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5Z90
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BU of 5z90 by Molmil
BRD4 Bromodomain 1 with an inhibitor
Descriptor: 1-ethyl-6-pyrrolidin-1-ylsulfonyl-benzo[cd]indol-2-one, Bromodomain-containing protein 4
Authors:Xiao, S, Chen, S, Chen, H.
Deposit date:2018-02-01
Release date:2019-02-06
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:BRD4 Bromodomain 1 with an inhibitor
To Be Published
5Z8G
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BU of 5z8g by Molmil
BRD4 Bromodomain 1 with an inhibitor
Descriptor: 1-ethyl-6-[(3R)-3-oxidanylpiperidin-1-yl]sulfonyl-benzo[cd]indol-2-one, Bromodomain-containing protein 4, DIMETHYL SULFOXIDE
Authors:Xiao, S, Chen, S, Chen, H.
Deposit date:2018-01-31
Release date:2019-02-06
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.701 Å)
Cite:BRD4 Bromodomain 1 with an inhibitor
To Be Published
5Z8R
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BU of 5z8r by Molmil
BRD4 Bromodomain 1 with an inhibitor
Descriptor: 1-ethyl-6-[(3S)-3-oxidanylpiperidin-1-yl]sulfonyl-benzo[cd]indol-2-one, Bromodomain-containing protein 4
Authors:Xiao, S, Chen, S, Chen, H.
Deposit date:2018-02-01
Release date:2019-02-06
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:BRD4 Bromodomain 1 with an inhibitor
To Be Published
5Z8Z
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BU of 5z8z by Molmil
BRD4 Bromodomain 1 with an inhibitor
Descriptor: 6-[(3S)-3-azanylpiperidin-1-yl]sulfonyl-1-ethyl-benzo[cd]indol-2-one, Bromodomain-containing protein 4
Authors:Xiao, S, Chen, S, Chen, H.
Deposit date:2018-02-01
Release date:2019-02-06
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:BRD4 Bromodomain 1 with an inhibitor
To Be Published
5Z9K
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BU of 5z9k by Molmil
BRD4 Bromodomain 1 with an inhibitor
Descriptor: 1-ethyl-6-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonyl-benzo[cd]indol-2-one, Bromodomain-containing protein 4
Authors:Xiao, S, Chen, S, Chen, H.
Deposit date:2018-02-03
Release date:2019-02-06
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:BRD4 Bromodomain 1 with an inhibitor
To Be Published
6KEE
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BU of 6kee by Molmil
Crystal structure of BRD4 Bromodomain1 with an inhibitor
Descriptor: 6-[2-[2,4-bis(fluoranyl)phenoxy]-5-(methylsulfonylmethyl)pyridin-3-yl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one, Bromodomain-containing protein 4
Authors:Xiao, S, Li, Z, Chen, S, Zhou, B, Luo, C.
Deposit date:2019-07-04
Release date:2020-07-08
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.12154651 Å)
Cite:Crystal structure of BRD4 Bromodomain1 with an inhibitor
To be published
6KEG
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BU of 6keg by Molmil
BRD4 Bromodomain1 with an inhibitor
Descriptor: 6-[2-[2,4-bis(fluoranyl)phenoxy]-5-(ethylsulfonylmethyl)pyridin-3-yl]-8-methyl-4H-pyrrolo[1,2-a]pyrazin-1-one, Bromodomain-containing protein 4
Authors:Xiao, S, Li, Z, Chen, S, Zhou, B, Luo, C.
Deposit date:2019-07-04
Release date:2020-07-08
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.232 Å)
Cite:BRD4 Bromodomain1 with an inhibitor
To Be Published
6KEF
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BU of 6kef by Molmil
BRD4 Bromodomain1 with an inhibitor
Descriptor: Bromodomain-containing protein 4, N-[3-(8-methyl-1-oxidanylidene-2H-pyrrolo[1,2-a]pyrazin-6-yl)-4-phenoxy-phenyl]methanesulfonamide
Authors:Xiao, S, Li, Z, Chen, S, Zhou, B, Luo, C.
