloranyl-3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol, FLAVIN-ADENINE DINUCLEOTIDE, Short-chain specific acyl-CoA dehydrogenase, ... | | Authors: | Huang, Y, Xu, Y, Li, J. | | Deposit date: | 2022-06-04 | | Release date: | 2023-07-05 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.076 Å) | | Cite: | Crystal structure of human short-chain acyl-coA dehydrogenase
To Be Published
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8HPI
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7CWG
 | | Crystal structure of PDE8A catalytic domain in complex with 3a | | Descriptor: | 9-[(1~{S})-1-[4-[2,2-bis(fluoranyl)ethoxy]pyridin-2-yl]ethyl]-2-chloranyl-purin-6-amine, High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8A, MAGNESIUM ION, ... | | Authors: | Huang, Y, Wu, X.-N, Zhou, Q, Wu, Y, Luo, H.-B. | | Deposit date: | 2020-08-28 | | Release date: | 2021-09-01 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Rational Design of 2-Chloroadenine Derivatives as Highly Selective Phosphodiesterase 8A Inhibitors.
J.Med.Chem., 63, 2020
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7CWA
 | | Crystal structure of PDE8A catalytic domain in complex with clofarabine | | Descriptor: | 2-CHLORO-9-(2-DEOXY-2-FLUORO-B -D-ARABINOFURANOSYL)-9H-PURIN-6-AMINE, High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8A, MAGNESIUM ION, ... | | Authors: | Huang, Y, Wu, X.-N, Zhou, Q, Wu, Y, Luo, H.-B. | | Deposit date: | 2020-08-27 | | Release date: | 2021-09-01 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Rational Design of 2-Chloroadenine Derivatives as Highly Selective Phosphodiesterase 8A Inhibitors.
J.Med.Chem., 63, 2020
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7CWF
 | | Crystal structure of PDE8A catalytic domain in complex with 2c | | Descriptor: | 9-[[4-[2,2-bis(fluoranyl)ethoxy]pyridin-2-yl]methyl]-2-chloranyl-purin-6-amine, High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8A, MAGNESIUM ION, ... | | Authors: | Huang, Y, Wu, X.-N, Zhou, Q, Wu, Y, Luo, H.-B. | | Deposit date: | 2020-08-28 | | Release date: | 2021-09-01 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Rational Design of 2-Chloroadenine Derivatives as Highly Selective Phosphodiesterase 8A Inhibitors.
J.Med.Chem., 63, 2020
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6KBB
 | | Role of the DEF/Y motif of Swc5 in histone H2A.Z deposition | | Descriptor: | Histone H2A type 1-D, Histone H2B type 2-E, SWR1-complex protein 5 | | Authors: | Huang, Y, Zhou, Z. | | Deposit date: | 2019-06-24 | | Release date: | 2020-01-29 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.365 Å) | | Cite: | Role of a DEF/Y motif in histone H2A-H2B recognition and nucleosome editing.
Proc.Natl.Acad.Sci.USA, 117, 2020
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5WQA
 | | Crystal structure of PDE4D catalytic domain complexed with Selaginpulvilins K | | Descriptor: | 1-[2-(4-hydroxyphenyl)ethynyl]-9,9-bis(4-methoxyphenyl)-7-oxidanyl-fluorene-2-carbaldehyde, MAGNESIUM ION, ZINC ION, ... | | Authors: | Huang, Y, Zhang, T, Zheng, X, Yin, S, Luo, H.B. | | Deposit date: | 2016-11-24 | | Release date: | 2017-02-22 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The discovery, complex crystal structure, and recognition mechanism of a novel natural PDE4 inhibitor from Selaginella pulvinata
Biochem. Pharmacol., 130, 2017
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7VRF
 | | Crystal structure of Oxpecker chromodomain in complex with H3K9me3 | | Descriptor: | H3K9me3, Oxpecker | | Authors: | Huang, Y, Jin, Z, Yu, B. | | Deposit date: | 2021-10-22 | | Release date: | 2022-10-26 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural insights into the chromodomain of Oxpecker in complex with histone H3 lysine 9 trimethylation reveal a transposon silencing mechanism by heterodimerization.
