1NYY
 
 | | Crystal Structure of the complex between M182T mutant of TEM-1 and a boronic acid inhibitor (105) | | Descriptor: | Beta-lactamase TEM, N-[5-METHYL-3-O-TOLYL-ISOXAZOLE-4-CARBOXYLIC ACID AMIDE] BORONIC ACID | | Authors: | Wang, X, Minasov, G, Blazquez, J, Caselli, E, Prati, F, Shoichet, B.K. | | Deposit date: | 2003-02-14 | | Release date: | 2003-08-26 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Recognition and resistance in TEM beta-lactamase
Biochemistry, 42, 2003
|
|
1NY0
 | | Crystal Structure of the complex between M182T mutant of TEM-1 and a boronic acid inhibitor (NBF) | | Descriptor: | Beta-lactamase TEM, PHOSPHATE ION, POTASSIUM ION, ... | | Authors: | Wang, X, Minasov, G, Blazquez, J, Caselli, E, Prati, F, Shoichet, B.K. | | Deposit date: | 2003-02-11 | | Release date: | 2003-08-26 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Recognition and Resistance in TEM beta-lactamase
Biochemistry, 42, 2003
|
|
6UWF
 | | GltPh in complex with L-aspartate and sodium ions in outward-facing state | | Descriptor: | ASPARTIC ACID, Glutamate transporter homolog, [(2~{R})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-hexadecanoyloxy-propan-2-yl] (~{Z})-octadec-9-enoate | | Authors: | Wang, X, Boudker, O. | | Deposit date: | 2019-11-05 | | Release date: | 2020-06-03 | | Last modified: | 2020-11-18 | | Method: | ELECTRON MICROSCOPY (3.08 Å) | | Cite: | Use of paramagnetic 19 F NMR to monitor domain movement in a glutamate transporter homolog.
Nat.Chem.Biol., 16, 2020
|
|
6UWL
 | |
6V5L
 | | The HADDOCK structure model of GDP KRas in complex with its allosteric inhibitor E22 | | Descriptor: | (2R)-2-[2-(1H-indole-3-carbonyl)hydrazinyl]-2-phenylacetamide, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Wang, X, Gupta, A.K, Prakash, P, Putkey, J.P, Gorfe, A.A. | | Deposit date: | 2019-12-04 | | Release date: | 2019-12-18 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Multi target ensemble based virtual screening yields novel allosteric KRAS inhibitors at high success rate
Chemical Biology & Drug Design, 94, 2019
|
|
6VRO
 | | The structure of the PP2A B56 subunit AIM1 complex | | Descriptor: | Beta/gamma crystallin domain-containing protein 1, Serine/threonine-protein phosphatase 2A 56 kDa regulatory subunit gamma isoform | | Authors: | Wang, X, Page, R, Peti, W. | | Deposit date: | 2020-02-08 | | Release date: | 2020-03-25 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | A dynamic charge-charge interaction modulates PP2A:B56 substrate recruitment.
Elife, 9, 2020
|
|
1NXY
 | | Crystal Structure of the complex between M182T mutant of TEM-1 and a boronic acid inhibitor (SM2) | | Descriptor: | (1R)-1-(2-THIENYLACETYLAMINO)-1-(3-CARBOXYPHENYL)METHYLBORONIC ACID, Beta-lactamase TEM, POTASSIUM ION | | Authors: | Wang, X, Minasov, G, Blazquez, J, Caselli, E, Prati, F, Shoichet, B.K. | | Deposit date: | 2003-02-11 | | Release date: | 2003-08-26 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Recognition and Resistance in TEM beta-lactamase
Biochemistry, 42, 2003
|
|
1LI9
 | | Crystal structure of TEM-34 beta-Lactamase at 1.5 Angstrom | | Descriptor: | Class A beta-Lactamase- TEM-34, PHOSPHATE ION, POTASSIUM ION | | Authors: | Wang, X, Minasov, G, Shoichet, B.K. | | Deposit date: | 2002-04-17 | | Release date: | 2002-09-11 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | The structural bases of antibiotic resistance in the clinically derived mutant beta-lactamases TEM-30, TEM-32, and TEM-34.
