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3II5
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BU of 3ii5 by Molmil
The Complex of wild-type B-RAF with Pyrazolo pyrimidine inhibitor
Descriptor: B-Raf proto-oncogene serine/threonine-protein kinase, N-[3-(3-{4-[(dimethylamino)methyl]phenyl}pyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-3-(trifluoromethyl)benzamide, PHOSPHATE ION
Authors:Xu, W, Breger, D, Torres, N, Dutia, M, Powell, D, Ciszewski, G.
Deposit date:2009-07-31
Release date:2009-11-10
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Non-hinge-binding pyrazolo[1,5-a]pyrimidines as potent B-Raf kinase inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
2HB1
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BU of 2hb1 by Molmil
Crystal Structure of PTP1B with Monocyclic Thiophene Inhibitor
Descriptor: 4-BROMO-3-(CARBOXYMETHOXY)THIOPHENE-2-CARBOXYLIC ACID, Tyrosine-protein phosphatase non-receptor type 1
Authors:Xu, W, Wan, Z.-K, Lee, J.
Deposit date:2006-06-13
Release date:2006-08-29
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:Monocyclic thiophenes as protein tyrosine phosphatase 1B inhibitors: Capturing interactions with Asp48.
Bioorg.Med.Chem.Lett., 16, 2006
2H4G
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BU of 2h4g by Molmil
Crystal structure of PTP1B with monocyclic thiophene inhibitor
Descriptor: 4-BROMO-3-(CARBOXYMETHOXY)-5-(4-HYDROXYPHENYL)THIOPHENE-2-CARBOXYLIC ACID, Tyrosine-protein phosphatase non-receptor type 1
Authors:Xu, W, Wan, Z.-K.
Deposit date:2006-05-24
Release date:2006-08-29
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Monocyclic thiophenes as protein tyrosine phosphatase 1B inhibitors: Capturing interactions with Asp48.
Bioorg.Med.Chem.Lett., 16, 2006
2H4K
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BU of 2h4k by Molmil
Crystal structure of PTP1B with a monocyclic thiophene inhibitor
Descriptor: 4-BROMO-3-(CARBOXYMETHOXY)-5-PHENYLTHIOPHENE-2-CARBOXYLIC ACID, Tyrosine-protein phosphatase non-receptor type 1
Authors:Xu, W, Wan, Z.-K.
Deposit date:2006-05-24
Release date:2006-08-29
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Monocyclic thiophenes as protein tyrosine phosphatase 1B inhibitors: Capturing interactions with Asp48.
Bioorg.Med.Chem.Lett., 16, 2006
4M0Q
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BU of 4m0q by Molmil
Ebola virus VP24 structure
Descriptor: Membrane-associated protein VP24
Authors:Xu, W, Leung, D.W, Borek, D, Amarasinghe, G.K.
Deposit date:2013-08-01
Release date:2014-03-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.921 Å)
Cite:The Marburg Virus VP24 Protein Interacts with Keap1 to Activate the Cytoprotective Antioxidant Response Pathway.
Cell Rep, 6, 2014
2NTA
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BU of 2nta by Molmil
Crystal Structure of PTP1B-inhibitor Complex
Descriptor: 5-(4-CHLORO-5-PHENYL-3-THIENYL)-1,2,5-THIADIAZOLIDIN-3-ONE 1,1-DIOXIDE, Tyrosine-protein phosphatase non-receptor type 1
Authors:Xu, W, Follows, B.
Deposit date:2006-11-07
Release date:2007-04-17
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Probing acid replacements of thiophene PTP1B inhibitors.
Bioorg.Med.Chem.Lett., 17, 2007
2NT7
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BU of 2nt7 by Molmil
Crystal structure of PTP1B-inhibitor complex
Descriptor: Tyrosine-protein phosphatase non-receptor type 1, {[5-(3-{[1-(BENZYLSULFONYL)PIPERIDIN-4-YL]AMINO}PHENYL)-4-BROMO-2-(2H-TETRAZOL-5-YL)-3-THIENYL]OXY}ACETIC ACID
Authors:Xu, W, Follows, B.
Deposit date:2006-11-07
Release date:2007-04-17
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Probing acid replacements of thiophene PTP1B inhibitors.
Bioorg.Med.Chem.Lett., 17, 2007
4FLK
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BU of 4flk by Molmil
Human MetAP1 with bengamide analog Y10, in Mn form
Descriptor: (E,2R,3R,4S,5R)-N-(2,3-dihydro-1H-inden-2-yl)-2-methoxy-8,8-dimethyl-3,4,5-tris(oxidanyl)non-6-enamide, MANGANESE (II) ION, Methionine aminopeptidase 1, ...
