1BPS
 
 | | MINOR CONFORMER OF A BENZO[A]PYRENE DIOL EPOXIDE ADDUCT OF DA IN DUPLEX DNA | | Descriptor: | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE, DNA (5'-D(*CP*TP*CP*GP*GP*GP*AP*CP*C)-3'), DNA (5'-D(*GP*GP*TP*CP*(BAP)AP*CP*GP*AP*G)-3') | | Authors: | Schwartz, J.S, Rice, J.S, Luxon, B.A, Sayer, J.M, Xie, G, Yeh, H.J.C, Liu, X, Jerina, D.M, Gorenstein, D.G. | | Deposit date: | 1998-08-06 | | Release date: | 1998-08-19 | | Last modified: | 2023-12-27 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the minor conformer of a DNA duplex containing a dG mismatch opposite a benzo[a]pyrene diol epoxide/dA adduct: glycosidic rotation from syn to anti at the modified deoxyadenosine.
Biochemistry, 36, 1997
|
|
8ACL
 | | Crystal structure of SARS-CoV-2 main protease (MPro) in complex with the non-covalent inhibitor GC-14 | | Descriptor: | (2~{S})-1-(3,4-dichlorophenyl)-4-pyridin-3-ylcarbonyl-~{N}-(thiophen-2-ylmethyl)piperazine-2-carboxamide, 3C-like proteinase nsp5 | | Authors: | Strater, N, Muller, C, Sylvester, K, Claff, T, Weisse, R.H, Gao, S, Tollefson, A.E, Liu, X, Zhan, P. | | Deposit date: | 2022-07-05 | | Release date: | 2022-09-28 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Discovery and Crystallographic Studies of Trisubstituted Piperazine Derivatives as Non-Covalent SARS-CoV-2 Main Protease Inhibitors with High Target Specificity and Low Toxicity.
J.Med.Chem., 65, 2022
|
|
8ACD
 | | Crystal structure of SARS-CoV-2 main protease (MPro) in complex with the non-covalent inhibitor GA-17S | | Descriptor: | (2~{S})-4-[[2,4-bis(oxidanylidene)-1~{H}-pyrimidin-6-yl]carbonyl]-1-(3,4-dichlorophenyl)-~{N}-(thiophen-2-ylmethyl)piperazine-2-carboxamide, 3C-like proteinase nsp5 | | Authors: | Strater, N, Muller, C.E, Sylvester, K, Claff, T, Weisse, R.H, Gao, S, Tollefson, A.E, Liu, X, Zhan, P. | | Deposit date: | 2022-07-05 | | Release date: | 2022-09-28 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.39 Å) | | Cite: | Discovery and Crystallographic Studies of Trisubstituted Piperazine Derivatives as Non-Covalent SARS-CoV-2 Main Protease Inhibitors with High Target Specificity and Low Toxicity.
J.Med.Chem., 65, 2022
|
|
8B56
 | | Crystal structure of SARS-CoV-2 main protease (MPro) in complex with the inhibitor GD-9 | | Descriptor: | (2~{S})-4-(2-chloranylethanoyl)-1-(3,4-dichlorophenyl)-~{N}-(thiophen-2-ylmethyl)piperazine-2-carboxamide, 3C-like proteinase nsp5, BROMIDE ION, ... | | Authors: | Straeter, N, Muller, C.E, Claff, T, Sylvester, K, Weisse, R, Gao, S, Song, L, Liu, X, Zhan, P. | | Deposit date: | 2022-09-21 | | Release date: | 2023-08-09 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.823 Å) | | Cite: | Discovery and Crystallographic Studies of Nonpeptidic Piperazine Derivatives as Covalent SARS-CoV-2 Main Protease Inhibitors.
J.Med.Chem., 65, 2022
|
|
8ILR
 | | Cryo-EM structure of PI3Kalpha in complex with compound 16 | | Descriptor: | N-[(2S)-1-(ethylamino)-1-oxidanylidene-3-[4-(2-quinoxalin-6-ylethynyl)phenyl]propan-2-yl]-2,3-dimethyl-quinoxaline-6-carboxamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | Authors: | Zhou, Q, Liu, X, Neri, D, Li, W, Favalli, N, Bassi, G, Yang, S, Yang, D, Vogt, P.K, Wang, M.-W. | | Deposit date: | 2023-03-04 | | Release date: | 2023-08-30 | | Method: | ELECTRON MICROSCOPY (3.05 Å) | | Cite: | Structural insights into the interaction of three Y-shaped ligands with PI3K alpha.