J.Biol.Chem., 277, 2002
|
|
7FCD
 | | Structure of the SARS-CoV-2 A372T spike glycoprotein (open) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | | Authors: | Wang, X, Zhang, S. | | Deposit date: | 2021-07-14 | | Release date: | 2022-01-26 | | Last modified: | 2022-03-16 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Loss of Spike N370 glycosylation as an important evolutionary event for the enhanced infectivity of SARS-CoV-2.
Cell Res., 32, 2022
|
|
7FCE
 | | Structure of the SARS-CoV-2 A372T spike glycoprotein (closed) | | 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: | Wang, X, Zhang, S. | | Deposit date: | 2021-07-14 | | Release date: | 2022-01-26 | | Last modified: | 2022-03-16 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Loss of Spike N370 glycosylation as an important evolutionary event for the enhanced infectivity of SARS-CoV-2.
Cell Res., 32, 2022
|
|
2GAS
 | | Crystal Structure of Isoflavone Reductase | | Descriptor: | isoflavone reductase | | Authors: | Wang, X, He, X, Lin, J, Shao, H, Chang, Z, Dixon, R.A. | | Deposit date: | 2006-03-09 | | Release date: | 2006-04-25 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal Structure of Isoflavone Reductase from Alfalfa (Medicago sativa L.)
J.Mol.Biol., 358, 2006
|
|
3HBF
 | | Structure of UGT78G1 complexed with myricetin and UDP | | Descriptor: | 3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-4H-CHROMEN-4-ONE, Flavonoid 3-O-glucosyltransferase, URIDINE-5'-DIPHOSPHATE | | Authors: | Wang, X, Modolo, L, Li, L, Dixon, R. | | Deposit date: | 2009-05-04 | | Release date: | 2009-09-01 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structures of glycosyltransferase UGT78G1 reveal the molecular basis for glycosylation and deglycosylation of (iso)flavonoids.
J.Mol.Biol., 392, 2009
|
|
3HBJ
 | | Structure of UGT78G1 complexed with UDP | | Descriptor: | Flavonoid 3-O-glucosyltransferase, URIDINE-5'-DIPHOSPHATE | | Authors: | Wang, X, Modolo, L, Li, L, Dixon, R. | | Deposit date: | 2009-05-04 | | Release date: | 2009-09-01 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structures of glycosyltransferase UGT78G1 reveal the molecular basis for glycosylation and deglycosylation of (iso)flavonoids.
J.Mol.Biol., 392, 2009
|
|
5IL0
 | | Crystal structural of the METTL3-METTL14 complex for N6-adenosine methylation | | Descriptor: | 1,2-ETHANEDIOL, BROMIDE ION, METTL14, ... | | Authors: | Wang, X, Guan, Z, Zou, T, Yin, P. | | Deposit date: | 2016-03-04 | | Release date: | 2016-05-25 | | Last modified: | 2016-06-29 | | Method: | X-RAY DIFFRACTION (1.882 Å) | | Cite: | Structural basis of N6-adenosine methylation by the METTL3-METTL14 complex
Nature, 534, 2016
|
|
5IL1
 | | Crystal structure of SAM-bound METTL3-METTL14 complex | | Descriptor: | 1,2-ETHANEDIOL, METTL14, METTL3, ... | | Authors: | Wang, X, Guan, Z, Zou, T, Yin, P. | | Deposit date: | 2016-03-04 | | Release date: | 2016-05-25 | | Last modified: | 2016-06-29 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | Structural basis of N6-adenosine methylation by the METTL3-METTL14 complex
Nature, 534, 2016
|
|
5IL2
 | | Crystal structure of SAH-bound METTL3-METTL14 complex | | Descriptor: | 1,2-ETHANEDIOL, METTL14, METTL3, ... | | Authors: | Wang, X, Guan, Z, Zou, T, Yin, P. | | Deposit date: | 2016-03-04 | | Release date: | 2016-05-25 | | Last modified: | 2016-06-29 | | Method: | X-RAY DIFFRACTION (1.606 Å) | | Cite: | Structural basis of N6-adenosine methylation by the METTL3-METTL14 complex
Nature, 534, 2016
|
|
5WSN
 | | Structure of Japanese encephalitis virus | | Descriptor: | E protein, M protein | | Authors: | Wang, X, Zhu, L, Li, S, Yuan, S, Qin, C, Fry, E.E, Stuart, I.D, Rao, Z. | | Deposit date: | 2016-12-07 | | Release date: | 2017-05-17 | | Last modified: | 2019-11-06 | | Method: | ELECTRON MICROSCOPY (4.3 Å) | | Cite: | Near-atomic structure of Japanese encephalitis virus reveals critical determinants of virulence and stability