Biochem.Biophys.Res.Commun., 652, 2023
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7UGD
 | | Asp-bound GltPh RSMR mutant in IFS-A1 state | | Descriptor: | ASPARTIC ACID, Glutamate transporter homolog, SODIUM ION | | Authors: | Huang, Y, Boudker, O. | | Deposit date: | 2022-03-24 | | Release date: | 2023-03-29 | | Last modified: | 2023-05-10 | | Method: | ELECTRON MICROSCOPY (2.95 Å) | | Cite: | Environmentally Ultrasensitive Fluorine Probe to Resolve Protein Conformational Ensembles by 19F NMR and Cryo-EM
J.Am.Chem.Soc., 145, 2023
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2MT8
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7UG0
 | | TBOA-bound GltPh RSMR mutant in IFS state | | Descriptor: | (3S)-3-(BENZYLOXY)-L-ASPARTIC ACID, Glutamate transporter homolog, SODIUM ION | | Authors: | Huang, Y, Boudker, O. | | Deposit date: | 2022-03-23 | | Release date: | 2023-03-29 | | Last modified: | 2023-05-10 | | Method: | ELECTRON MICROSCOPY (2.55 Å) | | Cite: | Environmentally Ultrasensitive Fluorine Probe to Resolve Protein Conformational Ensembles by 19F NMR and Cryo-EM
J.Am.Chem.Soc., 145, 2023
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7UGX
 | | Asp-bound GltPh RSMR mutant in IFS-B1 state | | Descriptor: | ASPARTIC ACID, Glutamate transporter homolog, SODIUM ION | | Authors: | Huang, Y, Boudker, O. | | Deposit date: | 2022-03-25 | | Release date: | 2023-03-29 | | Last modified: | 2023-05-10 | | Method: | ELECTRON MICROSCOPY (2.96 Å) | | Cite: | Environmentally Ultrasensitive Fluorine Probe to Resolve Protein Conformational Ensembles by 19 F NMR and Cryo-EM.
J.Am.Chem.Soc., 145, 2023
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7UH6
 | | Asp-bound GltPh RSMR mutant in IFS-B2 state | | Descriptor: | ASPARTIC ACID, Glutamate transporter homolog, SODIUM ION | | Authors: | Huang, Y, Boudker, O. | | Deposit date: | 2022-03-25 | | Release date: | 2023-03-29 | | Last modified: | 2023-05-10 | | Method: | ELECTRON MICROSCOPY (3.44 Å) | | Cite: | Environmentally Ultrasensitive Fluorine Probe to Resolve Protein Conformational Ensembles by 19F NMR and Cryo-EM
J.Am.Chem.Soc., 145, 2023
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7UGJ
 | | TBOA-bound GltPh RSMR mutant in OFS state | | Descriptor: | (3S)-3-(BENZYLOXY)-L-ASPARTIC ACID, Glutamate transporter homolog, SODIUM ION | | Authors: | Huang, Y, Boudker, O. | | Deposit date: | 2022-03-24 | | Release date: | 2023-03-29 | | Last modified: | 2023-05-10 | | Method: | ELECTRON MICROSCOPY (2.81 Å) | | Cite: | Environmentally Ultrasensitive Fluorine Probe to Resolve Protein Conformational Ensembles by 19F NMR and Cryo-EM
J.Am.Chem.Soc., 145, 2023
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7UGV
 | | Asp-bound GltPh RSMR mutant in IFS-A2 state | | Descriptor: | ASPARTIC ACID, Glutamate transporter homolog, SODIUM ION | | Authors: | Huang, Y, Boudker, O. | | Deposit date: | 2022-03-25 | | Release date: | 2023-03-29 | | Last modified: | 2023-05-10 | | Method: | ELECTRON MICROSCOPY (2.94 Å) | | Cite: | Environmentally Ultrasensitive Fluorine Probe to Resolve Protein Conformational Ensembles by 19 F NMR and Cryo-EM.
J.Am.Chem.Soc., 145, 2023
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7UH3
 | | Asp-bound GltPh RSMR mutant in iOFS state | | Descriptor: | ASPARTIC ACID, Glutamate transporter homolog, SODIUM ION | | Authors: | Huang, Y, Boudker, O. | | Deposit date: | 2022-03-25 | | Release date: | 2023-03-29 | | Last modified: | 2023-05-10 | | Method: | ELECTRON MICROSCOPY (2.99 Å) | | Cite: | Environmentally Ultrasensitive Fluorine Probe to Resolve Protein Conformational Ensembles by 19F NMR and Cryo-EM
J.Am.Chem.Soc., 145, 2023
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7C9Q
 | | Crystal structure of Human liver fructose-1,6-bisphoaphatase complex with Mg2+ and AMP | | Descriptor: | ADENOSINE MONOPHOSPHATE, Fructose-1,6-bisphosphatase 1, MAGNESIUM ION | | Authors: | Huang, Y, Li, R, Wan, J. | | Deposit date: | 2020-06-07 | | Release date: | 2021-06-09 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.878 Å) | | Cite: | Crystal structure of Human liver fructose-1,6-bisphoaphatase complex with Mg2+ and AMP
To Be Published
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5H7E
 | | Crystal Structure of native drCPDase | | Descriptor: | GLYCEROL, RNA 2',3'-cyclic phosphodiesterase, SULFATE ION | | Authors: | Han, W, Hua, Y, Zhao, Y. | | Deposit date: | 2016-11-18 | | Release date: | 2017-09-27 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal structure of the RNA 2',3'-cyclic phosphodiesterase from Deinococcus radiodurans