Proc.Natl.Acad.Sci.USA, 120, 2023
|
|
8ILV
 | | Cryo-EM structure of PI3Kalpha in complex with compound 18 | | Descriptor: | N-[(2R)-1-(ethylamino)-1-oxidanylidene-3-[3-(2-quinoxalin-6-ylethynyl)phenyl]propan-2-yl]-2,3-dimethyl-quinoxaline-6-carboxamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | Authors: | Zhou, Q, Liu, X, Neri, D, Li, W, Favalli, N, Bassi, G, Yang, S, Yang, D, Vogt, P.K, Wang, M.-W. | | Deposit date: | 2023-03-04 | | Release date: | 2023-09-06 | | Method: | ELECTRON MICROSCOPY (3.19 Å) | | Cite: | Structural insights into the interaction of three Y-shaped ligands with PI3K alpha.
Proc.Natl.Acad.Sci.USA, 120, 2023
|
|
8ILS
 | | Cryo-EM structure of PI3Kalpha in complex with compound 17 | | Descriptor: | N-[(2R)-1-(ethylamino)-1-oxidanylidene-3-[4-(2-quinoxalin-6-ylethynyl)phenyl]propan-2-yl]-2,3-dimethyl-quinoxaline-6-carboxamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | Authors: | Zhou, Q, Liu, X, Neri, D, Li, W, Favalli, N, Bassi, G, Yang, S, Yang, D, Vogt, P.K, Wang, M.-W. | | Deposit date: | 2023-03-04 | | Release date: | 2023-09-13 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structural insights into the interaction of three Y-shaped ligands with PI3K alpha.
Proc.Natl.Acad.Sci.USA, 120, 2023
|
|
7TD5
 | | Structure of human PRC2-EZH1 containing phosphorylated SUZ12 | | Descriptor: | Histone-lysine N-methyltransferase EZH1, Polycomb protein EED, Polycomb protein SUZ12, ... | | Authors: | Gong, L, Jiao, L, Liu, X. | | Deposit date: | 2021-12-30 | | Release date: | 2022-11-16 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.994 Å) | | Cite: | CK2-mediated phosphorylation of SUZ12 promotes PRC2 function by stabilizing enzyme active site.
Nat Commun, 13, 2022
|
|
6NQ3
 | | Crystal Structure of a SUZ12-RBBP4-PHF19-JARID2 Heterotetrameric Complex | | Descriptor: | Histone-binding protein RBBP4, PHD finger protein 19, Polycomb protein SUZ12, ... | | Authors: | Chen, S, Jiao, L, Liu, X. | | Deposit date: | 2019-01-19 | | Release date: | 2020-01-29 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.89 Å) | | Cite: | A Dimeric Structural Scaffold for PRC2-PCL Targeting to CpG Island Chromatin.
Mol.Cell, 77, 2020
|
|
5GWE
 | | cytochrome P450 CREJ | | Descriptor: | (4-methylphenyl) dihydrogen phosphate, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Dong, S, liu, X, Wang, X, Feng, Y. | | Deposit date: | 2016-09-11 | | Release date: | 2017-07-12 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Selective oxidation of aliphatic C-H bonds in alkylphenols by a chemomimetic biocatalytic system
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
|
|
1JDG
 | | Solution Structure of a Trans-Opened (10S)-dA Adduct of (+)-(7S,8R,9S,10R)-7,8-Dihydroxy-9,10-epoxy-7,8,9,10-tetrahydrobenzo[a]pyrene in a fully Complementary DNA Duplex | | Descriptor: | 5'-D(*CP*CP*TP*CP*GP*TP*GP*AP*CP*CP*G)-3', 5'-D(*CP*GP*GP*TP*CP*(BPA)AP*CP*GP*AP*GP*G)-3', 7S,8R,9R-TRIHYDROXY-7,8,9,10-TETRAHYDRO BENZO[A]PYRENE | | Authors: | Pradhan, P, Tirumala, S, Liu, X, Sayer, J.M, Jerina, D.M, Yeh, H.J.C. | | Deposit date: | 2001-06-13 | | Release date: | 2001-07-04 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution structure of a trans-opened (10S)-dA adduct of (+)-(7S,8R,9S,10R)-7,8-dihydroxy-9,10-epoxy-7,8,9,10-tetrahydrobenzo[a]pyrene in a fully complementary DNA duplex: evidence for a major syn conformation.
