8H07
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5ZUD
| Fit R10 Fab coordinates into the cryo-EM of EV71 in complex with D6 | Descriptor: | Capsid protein VP1, R10 ANTIBODY HEAVY CHAIN, R10 ANTIBODY LIGHT CHAIN, ... | Authors: | Wang, X, Zhu, L, Wang, N. | Deposit date: | 2018-05-07 | Release date: | 2019-12-25 | Last modified: | 2021-01-06 | Method: | ELECTRON MICROSCOPY (4.9 Å) | Cite: | Neutralization Mechanisms of Two Highly Potent Antibodies against Human Enterovirus 71. Mbio, 9, 2018
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5ZUF
| Fit R10 Fab coordinates into the cryo-EM of EV71 in complex with A9 | Descriptor: | Capsid protein VP1, R10 ANTIBODY HEAVY CHAIN, R10 ANTIBODY LIGHT CHAIN, ... | Authors: | Wang, X, Zhu, L, Wang, N. | Deposit date: | 2018-05-07 | Release date: | 2019-12-25 | Last modified: | 2021-01-06 | Method: | ELECTRON MICROSCOPY (6.8 Å) | Cite: | Neutralization Mechanisms of Two Highly Potent Antibodies against Human Enterovirus 71. Mbio, 9, 2018
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8EAZ
| HOIL-1/E2-Ub/Ub transthiolation complex | Descriptor: | RanBP-type and C3HC4-type zinc finger-containing protein 1, Ubiquitin, Ubiquitin-conjugating enzyme E2 L3, ... | Authors: | Wang, X.S, Cotton, T.R, Lechtenberg, B.C. | Deposit date: | 2022-08-30 | Release date: | 2023-01-18 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (3.08 Å) | Cite: | The unifying catalytic mechanism of the RING-between-RING E3 ubiquitin ligase family. Nat Commun, 14, 2023
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7LGI
| The haddock model of GDP KRas in complex with promazine using chemical shift perturbations and intermolecular NOEs | Descriptor: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Wang, X, Gorfe, A.A, Putkey, J.A. | Deposit date: | 2021-01-20 | Release date: | 2021-07-21 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Antipsychotic phenothiazine drugs bind to KRAS in vitro. J.Biomol.Nmr, 75, 2021
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7MIZ
| Atomic structure of cortical microtubule from Toxoplasma gondii | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Wang, X, Brown, A, Sibley, L.D, Zhang, R. | Deposit date: | 2021-04-18 | Release date: | 2021-06-02 | Last modified: | 2021-06-09 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Cryo-EM structure of cortical microtubules from human parasite Toxoplasma gondii identifies their microtubule inner proteins. Nat Commun, 12, 2021
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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
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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
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7MQU
| The haddock model of GDP KRas in complex with promethazine using NMR chemical shift perturbations | Descriptor: | (2R)-N,N-dimethyl-1-(10H-phenothiazin-10-yl)propan-2-amine, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Wang, X, Gorfe, A.A, Putkey, J.P. | Deposit date: | 2021-05-06 | Release date: | 2022-05-11 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Antipsychotic phenothiazine drugs bind to KRAS in vitro. J.Biomol.Nmr, 75, 2021
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5K0K
| Crystal structure of the catalytic domain of the proto-oncogene tyrosine-protein kinase MER in complex with inhibitor UNC2434 | Descriptor: | 15-{4-[(4-methylpiperazin-1-yl)methyl]phenyl}-4,5,6,7,9,10,11,12-octahydro-2,16-(azenometheno)pyrrolo[2,1-d][1,3,5,9]te traazacyclotetradecin-8(3H)-one, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Wang, X, Liu, J, Zhang, W, Stashko, M.A, Nichols, J, DeRyckere, D, Miley, M.J, Norris-Drouin, J, Chen, Z, Machius, M, Wood, E, Graham, D.K, Earp, H.S, Graham, K, Kireev, D, Frye, S.V. | Deposit date: | 2016-05-17 | Release date: | 2017-01-11 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.545 Å) | Cite: | Design and Synthesis of Novel Macrocyclic Mer Tyrosine Kinase Inhibitors. ACS Med Chem Lett, 7, 2016
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4Y35
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5XEX
| Crystal structure of S.aureus PNPase catalytic domain | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, PYROPHOSPHATE, ... | Authors: | Wang, X, Zhang, X, Zang, J. | Deposit date: | 2017-04-06 | Release date: | 2017-10-18 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Enolase binds to RnpA in competition with PNPase in Staphylococcus aureus FEBS Lett., 591, 2017
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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
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4Y4A
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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
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6UWL
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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
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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
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4Y45
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4Y5G
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6M3C
| hAPC-h1573 Fab complex | Descriptor: | Vitamin K-dependent protein C heavy chain, Vitamin K-dependent protein C light chain, h1573 Fab H chain, ... | Authors: | Wang, X, Wang, D, Zhao, X, Egner, U. | Deposit date: | 2020-03-03 | Release date: | 2020-07-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.7 Å) | Cite: | Targeted inhibition of activated protein C by a non-active-site inhibitory antibody to treat hemophilia. Nat Commun, 11, 2020
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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
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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
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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
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4Y58
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