Authors:Ye, Q.Z, Xu, W.
Deposit date:2012-06-14
Release date:2012-09-19
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Structural analysis of bengamide derivatives as inhibitors of methionine aminopeptidases.
J.Med.Chem., 55, 2012
4FLI
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BU of 4fli by Molmil
Human MetAP1 with bengamide analog Y16, in Mn form
Descriptor: (E,2R,3R,4S,5R)-N-(2-azanyl-2-oxidanylidene-ethyl)-2-methoxy-8,8-dimethyl-3,4,5-tris(oxidanyl)non-6-enamide, MANGANESE (II) ION, Methionine aminopeptidase 1, ...
Authors:Ye, Q.Z, Xu, W.
Deposit date:2012-06-14
Release date:2012-09-19
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structural analysis of bengamide derivatives as inhibitors of methionine aminopeptidases.
J.Med.Chem., 55, 2012
4FLJ
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BU of 4flj by Molmil
Human MetAP1 with bengamide analog Y08, in Mn form
Descriptor: (E,2R,3R,4S,5R)-N-[[(3S)-1-cyclopropylcarbonylpiperidin-3-yl]methyl]-2-methoxy-8,8-dimethyl-3,4,5-tris(oxidanyl)non-6-enamide, MANGANESE (II) ION, Methionine aminopeptidase 1, ...
Authors:Ye, Q.Z, Xu, W.
Deposit date:2012-06-14
Release date:2012-09-19
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Structural analysis of bengamide derivatives as inhibitors of methionine aminopeptidases.
J.Med.Chem., 55, 2012
4FLL
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BU of 4fll by Molmil
Human MetAP1 with bengamide analog YZ6, in Mn form
Descriptor: (E,2R,3R,4S,5R)-N-[(3R)-3-(furan-2-yl)-3-phenyl-propyl]-2-methoxy-8,8-dimethyl-3,4,5-tris(oxidanyl)non-6-enamide, MANGANESE (II) ION, Methionine aminopeptidase 1, ...
Authors:Ye, Q.Z, Xu, W.
Deposit date:2012-06-14
Release date:2012-09-19
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural analysis of bengamide derivatives as inhibitors of methionine aminopeptidases.
J.Med.Chem., 55, 2012
7WHS
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BU of 7whs by Molmil
Cryo-EM Structure of Leishmanial GDP-mannose pyrophosphorylase in complex with GTP
Descriptor: GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Nucleotidyl transferase family protein
Authors:Xu, W, Li, H, Huang, C.
Deposit date:2021-12-31
Release date:2022-09-21
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural insights into selective inhibition of leishmanial GDP-mannose pyrophosphorylase.
Cell Discov, 8, 2022
7WHR
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BU of 7whr by Molmil
Cryo-EM Structure of Leishmanial GDP-mannose pyrophosphorylase
Descriptor: Nucleotidyl transferase family protein
Authors:Xu, W, Li, H, Huang, C.
Deposit date:2021-12-31
Release date:2022-09-21
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structural insights into selective inhibition of leishmanial GDP-mannose pyrophosphorylase.
Cell Discov, 8, 2022
7WHT
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BU of 7wht by Molmil
Cryo-EM Structure of Leishmanial GDP-mannose pyrophosphorylase in complex with GDP-Mannose
Descriptor: GUANOSINE-5'-DIPHOSPHATE-ALPHA-D-MANNOSE, MAGNESIUM ION, Nucleotidyl transferase family protein
Authors:Xu, W, Li, H, Huang, C.
Deposit date:2021-12-31
Release date:2022-10-12
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structural insights into selective inhibition of leishmanial GDP-mannose pyrophosphorylase.
Cell Discov, 8, 2022
7V4L
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BU of 7v4l by Molmil
Cryo-EM Structure of Camellia sinensis glutamine synthetase CsGSIb inactive Pentamer State III
Descriptor: Glutamine synthetase
Authors:Xu, W, Chen, Y, Xing, Q, Huang, C.
Deposit date:2021-08-13
Release date:2022-05-18
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Assembly status transition offers an avenue for activity modulation of a supramolecular enzyme.
Elife, 10, 2021
7V4J
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BU of 7v4j by Molmil
Cryo-EM Structure of Camellia sinensis glutamine synthetase CsGSIb inactive Pentamer State I
Descriptor: Glutamine synthetase
Authors:Xu, W, Chen, Y, Xing, Q, Huang, C.
Deposit date:2021-08-13
Release date:2022-05-18
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Assembly status transition offers an avenue for activity modulation of a supramolecular enzyme.