Deposit date:2019-07-04
Release date:2020-07-08
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.44467545 Å)
Cite:BRD4 Bromodomain1 with an inhibitor
To Be Published
6KED
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BU of 6ked by Molmil
BRD4 Bromodomain1 with an inhibitor
Descriptor: 6-[2-[2,4-bis(fluoranyl)phenoxy]-5-(methylsulfonylmethyl)pyridin-3-yl]-8-methyl-2H-pyrrolo[1,2-d][1,2,4]triazin-1-one, Bromodomain-containing protein 4
Authors:Xiao, S, Li, Z, Chen, S, Zhou, B, Luo, C.
Deposit date:2019-07-04
Release date:2020-07-08
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.548447 Å)
Cite:BRD4 Bromodomain1 with an inhibitor
To Be Published
2N9D
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BU of 2n9d by Molmil
Structure analysis of the Tom1 GAT domain reveals distinct ligand-specific conformational states
Descriptor: Target of Myb protein 1
Authors:Xiao, S, Jeffrey, E.F, Geoffrey, A.S, Capelluto, D.G.S.
Deposit date:2015-11-15
Release date:2016-09-21
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Structure of the GAT domain of the endosomal adapter protein Tom1.
Data Brief, 7, 2016
2LSW
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BU of 2lsw by Molmil
Structure, sulfatide-binding properties, and inhibition of platelet aggregation by a Disabled-2-derived peptide
Descriptor: Disabled homolog 2
Authors:Xiao, S.
Deposit date:2012-05-08
Release date:2012-09-19
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structure, Sulfatide Binding Properties, and Inhibition of Platelet Aggregation by a Disabled-2 Protein-derived Peptide.
J.Biol.Chem., 287, 2012
2N2N
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BU of 2n2n by Molmil
Tom1 negatively modulates binding of Tollip to phosphatidylinositol 3-phosphate via a coupled folding and binding mechanism
Descriptor: Target of Myb protein 1
Authors:Xiao, S, Armstrong, G, Capelluto, D.
Deposit date:2015-05-11
Release date:2015-09-16
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Tom1 Modulates Binding of Tollip to Phosphatidylinositol 3-Phosphate via a Coupled Folding and Binding Mechanism.
Structure, 23, 2015
2N31
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BU of 2n31 by Molmil
Tom1 negatively modulates binding of Tollip to phosphatidylinositol 3-phosphate via a coupled folding and binding mechanism
Descriptor: Toll interacting protein variant
Authors:Xiao, S, Armstrong, G, Capelluto, D.
Deposit date:2015-05-19
Release date:2015-09-16
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Tom1 Modulates Binding of Tollip to Phosphatidylinositol 3-Phosphate via a Coupled Folding and Binding Mechanism.
Structure, 23, 2015
5T7Q
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BU of 5t7q by Molmil
TIRAP phosphoinositide-binding motif
Descriptor: Toll/interleukin-1 receptor domain-containing adapter protein
Authors:Capelluto, D.G.S, Ellena, J.F, Armstrong, G, Zhao, X, Xiao, S.
Deposit date:2016-09-05
Release date:2017-03-08
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Membrane targeting of TIRAP is negatively regulated by phosphorylation in its phosphoinositide-binding motif.
Sci Rep, 7, 2017
4WZF
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BU of 4wzf by Molmil
Crystal structural basis for Rv0315, an immunostimulatory antigen and pseudo beta-1, 3-glucanase of Mycobacterium tuberculosis
Descriptor: 1,2-ETHANEDIOL, 1,3-beta-glucanase, CALCIUM ION
Authors:Dong, W.Y, Fu, Z.F, Peng, G.Q.
Deposit date:2014-11-19
Release date:2015-12-09
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.699 Å)
Cite:Crystal structural basis for Rv0315, an immunostimulatory antigen and inactive beta-1,3-glucanase of Mycobacterium tuberculosis.
Sci Rep, 5, 2015
4XFQ
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BU of 4xfq by Molmil
Crystal Structure Basis for PEDV 3C Like Protease
Descriptor: PEDV main protease
Authors:Ye, G, Fu, Z.F, Peng, G.Q.
Deposit date:2014-12-28
Release date:2016-01-20
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural basis for the dimerization and substrate recognition specificity of porcine epidemic diarrhea virus 3C-like protease.
Virology, 494, 2016
5KZF
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BU of 5kzf by Molmil
Crystal structure of near full-length hexameric Mycobacterium tuberculosis proteasomal ATPase Mpa in apo form
Descriptor: Proteasome-associated ATPase
Authors:Li, H, Hu, K, Yang, S, Bai, L.
