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PDB: 851 results

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
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
5HLY
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BU of 5hly by Molmil
Structure of Pro-Activin A Precursor at 2.3 A Resolution
Descriptor: CHLORIDE ION, Inhibin beta A chain
Authors:Wang, X, Fischer, G, Hyvonen, M.
Deposit date:2016-01-15
Release date:2016-07-13
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.302 Å)
Cite:Structure and activation of pro-activin A.
Nat Commun, 7, 2016
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
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
4Y5K
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BU of 4y5k by Molmil
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
8IDI
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BU of 8idi by Molmil
Crystal structure of nanobody VHH-T71 with MERS-CoV RBD
Descriptor: Spike protein S1, VHH-T71, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-D-mannopyranose-(1-3)][alpha-D-mannopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Wang, X, Tian, L.
Deposit date:2023-02-13
Release date:2024-02-28
Method:X-RAY DIFFRACTION (1.901 Å)
Cite:Structural Definition of a Novel Nanobody Binding Site specifically targeting the MERS-CoV RBD Core-Domain with Neutralizing Capacity
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
8IEE
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BU of 8iee by Molmil
Crystal structure of nanobody VHH-31 with MERS-CoV RBD
Descriptor: Spike protein S1, VHH-31
Authors:Wang, X, Tian, L.
Deposit date:2023-02-15
Release date:2024-02-28
Method:X-RAY DIFFRACTION (3.21 Å)
Cite:Structures and neutralizing mechanisms of camel nanobodies targeting the receptor-binding domain of MERS-CoV spike glycoprotein
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
5B7I
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BU of 5b7i by Molmil
Cas3-AcrF3 complex
Descriptor: ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, CRISPR-associated nuclease/helicase Cas3 subtype I-F/YPEST, ...
Authors:Wang, X, Zhu, Y.
Deposit date:2016-06-07
Release date:2016-07-06
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural basis of Cas3 inhibition by the bacteriophage protein AcrF3
Nat.Struct.Mol.Biol., 23, 2016
7CWO
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BU of 7cwo by Molmil
SARS-CoV-2 spike protein RBD and P17 fab complex
Descriptor: Spike glycoprotein, heavy chain of P17 Fab, light chain of P17 Fab
Authors:Wang, X, Wang, N.
Deposit date:2020-08-29
Release date:2020-12-16
Last modified:2021-01-13
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Rational development of a human antibody cocktail that deploys multiple functions to confer Pan-SARS-CoVs protection.
Cell Res., 31, 2021
8GSF
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BU of 8gsf by Molmil
Echovirus3 empty particle in complex with 6D10 Fab (sideling)
Descriptor: Heavy chain of 6D10, Light chain of 6D10, VP0, ...
Authors:Wang, X, Fu, W.
Deposit date:2022-09-06
Release date:2022-12-14
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structural Basis for the Immunogenicity of the C-Terminus of VP1 of Echovirus 3 Revealed by the Binding of a Neutralizing Antibody.
Viruses, 14, 2022
8GSD
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BU of 8gsd by Molmil
Echovirus3 full particle in complex with 6D10 Fab
Descriptor: Genome polyprotein, Genome polyprotein (Fragment), Heavy chain of 6D10, ...
Authors:Wang, X, Fu, W.
Deposit date:2022-09-06
Release date:2022-12-14
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural Basis for the Immunogenicity of the C-Terminus of VP1 of Echovirus 3 Revealed by the Binding of a Neutralizing Antibody.
Viruses, 14, 2022
8GSE
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BU of 8gse by Molmil
Echovirus3 capsid protein in complex with 6D10 Fab (upright)
Descriptor: Heavy chain of 6D10, Light chain of 6D10, VP0, ...
Authors:Wang, X, Fu, W.
Deposit date:2022-09-06
Release date:2022-12-14
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Structural Basis for the Immunogenicity of the C-Terminus of VP1 of Echovirus 3 Revealed by the Binding of a Neutralizing Antibody.
Viruses, 14, 2022
8GSC
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BU of 8gsc by Molmil
Echovirus3 A-particle in complex with 6D10 Fab
Descriptor: Heavy chain of 6D10, Light chain of 6D10, VP1, ...
