4HSU
 
 | | Crystal structure of LSD2-NPAC with H3(1-26)in space group P21 | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Histone H3, Lysine-specific histone demethylase 1B, ... | | Authors: | Chen, F, Dong, Z, Fang, J, Xu, Y. | | Deposit date: | 2012-10-30 | | Release date: | 2013-02-13 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.988 Å) | | Cite: | Structural insight into substrate recognition by histone demethylase LSD2/KDM1b.
Cell Res., 23, 2013
|
|
4NDZ
 | | Structure of Maltose Binding Protein fusion to 2-O-Sulfotransferase with bound heptasaccharide and PAP | | Descriptor: | ADENOSINE-3'-5'-DIPHOSPHATE, Maltose-binding periplasmic protein, Heparan sulfate 2-O-sulfotransferase 1 fusion, ... | | Authors: | Liu, C, Sheng, J, Krahn, J.M, Perera, L, Xu, Y, Hsieh, P, Liu, J, Pedersen, L.C. | | Deposit date: | 2013-10-28 | | Release date: | 2014-03-19 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3.45 Å) | | Cite: | Deciphering the role of 2-O-sulfotransferase in regulating heparan sulfate biosynthesis
To be Published
|
|
4IA0
 | | Crystal structure of the PDE5A1 catalytic domain in complex with novel inhibitors | | Descriptor: | 5-bromo-2-{2-ethoxy-5-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}-6-octylpyrimidin-4(3H)-one, MAGNESIUM ION, ZINC ION, ... | | Authors: | Ren, J, Chen, T, Xu, Y. | | Deposit date: | 2012-12-05 | | Release date: | 2014-01-01 | | Method: | X-RAY DIFFRACTION (2.17 Å) | | Cite: | Exploration of the 5-bromopyrimidin-4(3H)-ones as potent inhibitors of PDE5.
Bioorg.Med.Chem.Lett., 23, 2013
|
|
4NM6
 | | Crystal structure of TET2-DNA complex | | Descriptor: | 5'-D(*AP*CP*CP*AP*CP*(5CM)P*GP*GP*TP*GP*GP*T)-3', FE (II) ION, Methylcytosine dioxygenase TET2, ... | | Authors: | Hu, L, Li, Z, Cheng, J, Rao, Q, Gong, W, Liu, M, Wang, P, Xu, Y. | | Deposit date: | 2013-11-14 | | Release date: | 2013-12-18 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.026 Å) | | Cite: | Crystal Structure of TET2-DNA Complex: Insight into TET-Mediated 5mC Oxidation.
Cell(Cambridge,Mass.), 155, 2013
|
|
4I9Z
 | | Crystal structure of the PDE5A1 catalytic domain in complex with novel inhibitors | | Descriptor: | 5-bromo-2-{5-[(4-methylpiperazin-1-yl)acetyl]-2-propoxyphenyl}-6-(propan-2-yl)pyrimidin-4(3H)-one, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ... | | Authors: | Ren, J, Chen, T, Xu, Y. | | Deposit date: | 2012-12-05 | | Release date: | 2014-01-01 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | Exploration of the 5-bromopyrimidin-4(3H)-ones as potent inhibitors of PDE5.
Bioorg.Med.Chem.Lett., 23, 2013
|
|
8IUE
 | | RNA polymerase III pre-initiation complex melting complex 1 | | Descriptor: | DNA (74-MER), DNA-directed RNA polymerase III subunit RPC1, DNA-directed RNA polymerase III subunit RPC10, ... | | Authors: | Hou, H, Jin, Q, Ren, Y, Wang, Q, Xu, Y. | | Deposit date: | 2023-03-24 | | Release date: | 2023-05-24 | | Last modified: | 2023-07-12 | | Method: | ELECTRON MICROSCOPY (4.1 Å) | | Cite: | Structure of the SNAPc-bound RNA polymerase III preinitiation complex.
