6UWL
| |
4Y35
| |
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
|
|
7YBJ
| SARS-CoV-2 Mu variant spike(close state) | Descriptor: | Spike glycoprotein | Authors: | Wang, X, Fu, W. | Deposit date: | 2022-06-29 | Release date: | 2023-07-12 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (3.73 Å) | Cite: | Structures of SARS-CoV-2 spike protein alert noteworthy sites for the potential approaching variants. Virol Sin, 37, 2022
|
|
7YBI
| SARS-CoV-2 Mu variant spike (open state) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Wang, X, Fu, W. | Deposit date: | 2022-06-29 | Release date: | 2023-07-12 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (4.1 Å) | Cite: | Structures of SARS-CoV-2 spike protein alert noteworthy sites for the potential approaching variants. Virol Sin, 37, 2022
|
|
7YBL
| SARS-CoV-2 B.1.620 variant spike (close state) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Wang, X, Fu, W. | Deposit date: | 2022-06-29 | Release date: | 2023-08-09 | Last modified: | 2024-02-21 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Structures of SARS-CoV-2 spike protein alert noteworthy sites for the potential approaching variants. Virol Sin, 37, 2022
|
|
7YBH
| SARS-CoV-2 lambda variant spike | 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, Fu, W. | Deposit date: | 2022-06-29 | Release date: | 2023-08-09 | Last modified: | 2024-02-21 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Structures of SARS-CoV-2 spike protein alert noteworthy sites for the potential approaching variants. Virol Sin, 37, 2022
|
|
7YBM
| SARS-CoV-2 C.1.2 variant spike (Close state) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Wang, X, Fu, W. | Deposit date: | 2022-06-29 | Release date: | 2023-08-09 | Last modified: | 2024-02-21 | Method: | ELECTRON MICROSCOPY (3.45 Å) | Cite: | Structures of SARS-CoV-2 spike protein alert noteworthy sites for the potential approaching variants. Virol Sin, 37, 2022
|
|
7YBK
| SARS-CoV-2 B.1.620 variant spike (open state) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Wang, X, Fu, W. | Deposit date: | 2022-06-29 | Release date: | 2023-09-06 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Structures of SARS-CoV-2 spike protein alert noteworthy sites for the potential approaching variants. Virol Sin, 37, 2022
|
|
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
|
|
4Y4A
| |
4Y5E
| Endothiapepsin in complex with fragment 268 | Descriptor: | (2R)-N-(trans-4-methylcyclohexyl)tetrahydrofuran-2-carboxamide, ACETATE ION, DIMETHYL SULFOXIDE, ... | 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 (1.116 Å) | Cite: | Crystallographic Fragment Sreening of an Entire Library to be published
|
|
4Y5B
| Endothiapepsin in complex with fragment 261 | Descriptor: | 2-({[(1S)-1-cyclopropylethyl](methyl)amino}methyl)quinazolin-4(3H)-one, ACETATE ION, DIMETHYL SULFOXIDE, ... | 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 (1.24 Å) | Cite: | Crystallographic Fragment Sreening of an Entire Library to be published
|
|
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: | 2024-10-09 | 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
|
|
4Y45
| |
4Y5G
| |
7YBN
| SARS-CoV-2 C.1.2 variant spike (Open state) | Descriptor: | Spike glycoprotein | Authors: | Wang, X, Fu, W. | Deposit date: | 2022-06-29 | Release date: | 2023-11-29 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (3.82 Å) | Cite: | Structures of SARS-CoV-2 spike protein alert noteworthy sites for the potential approaching variants. Virol Sin, 37, 2022
|
|
6NJD
| |
6X15
| |
4Y58
| |
4Y5K
| Endothiapepsin in complex with fragment 274 | Descriptor: | (1S)-2-amino-1-(4-fluorophenyl)ethanol, ACETATE ION, DIMETHYL SULFOXIDE, ... | 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 (1.439 Å) | Cite: | Crystallographic Fragment Sreening of an Entire Library to be published
|
|
6X16
| Inward-facing state of the glutamate transporter homologue GltPh in complex with TBOA | Descriptor: | (3S)-3-(BENZYLOXY)-L-ASPARTIC ACID, Glutamate transporter homologue GltPh, [(2~{R})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-hexadecanoyloxy-propan-2-yl] (~{Z})-octadec-9-enoate | Authors: | Wang, X, Boudker, O. | Deposit date: | 2020-05-18 | Release date: | 2020-11-18 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.39 Å) | Cite: | Large domain movements through the lipid bilayer mediate substrate release and inhibition of glutamate transporters. Elife, 9, 2020
|
|
6X13
| Inward-facing sodium-bound state of the glutamate transporter homologue GltPh | Descriptor: | Glutamate transporter homologue GltPh, [(2~{R})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-hexadecanoyloxy-propan-2-yl] (~{Z})-octadec-9-enoate | Authors: | Wang, X, Boudker, O. | Deposit date: | 2020-05-18 | Release date: | 2020-11-18 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.66 Å) | Cite: | Large domain movements through the lipid bilayer mediate substrate release and inhibition of glutamate transporters. Elife, 9, 2020
|
|