Deposit date:2016-07-25
Release date:2017-05-17
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (3.49 Å)
Cite:Mycobacterium tuberculosis proteasomal ATPase Mpa has a beta-grasp domain that hinders docking with the proteasome core protease.
Mol. Microbiol., 105, 2017
6IVD
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BU of 6ivd by Molmil
TGEV nsp1 mutant - 91-95sg
Descriptor: nsp1 mutant protein
Authors:Shen, Z, Peng, G.Q.
Deposit date:2018-12-03
Release date:2019-08-07
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.975 Å)
Cite:A conserved region of nonstructural protein 1 from alphacoronaviruses inhibits host gene expression and is critical for viral virulence.
J.Biol.Chem., 294, 2019
6IVC
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BU of 6ivc by Molmil
The full length of TGEV nsp1
Descriptor: nsp1 protein
Authors:Shen, Z, Peng, G.Q.
Deposit date:2018-12-03
Release date:2019-08-07
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A conserved region of nonstructural protein 1 from alphacoronaviruses inhibits host gene expression and is critical for viral virulence.
J.Biol.Chem., 294, 2019
5KWA
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BU of 5kwa by Molmil
complete structure of the Mycobacterium tuberculosis proteasomal ATPase Mpa
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Proteasome-associated ATPase
Authors:Wang, T, WU, Y.J.
Deposit date:2016-07-17
Release date:2017-06-07
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Mycobacterium tuberculosis proteasomal ATPase Mpa has a beta-grasp domain that hinders docking with the proteasome core protease
Mol. Microbiol., 105, 2017
7YRV
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BU of 7yrv by Molmil
Solution structures of a disulfide-directed multicyclic peptide with affinity for FGFR1
Descriptor: LF1
Authors:Fan, S.H, Wu, C.L.
Deposit date:2022-08-10
Release date:2023-08-16
Last modified:2024-09-04
Method:SOLUTION NMR
Cite:Disulfide-Directed Multicyclic Peptide Libraries for the Discovery of Peptide Ligands and Drugs.
J.Am.Chem.Soc., 145, 2023
7YRW
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BU of 7yrw by Molmil
Solution structures of a disulfide-directed multicyclic peptide with affinity for HER2
Descriptor: LH2
Authors:Fan, S.H, Wu, C.L.
Deposit date:2022-08-10
Release date:2023-08-16
Last modified:2024-09-04
Method:SOLUTION NMR
Cite:Disulfide-Directed Multicyclic Peptide Libraries for the Discovery of Peptide Ligands and Drugs.
J.Am.Chem.Soc., 145, 2023
7YRX
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BU of 7yrx by Molmil
Solution structures of a disulfide-directed multicyclic peptide with affinity for HER3
Descriptor: LH3
Authors:Fan, S.H, Wu, C.L.
Deposit date:2022-08-11
Release date:2023-08-16
Last modified:2024-09-04
Method:SOLUTION NMR
Cite:Disulfide-Directed Multicyclic Peptide Libraries for the Discovery of Peptide Ligands and Drugs.
J.Am.Chem.Soc., 145, 2023
8SYC
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BU of 8syc by Molmil
Crystal structure of PDE3B in complex with GSK4394835A
Descriptor: MAGNESIUM ION, [3-[(4,7-dimethoxyquinolin-2-yl)carbonylamino]-5-[methyl-(phenylmethyl)carbamoyl]phenyl]-oxidanyl-oxidanylidene-boron, cGMP-inhibited 3',5'-cyclic phosphodiesterase 3B
Authors:Concha, N.O, Nolte, R.
Deposit date:2023-05-25
Release date:2024-02-07
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Discovery and SAR Study of Boronic Acid-Based Selective PDE3B Inhibitors from a Novel DNA-Encoded Library.
J.Med.Chem., 67, 2024
4ZUH
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BU of 4zuh by Molmil
Complex structure of PEDV 3CLpro mutant (C144A) with a peptide substrate.
Descriptor: PEDV 3C-Like protease, peptide substrate SAVLQSGF
Authors:Ye, G, Fu, Z.F, Peng, G.Q.
Deposit date:2015-05-16
Release date:2016-06-15
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.394 Å)
Cite:Structural basis for the dimerization and substrate recognition specificity of porcine epidemic diarrhea virus 3C-like protease.
Virology, 494, 2016

 

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