Elife, 10, 2021
7V4H
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BU of 7v4h by Molmil
Cryo-EM Structure of Glycine max glutamine synthetase GmGS Beta2
Descriptor: Glutamine synthetase
Authors:Xu, W, Chen, Y, Xing, Q, Huang, C.
Deposit date:2021-08-13
Release date:2022-05-18
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Assembly status transition offers an avenue for activity modulation of a supramolecular enzyme.
Elife, 10, 2021
7V4I
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BU of 7v4i by Molmil
Cryo-EM Structure of Camellia sinensis glutamine synthetase CsGSIb decamer assembly
Descriptor: Glutamine synthetase
Authors:Xu, W, Chen, Y, Xing, Q, Huang, C.
Deposit date:2021-08-13
Release date:2022-05-18
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Assembly status transition offers an avenue for activity modulation of a supramolecular enzyme.
Elife, 10, 2021
7V4K
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BU of 7v4k by Molmil
Cryo-EM Structure of Camellia sinensis glutamine synthetase CsGSIb inactive Pentamer State II
Descriptor: Glutamine synthetase
Authors:Xu, W, Chen, Y, Xing, Q, Huang, C.
Deposit date:2021-08-13
Release date:2022-05-18
Method:ELECTRON MICROSCOPY
Cite:Assembly status transition offers an avenue for activity modulation of a supramolecular enzyme.
Elife, 10, 2021
3KO1
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BU of 3ko1 by Molmil
Cystal structure of thermosome from Acidianus tengchongensis strain S5
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Chaperonin
Authors:Huo, Y, Zhang, K, Hu, Z, Wang, L, Zhai, Y, Zhou, Q, Lander, G, He, Y, Zhu, J, Xu, W, Dong, Z, Sun, F.
Deposit date:2009-11-12
Release date:2010-11-03
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.7 Å)
Cite:Crystal structure of group II chaperonin in the open state.
Structure, 18, 2010
1LUJ
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BU of 1luj by Molmil
Crystal Structure of the Beta-catenin/ICAT Complex
Descriptor: Beta-catenin-interacting protein 1, Catenin beta-1
Authors:Graham, T.A, Clements, W.K, Kimelman, D, Xu, W.
Deposit date:2002-05-22
Release date:2002-10-16
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The crystal structure of the beta-catenin/ICAT complex reveals the inhibitory mechanism of ICAT.
Mol.Cell, 10, 2002
4EFE
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BU of 4efe by Molmil
crystal structure of DNA ligase
Descriptor: BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE, DNA ligase, SULFATE ION, ...
Authors:Wei, Y, Wang, T, Charifson, P, Xu, W.
Deposit date:2012-03-29
Release date:2013-04-03
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:crystal structure of DNA ligase
To be Published
4EFB
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BU of 4efb by Molmil
Crystal structure of DNA ligase
Descriptor: 4-amino-2-(cyclopentyloxy)-6-{[(1R,2S)-2-hydroxycyclopentyl]oxy}pyrimidine-5-carboxamide, BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE, DNA ligase, ...
Authors:Wei, Y, Wang, T, Charifson, P, Xu, W.
Deposit date:2012-03-29
Release date:2013-04-03
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of DNA ligase
To be Published
4FC2
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BU of 4fc2 by Molmil
Crystal structure of mouse poly(ADP-ribose) glycohydrolase (PARG) catalytic domain
Descriptor: Poly(ADP-ribose) glycohydrolase, SULFATE ION
Authors:Wang, Z, Cheng, Z, Xu, W.
Deposit date:2012-05-23
Release date:2012-06-06
Last modified:2018-10-17
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Crystallographic and biochemical analysis of the mouse poly(ADP-ribose) glycohydrolase.
PLoS ONE, 9, 2014
7N7V
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BU of 7n7v by Molmil
Crystal structure of TtnM, a Fe(II)-alpha-ketoglutarate-dependent hydroxylase from the tautomycetin biosynthesis pathway in Streptomyces griseochromogenes at 2 A.
Descriptor: CHLORIDE ION, FE (II) ION, Predicted hydroxylase
Authors:Han, L, Xu, W, Ma, M, Miller, M.D, Shen, B, Phillips Jr, G.N, Enzyme Discovery for Natural Product Biosynthesis (NatPro)
Deposit date:2021-06-11
Release date:2022-07-06
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Structure of TtnM, a Fe(II)-alpha-ketoglutarate-dependent hydroxylase from the tautomycetin biosynthesis pathway in Streptomyces griseochromogenes.
To Be Published

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