Acta Crystallogr F Struct Biol Commun, 73, 2017
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4DL7
 | | Human DNA polymerase eta fails to extend primer 2 nucleotide after cisplatin crosslink (Pt-GG4). | | Descriptor: | 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]adenosine, Cisplatin, DNA (5'-D(*TP*AP*CP*TP*CP*GP*GP*TP*CP*AP*CP*T)-3'), ... | | Authors: | Zhao, Y, Biertumpfel, C, Gregory, M, Hua, Y, Hanaoka, F, Yang, W. | | Deposit date: | 2012-02-05 | | Release date: | 2012-05-09 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Structural Basis for Chemoresistance to Cisplatin Mediated by DNA Polymerase eta
Proc.Natl.Acad.Sci.USA, 109, 2012
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4DL2
 | | Human DNA polymerase eta inserting dCMPNPP opposite CG template (GG0a) | | Descriptor: | 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]cytidine, DNA (5'-D(*AP*CP*GP*GP*CP*TP*CP*AP*CP*AP*CP*T)-3'), DNA (5'-D(*TP*AP*GP*TP*GP*TP*GP*AP*G)-3'), ... | | Authors: | Zhao, Y, Biertumpfel, C, Gregory, M, Hua, Y, Hanaoka, F, Yang, W. | | Deposit date: | 2012-02-05 | | Release date: | 2012-05-09 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Structural Basis for Chemoresistance to Cisplatin Mediated by DNA Polymerase eta
Proc.Natl.Acad.Sci.USA, 109, 2012
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4DL6
 | | Human DNA polymerase eta extending primer immediately after cisplatin crosslink (Pt-GG3). | | Descriptor: | 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]guanosine, Cisplatin, DNA (5'-D(*TP*AP*GP*TP*GP*TP*GP*CP*C)-3'), ... | | Authors: | Zhao, Y, Biertumpfel, C, Gregory, M, Hua, Y, Hanaoka, F, Yang, W. | | Deposit date: | 2012-02-05 | | Release date: | 2012-05-09 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural Basis for Chemoresistance to Cisplatin Mediated by DNA Polymerase eta
Proc.Natl.Acad.Sci.USA, 109, 2012
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4DL3
 | | Human DNA polymerase eta inserting dCMPNPP opposite GG template (GG0b). | | Descriptor: | 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]cytidine, DNA (5'-D(*TP*AP*CP*GP*GP*TP*CP*AP*CP*AP*CP*T)-3'), DNA (5'-D(*TP*AP*GP*TP*GP*TP*GP*AP*C)-3'), ... | | Authors: | Zhao, Y, Biertumpfel, C, Gregory, M, Hua, Y, Hanaoka, F, Yang, W. | | Deposit date: | 2012-02-05 | | Release date: | 2012-05-09 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural Basis for Chemoresistance to Cisplatin Mediated by DNA Polymerase eta
Proc.Natl.Acad.Sci.USA, 109, 2012
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4DL5
 | | Human DNA polymerase eta inserting dCMPNPP opposite the 5'G of cisplatin crosslinked Gs (Pt-GG2). | | Descriptor: | 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]cytidine, Cisplatin, DNA (5'-D(*TP*AP*CP*GP*GP*TP*CP*AP*CP*AP*CP*T)-3'), ... | | Authors: | Zhao, Y, Biertumpfel, C, Gregory, M, Hanaoka, F, Hua, Y, Yang, W. | | Deposit date: | 2012-02-05 | | Release date: | 2012-05-09 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.92 Å) | | Cite: | Structural Basis for Chemoresistance to Cisplatin Mediated by DNA Polymerase eta
Proc.Natl.Acad.Sci.USA, 109, 2012
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6MO1
 | | Structure of dengue virus protease with an allosteric Inhibitor that blocks replication | | Descriptor: | 5-[4-(aminomethyl)phenyl]-6-[4-(furan-3-yl)phenyl]-N-[(piperidin-4-yl)methyl]pyrazin-2-amine, FLAVIVIRUS_NS2B/Peptidase S7 | | Authors: | Lin, Y.-L, Hua, Y, Nie, S, Wu, J, Wu, F, Huo, T, Yao, Y, Song, Y. | | Deposit date: | 2018-10-03 | | Release date: | 2019-05-15 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Discovery, X-ray Crystallography and Antiviral Activity of Allosteric Inhibitors of Flavivirus NS2B-NS3 Protease.
J.Am.Chem.Soc., 141, 2019
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6MO0
 | | Structure of dengue virus protease with an allosteric Inhibitor that blocks replication | | Descriptor: | 1-(4-{3-[4-(furan-3-yl)phenyl]-5-[(piperidin-4-yl)methoxy]pyrazin-2-yl}phenyl)methanamine, FLAVIVIRUS_NS2B/Peptidase S7 | | Authors: | Lin, Y.-L, Nie, S, Hua, Y, Wu, J, Wu, F, Huo, T, Yao, Y, Song, Y. | | Deposit date: | 2018-10-03 | | Release date: | 2019-05-22 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Discovery, X-ray Crystallography and Antiviral Activity of Allosteric Inhibitors of Flavivirus NS2B-NS3 Protease.
J. Am. Chem. Soc., 141, 2019
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