Authors:Wang, X, Fu, W.
Deposit date:2022-09-06
Release date:2022-12-14
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structural Basis for the Immunogenicity of the C-Terminus of VP1 of Echovirus 3 Revealed by the Binding of a Neutralizing Antibody.
Viruses, 14, 2022
7CWL
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BU of 7cwl by Molmil
SARS-CoV-2 spike protein and P17 fab complex with one RBD in close state
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab P17 heavy chain, Fab P17 light chain, ...
Authors:Wang, X, Wang, N.
Deposit date:2020-08-29
Release date:2021-01-27
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Rational development of a human antibody cocktail that deploys multiple functions to confer Pan-SARS-CoVs protection.
Cell Res., 31, 2021
7CE2
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BU of 7ce2 by Molmil
The Crystal structure of TeNT Hc complexed with neutralizing antibody
Descriptor: Tetanus toxin, neutralizing antibody heavy chain, neutralizing antibody light chain
Authors:Wang, X, Wang, Y, Wu, C, Yu, J, Liao, H.
Deposit date:2020-06-21
Release date:2021-04-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Structural basis of tetanus toxin neutralization by native human monoclonal antibodies.
Cell Rep, 35, 2021
7CHO
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BU of 7cho by Molmil
Crystal structure of SARS-CoV-2 antibody P5A-1D2 with RBD
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody P5A-1D2 heavy chain, ...
Authors:Wang, X, Zhang, L, Ge, J, Wang, R, Zhang, Q.
Deposit date:2020-07-06
Release date:2021-05-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.561 Å)
Cite:Potent and protective IGHV3-53/3-66 public antibodies and their shared escape mutant on the spike of SARS-CoV-2.
Nat Commun, 12, 2021
7CHS
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BU of 7chs by Molmil
Crystal structure of SARS-CoV-2 antibody P22A-1D1 with RBD
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody P22A-1D1 heavy chain, ...
Authors:Wang, X, Zhang, L, Ge, J, Wang, R, Zhang, Q.
Deposit date:2020-07-06
Release date:2021-05-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.401 Å)
Cite:Potent and protective IGHV3-53/3-66 public antibodies and their shared escape mutant on the spike of SARS-CoV-2.
Nat Commun, 12, 2021
7CHP
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BU of 7chp by Molmil
Crystal structure of SARS-CoV-2 antibody P5A-3C8 with RBD
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody P5A-3C8 heavy chain, ...
Authors:Wang, X, Zhang, L, Ge, J, Wang, R, Zhang, Q.
Deposit date:2020-07-06
Release date:2021-05-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.357 Å)
Cite:Potent and protective IGHV3-53/3-66 public antibodies and their shared escape mutant on the spike of SARS-CoV-2.
Nat Commun, 12, 2021
5HLZ
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BU of 5hlz by Molmil
Structure of Pro-Activin A Complex at 2.85 A resolution
Descriptor: Inhibin beta A chain
Authors:Wang, X, Fischer, G, Hyvonen, M.
Deposit date:2016-01-15
Release date:2016-07-13
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.851 Å)
Cite:Structure and activation of pro-activin A.
Nat Commun, 7, 2016
2GAS
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BU of 2gas by Molmil
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
8IDO
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BU of 8ido by Molmil
Crystal structure of nanobody VHH-T148 with MERS-CoV RBD
Descriptor: Spike protein S1, VHH-T148, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Wang, X, Tian, L.
Deposit date:2023-02-14
Release date:2024-02-28
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structures and neutralizing mechanisms of camel nanobodies targeting the receptor-binding domain of MERS-CoV spike glycoprotein
To Be Published
8IDM
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BU of 8idm by Molmil
Crystal structure of nanobody VHH-227 with nanobody VHH-T71 and MERS-CoV RBD
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 protein S1, ...
Authors:Wang, X, Tian, L.
Deposit date:2023-02-13
Release date:2024-02-28
Method:X-RAY DIFFRACTION (3.59 Å)
Cite:Structural Definition of a Novel Nanobody Binding Site specifically targeting the MERS-CoV RBD Core-Domain with Neutralizing Capacity
To Be Published

221716

數據於2024-06-26公開中

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