Cell Res., 33, 2023
|
|
8IUH
 | | RNA polymerase III pre-initiation complex open complex 1 | | Descriptor: | DNA (81-MER), DNA-directed RNA polymerase III subunit RPC1, DNA-directed RNA polymerase III subunit RPC10, ... | | Authors: | Hou, H, Jin, Q, Ren, Y, Wang, Q, Xu, Y. | | Deposit date: | 2023-03-24 | | Release date: | 2023-05-24 | | Last modified: | 2023-07-12 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Structure of the SNAPc-bound RNA polymerase III preinitiation complex.
Cell Res., 33, 2023
|
|
8ITY
 | | human RNA polymerase III pre-initiation complex closed DNA 1 | | Descriptor: | DNA (82-MER), DNA-directed RNA polymerase III subunit RPC1, DNA-directed RNA polymerase III subunit RPC10, ... | | Authors: | Hou, H, Jin, Q, Ren, Y, Wang, Q, Xu, Y. | | Deposit date: | 2023-03-23 | | Release date: | 2023-06-07 | | Last modified: | 2023-07-12 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Structure of the SNAPc-bound RNA polymerase III preinitiation complex.
Cell Res., 33, 2023
|
|
4QGC
 | | crystal structure of PKM2-K422R mutant | | Descriptor: | GLYCEROL, POTASSIUM ION, Pyruvate kinase PKM, ... | | Authors: | Wang, P, Sun, C, Zhu, T, Xu, Y. | | Deposit date: | 2014-05-22 | | Release date: | 2015-02-25 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.296 Å) | | Cite: | Structural insight into mechanisms for dynamic regulation of PKM2.
Protein Cell, 6, 2015
|
|
4QG6
 | | crystal structure of PKM2-Y105E mutant | | Descriptor: | PROLINE, Pyruvate kinase PKM | | Authors: | Wang, P, Sun, C, Zhu, T, Xu, Y. | | Deposit date: | 2014-05-22 | | Release date: | 2015-02-25 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (3.207 Å) | | Cite: | Structural insight into mechanisms for dynamic regulation of PKM2.
Protein Cell, 6, 2015
|
|
4QG8
 | | crystal structure of PKM2-K305Q mutant | | Descriptor: | GLYCEROL, MAGNESIUM ION, MALONATE ION, ... | | Authors: | Wang, P, Sun, C, Zhu, T, Xu, Y. | | Deposit date: | 2014-05-22 | | Release date: | 2015-02-25 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural insight into mechanisms for dynamic regulation of PKM2.
Protein Cell, 6, 2015
|
|
4QG9
 | | crystal structure of PKM2-R399E mutant | | Descriptor: | ACETATE ION, MAGNESIUM ION, Pyruvate kinase PKM | | Authors: | Wang, P, Sun, C, Zhu, T, Xu, Y. | | Deposit date: | 2014-05-22 | | Release date: | 2015-02-25 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.381 Å) | | Cite: | Structural insight into mechanisms for dynamic regulation of PKM2.
Protein Cell, 6, 2015
|
|
8GXD
 | | L-LEUCINE DEHYDROGENASE FROM EXIGUOBACTERIUM SIBIRICUM | | Descriptor: | CALCIUM ION, GLYCEROL, Glu/Leu/Phe/Val dehydrogenase | | Authors: | Mu, X, Nie, Y, Wu, T, Wang, Y, Zhang, N, Yin, D, Xu, Y. | | Deposit date: | 2022-09-19 | | Release date: | 2023-04-26 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (3.02 Å) | | Cite: | Reshaping Substrate-Binding Pocket of Leucine Dehydrogenase for Bidirectionally Accessing Structurally Diverse Substrates
Acs Catalysis, 13, 2023
|
|
7WPB
 | | SARS-CoV-2 Omicron Variant RBD complexed with ACE2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, CHLORIDE ION, ... | | Authors: | Yin, W, Xu, Y, Xu, P, Cao, X, Wu, C, Gu, C, He, X, Wang, X, Huang, S, Yuan, Q, Wu, K, Hu, W, Huang, Z, Liu, J, Wang, Z, Jia, F, Xia, K, Liu, P, Wang, X, Song, B, Zheng, J, Jiang, H, Cheng, X, Jiang, Y, Deng, S, Xu, E. | | Deposit date: | 2022-01-23 | | Release date: | 2022-03-09 | | Last modified: | 2022-03-16 | | Method: | ELECTRON MICROSCOPY (2.79 Å) | | Cite: | Structures of the Omicron spike trimer with ACE2 and an anti-Omicron antibody.
