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PDB: 687 results

8H07
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BU of 8h07 by Molmil
SARS-CoV-2 BA.4 variants S ectodomain trimer in complex with neutralizing antibody 10-5B and 6-2C
Descriptor: 10-5B H chain, 10-5B L chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Wang, X, Wang, Z.
Deposit date:2022-09-28
Release date:2023-05-31
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Inactivated vaccine-elicited potent antibodies can broadly neutralize SARS-CoV-2 circulating variants.
Nat Commun, 14, 2023
5ZUD
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BU of 5zud by Molmil
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
5ZUF
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BU of 5zuf by Molmil
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
8EAZ
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BU of 8eaz by Molmil
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
7LGI
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BU of 7lgi by Molmil
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
7MIZ
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BU of 7miz by Molmil
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
3HBF
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BU of 3hbf by Molmil
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
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BU of 3hbj by Molmil
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
7MQU
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BU of 7mqu by Molmil
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
5K0K
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BU of 5k0k by Molmil
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
4Y35
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BU of 4y35 by Molmil
Endothiapepsin in complex with fragment 290
Descriptor: 4-chlorobenzyl carbamimidothioate, ACETATE ION, DIMETHYL SULFOXIDE, ...
Authors:Wang, X, Heine, A, Klebe, G.
Deposit date:2015-02-10
Release date:2016-03-02
Method:X-RAY DIFFRACTION (1.457 Å)
Cite:Crystallographic Fragment Screening of an Entire Library
To Be Published
5XEX
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BU of 5xex by Molmil
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
4Y5E
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BU of 4y5e by Molmil
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
4Y4A
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BU of 4y4a by Molmil
Endothiapepsin in complex with fragment 286
Descriptor: 5-(aminomethyl)-2-methoxyphenol, ACETATE ION, Endothiapepsin, ...
Authors:Wang, X, Heine, A, Klebe, G.
Deposit date:2015-02-10
Release date:2016-03-02
Method:X-RAY DIFFRACTION (1.278 Å)
Cite:Crystallographic Fragment Screening of an Entire Library
To Be Published
4Y5B
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BU of 4y5b by Molmil
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
6UWL
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BU of 6uwl by Molmil
GltPh in complex with L-aspartate and sodium ions in intermediate 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:2020-04-22
Last modified:2020-11-18
Method:ELECTRON MICROSCOPY (3.62 Å)
Cite:Use of paramagnetic 19 F NMR to monitor domain movement in a glutamate transporter homolog.
Nat.Chem.Biol., 16, 2020
4Y3R
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BU of 4y3r by Molmil
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
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BU of 4y5c by Molmil
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
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BU of 4y45 by Molmil
Endothiapepsin in complex with fragment 291
Descriptor: ACETATE ION, DIMETHYL SULFOXIDE, Endothiapepsin, ...
Authors:Wang, X, Heine, A, Klebe, G.
Deposit date:2015-02-10
Release date:2016-02-17
Method:X-RAY DIFFRACTION (1.06 Å)
Cite:Crystallographic Fragment Screening of an Entire Library
To Be Published
4Y5G
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BU of 4y5g by Molmil
Endothiapepsin in complex with fragment 272
Descriptor: ACETATE ION, DIMETHYL SULFOXIDE, 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 (1.47 Å)
Cite:Crystallographic Fragment Sreening of an Entire Library
to be published
6M3C
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BU of 6m3c by Molmil
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
6V5L
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BU of 6v5l by Molmil
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
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BU of 6vro by Molmil
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
6UWF
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BU of 6uwf by Molmil
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
4Y58
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BU of 4y58 by Molmil
Endothiapepsin in complex with fragment 260
Descriptor: ACETATE ION, DI(HYDROXYETHYL)ETHER, 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 (1.17 Å)
Cite:Crystallographic Fragment Sreening of an Entire Library
to be published

224931

数据于2024-09-11公开中

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