Nat Commun, 8, 2017
|
|
5WTF
 | | Cryo-EM structure for Hepatitis A virus empty particle | | Descriptor: | VP0, VP1, VP3 | | Authors: | Wang, X, Zhu, L, Dang, M, Hu, Z, Gao, Q, Yuan, S, Sun, Y, Zhang, B, Ren, J, Walter, T.S, Wang, J, Fry, E.E, Stuart, D.I, Rao, Z. | | Deposit date: | 2016-12-11 | | Release date: | 2017-01-25 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Potent neutralization of hepatitis A virus reveals a receptor mimic mechanism and the receptor recognition site
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
|
|
5WTH
 | | Cryo-EM structure for Hepatitis A virus complexed with FAB | | Descriptor: | FAB Heavy Chain, FAB Light Chain, Polyprotein, ... | | Authors: | Wang, X, Zhu, L, Dang, M, Hu, Z, Gao, Q, Yuan, S, Sun, Y, Zhang, B, Ren, J, Walter, T.S, Wang, J, Fry, E.E, Stuart, D.I, Rao, Z. | | Deposit date: | 2016-12-12 | | Release date: | 2017-01-25 | | Last modified: | 2019-11-06 | | Method: | ELECTRON MICROSCOPY (4.2 Å) | | Cite: | Potent neutralization of hepatitis A virus reveals a receptor mimic mechanism and the receptor recognition site
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
|
|
5WTE
 | | Cryo-EM structure for Hepatitis A virus full particle | | Descriptor: | VP1, VP2, VP3 | | Authors: | Wang, X, Zhu, L, Dang, M, Hu, Z, Gao, Q, Yuan, S, Sun, Y, Zhang, B, Ren, J, Walter, T.S, Wang, J, Fry, E.E, Stuart, D.I, Rao, Z. | | Deposit date: | 2016-12-11 | | Release date: | 2017-01-25 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Potent neutralization of hepatitis A virus reveals a receptor mimic mechanism and the receptor recognition site
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
|
|
5WTG
 | | Crystal structure of the Fab fragment of anti-HAV antibody R10 | | Descriptor: | FAB Heavy chain, FAB Light chain | | Authors: | Wang, X, Zhu, L, Dang, M, Hu, Z, Gao, Q, Yuan, S, Sun, Y, Zhang, B, Ren, J, Walter, T.S, Wang, J, Fry, E.E, Stuart, D.I, Rao, Z. | | Deposit date: | 2016-12-11 | | Release date: | 2017-01-25 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.907 Å) | | Cite: | Potent neutralization of hepatitis A virus reveals a receptor mimic mechanism and the receptor recognition site
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
|
|
7FEE
 | | Crystal structure of the allosteric modulator ZCZ011 binding to CP55940-bound cannabinoid receptor 1 | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-[(1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]-5-(2-methyloctan-2-yl)phenol, 6-methyl-3-[(1S)-2-nitro-1-thiophen-2-yl-ethyl]-2-phenyl-1H-indole, ... | | Authors: | Wang, X, Zhao, C, Shao, Z. | | Deposit date: | 2021-07-19 | | Release date: | 2022-06-15 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Molecular mechanism of allosteric modulation for the cannabinoid receptor CB1.
Nat.Chem.Biol., 18, 2022
|
|
4Y35
 | |
4Y3R
 | | Endothiapepsin in complex with fragment 306 | | Descriptor: | 2-chlorobenzyl carbamimidothioate, ACETATE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Wang, X, Heine, A, Klebe, G. | | Deposit date: | 2015-02-10 | | Release date: | 2016-02-17 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.13 Å) | | Cite: | Crystallographic Fragment Screening of an Entire Library
To Be Published
|
|
4Y5C
 | | Endothiapepsin in complex with fragment 267 | | Descriptor: | 2,5-dimethyl-N-(pyridin-4-yl)furan-3-carboxamide, ACETATE ION, Endothiapepsin, ... | | Authors: | Wang, X, Heine, A, Klebe, G. | | Deposit date: | 2015-02-11 | | Release date: | 2016-03-02 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.19 Å) | | Cite: | Crystallographic Fragment Sreening of an Entire Library
to be published
|
|