Biochemistry, 40, 2001
|
|
2VAS
 | | Myosin VI (MD-insert2-CaM, Delta-Insert1) Post-rigor state | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, CALCIUM ION, ... | | Authors: | Menetrey, J, Llinas, P, Cicolari, J, Squires, G, Liu, X, Li, A, Sweeney, H.L, Houdusse, A. | | Deposit date: | 2007-09-04 | | Release date: | 2007-12-11 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | The Post-Rigor Structure of Myosin Vi and Implications for the Recovery Stroke.
Embo J., 27, 2008
|
|
3TOE
 | | Structure of Mth10b | | Descriptor: | DNA/RNA-binding protein Alba | | Authors: | Pan, X.M, Zhang, N, Liu, Y.F, Liu, X. | | Deposit date: | 2011-09-05 | | Release date: | 2012-04-25 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.197 Å) | | Cite: | Molecular mechanism underlying the interaction of typical Sac10b family proteins with DNA.
Plos One, 7, 2012
|
|
2VB6
 | | Myosin VI (MD-insert2-CaM, Delta Insert1) Post-rigor state (crystal form 2) | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, CALCIUM ION, ... | | Authors: | Menetrey, J, Llinas, P, Cicolari, J, Squires, G, Liu, X, Li, A, Sweeney, H.L, Houdusse, A. | | Deposit date: | 2007-09-06 | | Release date: | 2007-12-11 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The Post-Rigor Structure of Myosin Vi and Implications for the Recovery Stroke.
Embo J., 27, 2008
|
|
1Q2S
 | | Chemical trapping and crystal structure of a catalytic tRNA guanine transglycosylase covalent intermediate | | Descriptor: | 5'-R(*AP*GP*CP*AP*CP*GP*GP*CP*UP*(PQ1)P*UP*AP*AP*AP*CP*CP*GP*UP*GP*C)-3', 9-DEAZAGUANINE, Queuine tRNA-ribosyltransferase, ... | | Authors: | Xie, W, Liu, X, Huang, R.H. | | Deposit date: | 2003-07-25 | | Release date: | 2003-09-09 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Chemical trapping and crystal structure of a catalytic tRNA guanine transglycosylase covalent intermediate
Nat.Struct.Biol., 10, 2003
|
|
3HTK
 | | Crystal structure of Mms21 and Smc5 complex | | Descriptor: | E3 SUMO-protein ligase MMS21, Structural maintenance of chromosomes protein 5, ZINC ION | | Authors: | Duan, X, Sarangi, P, Liu, X, Rangi, G.K, Zhao, X, Ye, H. | | Deposit date: | 2009-06-11 | | Release date: | 2009-10-20 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | Structural and functional insights into the roles of the Mms21 subunit of the Smc5/6 complex.
Mol.Cell, 35, 2009
|
|
5HLG
 | | Structure of reduced AbfR bound to DNA | | Descriptor: | DNA (5'-D(*TP*AP*AP*CP*TP*CP*AP*AP*TP*CP*GP*CP*GP*CP*GP*CP*GP*AP*TP*TP*GP*AP*GP*T)-3'), MarR family transcriptional regulator | | Authors: | Liu, G, Liu, X, Gan, J, Yang, C.G. | | Deposit date: | 2016-01-15 | | Release date: | 2017-01-25 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural Insights into the Redox-Sensing Mechanism of MarR-Type Regulator AbfR.
J. Am. Chem. Soc., 139, 2017
|
|
1Q2R
 | | Chemical trapping and crystal structure of a catalytic tRNA guanine transglycosylase covalent intermediate | | Descriptor: | 9-DEAZAGUANINE, Queuine tRNA-ribosyltransferase, RNA (5'-R(*AP*GP*CP*AP*CP*GP*GP*CP*UP*(N)P*UP*AP*AP*AP*CP*CP*GP*UP*GP*C)-3'), ... | | Authors: | Xie, W, Liu, X, Huang, R.H. | | Deposit date: | 2003-07-25 | | Release date: | 2003-09-09 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Chemical trapping and crystal structure of a catalytic tRNA guanine transglycosylase covalent intermediate
Nat.Struct.Biol., 10, 2003
|
|
5HLI
 | | Structure of Disulfide formed AbfR | | Descriptor: | CHLORIDE ION, COPPER (II) ION, MarR family transcriptional regulator | | Authors: | Liu, G, Liu, X, Gan, J, Yang, C.-G. | | Deposit date: | 2016-01-15 | | Release date: | 2017-01-25 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Structural Insights into the Redox-Sensing Mechanism of MarR-Type Regulator AbfR.