Science, 375, 2022
|
|
7WPC
 | | The second RBD of SARS-CoV-2 Omicron Variant in complexed with RBD-ACE2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ... | | Authors: | Yin, W, Xu, Y, Xu, P, Cao, X, Wu, C, Gu, C, He, X, Wang, X, Huang, S, Yuan, Q, Wu, K, Hu, W, Huang, Z, Liu, J, Wang, Z, Jia, F, Xia, K, Liu, P, Wang, X, Song, B, Zheng, J, Jiang, H, Cheng, X, Jiang, Y, Deng, S, Xu, E. | | Deposit date: | 2022-01-23 | | Release date: | 2022-03-09 | | Last modified: | 2022-03-16 | | Method: | ELECTRON MICROSCOPY (2.57 Å) | | Cite: | Structures of the Omicron spike trimer with ACE2 and an anti-Omicron antibody.
Science, 375, 2022
|
|
7WP9
 | | SARS-CoV-2 Omicron Variant SPIKE trimer, all RBDs down | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | | Authors: | Yin, W, Xu, Y, Xu, P, Cao, X, Wu, C, Gu, C, He, X, Wang, X, Huang, S, Yuan, Q, Wu, K, Hu, W, Huang, Z, Liu, J, Wang, Z, Jia, F, Xia, K, Liu, P, Wang, X, Song, B, Zheng, J, Jiang, H, Cheng, X, Jiang, Y, Deng, S, Xu, E. | | Deposit date: | 2022-01-23 | | Release date: | 2022-03-09 | | Last modified: | 2022-03-16 | | Method: | ELECTRON MICROSCOPY (2.56 Å) | | Cite: | Structures of the Omicron spike trimer with ACE2 and an anti-Omicron antibody.
Science, 375, 2022
|
|
7WPA
 | | SARS-CoV-2 Omicron Variant SPIKE trimer complexed with ACE2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ... | | Authors: | Yin, W, Xu, Y, Xu, P, Cao, X, Wu, C, Gu, C, He, X, Wang, X, Huang, S, Yuan, Q, Wu, K, Hu, W, Huang, Z, Liu, J, Wang, Z, Jia, F, Xia, K, Liu, P, Wang, X, Song, B, Zheng, J, Jiang, H, Cheng, X, Jiang, Y, Deng, S, Xu, E. | | Deposit date: | 2022-01-23 | | Release date: | 2022-03-09 | | Last modified: | 2022-03-16 | | Method: | ELECTRON MICROSCOPY (2.77 Å) | | Cite: | Structures of the Omicron spike trimer with ACE2 and an anti-Omicron antibody.
Science, 375, 2022
|
|
8IKU
 | |
8J0I
 | | Aldo-keto reductase KmAKR | | Descriptor: | NADPH-dependent alpha-keto amide reductase, SODIUM ION | | Authors: | Xu, S.Y, Zhou, L, Xu, Y, Wang, Y.J, Zheng, Y.G. | | Deposit date: | 2023-04-11 | | Release date: | 2024-04-17 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | Aldo-keto reductase KmAKR from Kluyveromyces marxianus
To Be Published
|
|
5WIE
 | | Crystal structure of a Kv1.2-2.1 chimera K+ channel V406W mutant in an inactivated state | | Descriptor: | (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, POTASSIUM ION, ... | | Authors: | Pau, V, Zhou, Y, Ramu, Y, Xu, Y, Lu, Z. | | Deposit date: | 2017-07-19 | | Release date: | 2017-08-30 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Crystal structure of an inactivated mutant mammalian voltage-gated K(+) channel.