J. Am. Chem. Soc., 139, 2017
|
|
1PUY
 | | 1.5 A resolution structure of a synthetic DNA hairpin with a stilbenediether linker | | Descriptor: | 5'-D(*GP*TP*TP*TP*TP*GP*(S02)P*CP*AP*AP*AP*AP*C)-3', MAGNESIUM ION | | Authors: | Egli, M, Tereshko, V, Murshudov, G, Sanishvili, R, Liu, X, Lewis, F.D. | | Deposit date: | 2003-06-25 | | Release date: | 2003-10-14 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Face-to-face and edge-to-face pi-pi interactions in a synthetic DNA hairpin with a stilbenediether linker
J.Am.Chem.Soc., 125, 2003
|
|
5HLH
 | | Crystal structure of the overoxidized AbfR bound to DNA | | Descriptor: | DNA (5'-D(*TP*AP*AP*CP*TP*CP*AP*AP*TP*CP*GP*CP*GP*CP*GP*CP*GP*AP*TP*TP*GP*AP*GP*T)-3'), MarR family transcriptional regulator | | Authors: | Liu, G, Liu, X, Gan, J, Yang, C.-G. | | Deposit date: | 2016-01-15 | | Release date: | 2017-01-25 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural Insights into the Redox-Sensing Mechanism of MarR-Type Regulator AbfR.
J. Am. Chem. Soc., 139, 2017
|
|
3TG2
 | | Crystal structure of the ISC domain of VibB in complex with isochorismate | | Descriptor: | (5S,6S)-5-[(1-carboxyethenyl)oxy]-6-hydroxycyclohexa-1,3-diene-1-carboxylic acid, TRIETHYLENE GLYCOL, Vibriobactin-specific isochorismatase | | Authors: | Liu, S, Zhang, C, Niu, B, Li, N, Liu, X, Liu, M, Wei, T, Zhu, D, Huang, Y, Xu, S, Gu, L. | | Deposit date: | 2011-08-17 | | Release date: | 2012-08-29 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.101 Å) | | Cite: | Structural insight into the ISC domain of VibB from Vibrio cholerae at atomic resolution: a snapshot just before the enzymatic reaction
Acta Crystallogr.,Sect.D, 68, 2012
|
|
3PFT
 | | Crystal Structure of Untagged C54A Mutant Flavin Reductase (DszD) in Complex with FMN From Mycobacterium goodii | | Descriptor: | FLAVIN MONONUCLEOTIDE, Flavin reductase | | Authors: | Li, Q, Xu, P, Ma, C, Gu, L, Liu, X, Zhang, C, Li, N, Su, J, Li, B, Liu, S. | | Deposit date: | 2010-10-29 | | Release date: | 2011-11-02 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.601 Å) | | Cite: | The flavin reductase DSZD from a desulfurizing mycobacterium goodii strain: systemic manipulation and investigation based on the crystal structure
To be Published
|
|
8IQ6
 | | Cryo-EM structure of Latanoprost-bound prostaglandin-F2-alpha receptor-miniGq-Nb35 complex | | Descriptor: | 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, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ... | | Authors: | Lv, X, Gao, K, Nie, J, Zhang, X, Zhang, S, Ren, Y, Li, Q, Huang, J, Liu, L, Zhang, X, Sun, X, Zhang, W, Liu, X. | | Deposit date: | 2023-03-15 | | Release date: | 2024-01-31 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Structures of human prostaglandin F 2 alpha receptor reveal the mechanism of ligand and G protein selectivity.
Nat Commun, 14, 2023
|
|
8IQ4
 | | Cryo-EM structure of Carboprost-bound prostaglandin-F2-alpha receptor-miniGq-Nb35 complex | | Descriptor: | 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, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ... | | Authors: | Lv, X, Gao, K, Nie, J, Zhang, X, Zhang, S, Ren, Y, Li, Q, Huang, J, Liu, L, Zhang, X, Sun, X, Zhang, W, Liu, X. | | Deposit date: | 2023-03-15 | | Release date: | 2024-01-31 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | Structures of human prostaglandin F 2 alpha receptor reveal the mechanism of ligand and G protein selectivity.
Nat Commun, 14, 2023
|
|