Nat. Struct. Mol. Biol., 24, 2017
|
|
7WKY
 | | Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor Y13153 | | Descriptor: | 2-(2-cyclopentyl-1~{H}-imidazol-5-yl)-7-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-5-methyl-furo[3,2-c]pyridin-4-one, Bromodomain-containing protein 4, GLYCEROL | | Authors: | Li, J, Zhang, C, Xu, H, Zhuang, X, Wu, X, Zhang, Y, Xu, Y. | | Deposit date: | 2022-01-12 | | Release date: | 2022-08-10 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.83 Å) | | Cite: | Structure-Based Discovery and Optimization of Furo[3,2- c ]pyridin-4(5 H )-one Derivatives as Potent and Second Bromodomain (BD2)-Selective Bromo and Extra Terminal Domain (BET) Inhibitors.
J.Med.Chem., 65, 2022
|
|
7WMQ
 | | Crystal Structure of the second bromodomain of human BRD2 in complex with the inhibitor Y13157 | | Descriptor: | 2-(2-cyclobutyl-1~{H}-imidazol-5-yl)-7-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-5-methyl-furo[3,2-c]pyridin-4-one, FORMIC ACID, GLYCEROL, ... | | Authors: | Li, J, Zhang, C, Xu, H, Zhuang, X, Wu, X, Zhang, Y, Xu, Y. | | Deposit date: | 2022-01-16 | | Release date: | 2022-08-10 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.37 Å) | | Cite: | Structure-Based Discovery and Optimization of Furo[3,2- c ]pyridin-4(5 H )-one Derivatives as Potent and Second Bromodomain (BD2)-Selective Bromo and Extra Terminal Domain (BET) Inhibitors.
J.Med.Chem., 65, 2022
|
|
7WN5
 | | Crystal Structure of the second bromodomain of human BRD2 in complex with the inhibitor Y13142 | | Descriptor: | 1,2-ETHANEDIOL, Isoform 4 of Bromodomain-containing protein 2, POTASSIUM ION, ... | | Authors: | Li, J, Zhang, C, Xu, H, Zhuang, X, Wu, X, Zhang, Y, Xu, Y. | | Deposit date: | 2022-01-17 | | Release date: | 2022-08-10 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structure-Based Discovery and Optimization of Furo[3,2- c ]pyridin-4(5 H )-one Derivatives as Potent and Second Bromodomain (BD2)-Selective Bromo and Extra Terminal Domain (BET) Inhibitors.
J.Med.Chem., 65, 2022
|
|
7WNA
 | | Crystal Structure of the second bromodomain of human BRD2 in complex with the inhibitor Y13120 | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Isoform 4 of Bromodomain-containing protein 2, ... | | Authors: | Li, J, Zhang, C, Xu, H, Zhuang, X, Wu, X, Zhang, Y, Xu, Y. | | Deposit date: | 2022-01-17 | | Release date: | 2022-08-10 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structure-Based Discovery and Optimization of Furo[3,2- c ]pyridin-4(5 H )-one Derivatives as Potent and Second Bromodomain (BD2)-Selective Bromo and Extra Terminal Domain (BET) Inhibitors.
J.Med.Chem., 65, 2022
|
|
7WJS
 | | Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor Y13157 | | Descriptor: | 2-(2-cyclobutyl-1~{H}-imidazol-5-yl)-7-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-5-methyl-furo[3,2-c]pyridin-4-one, Bromodomain-containing protein 4, GLYCEROL | | Authors: | Li, J, Zhang, C, Xu, H, Zhuang, X, Wu, X, Zhang, Y, Xu, Y. | | Deposit date: | 2022-01-07 | | Release date: | 2022-08-10 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.73 Å) | | Cite: | Structure-Based Discovery and Optimization of Furo[3,2- c ]pyridin-4(5 H )-one Derivatives as Potent and Second Bromodomain (BD2)-Selective Bromo and Extra Terminal Domain (BET) Inhibitors.
J.Med.Chem., 65, 2022
|
|
