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2OSG
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BU of 2osg by Molmil
Solution Structure and Binding Property of the Domain-swapped Dimer of ZO2PDZ2
Descriptor: Tight junction protein ZO-2
Authors:Wu, J.W, Yang, Y.S, Zhang, J.H, Ji, P, Wu, J.H, Shi, Y.Y.
Deposit date:2007-02-05
Release date:2007-09-25
Last modified:2022-03-16
Method:SOLUTION NMR
Cite:Domain-swapped Dimerization of the Second PDZ Domain of ZO2 May Provide a Structural Basis for the Polymerization of Claudins
J.Biol.Chem., 282, 2007
2FH0
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BU of 2fh0 by Molmil
NMR Ensemble of The Yeast Saccharomyces cerevisiae protein Ymr074cp core region
Descriptor: Hypothetical 16.0 kDa protein in ABF2-CHL12 intergenic region
Authors:Hong, J.J, Zhang, J.H, Wu, J.H, Shi, Y.Y.
Deposit date:2005-12-23
Release date:2007-01-02
Last modified:2022-03-09
Method:SOLUTION NMR
Cite:Solution Structure of Saccharomyces cerevisiae Protein Ymr074cp
To be Published
2JWE
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BU of 2jwe by Molmil
Solution structure of the second PDZ domain from human zonula occludens-1: A dimeric form with 3D domain swapping
Descriptor: Tight junction protein ZO-1
Authors:Ji, P, Wu, J.W, Zhang, J.H, Yang, Y.S, Wu, J.H, Shi, Y.Y.
Deposit date:2007-10-10
Release date:2007-10-30
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Solution structure of the second PDZ domain of Zonula Occludens 1
Proteins, 79, 2011
6K8N
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BU of 6k8n by Molmil
Crystal structure of the Sulfolobus solfataricus topoisomerase III
Descriptor: ZINC ION, topoisomerase III
Authors:Wang, H.Q, Zhang, J.H, Zheng, X, Zheng, Z.F, Dong, Y.H, Huang, L, Gong, Y.
Deposit date:2019-06-13
Release date:2020-06-24
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structures of the Sulfolobus solfataricus topoisomerase III reveal that its C-terminal novel zinc finger part is a unique decatenation domain
To Be Published
6K8O
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BU of 6k8o by Molmil
Crystal structure of the Sulfolobus solfataricus topoisomerase III in complex with DNA
Descriptor: DNA (5'-D(*GP*CP*AP*AP*GP*GP*TP*C)-3'), ZINC ION, topoisomerase III
Authors:Wang, H.Q, Zhang, J.H, Zheng, X, Zheng, Z.F, Dong, Y.H, Huang, L, Gong, Y.
Deposit date:2019-06-13
Release date:2020-06-24
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structures of the Sulfolobus solfataricus topoisomerase III reveal that its C-terminal novel zinc finger part is a unique decatenation domain
To Be Published
7C6O
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BU of 7c6o by Molmil
Catalytic Subunit of Cobaltochelatase from Mycobacterium tuberculosis
Descriptor: Cobalamin biosynthesis protein CobN, GLYCEROL, SODIUM ION
Authors:Zhang, J, Liu, L.
Deposit date:2020-05-22
Release date:2020-12-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.801 Å)
Cite:Crystal structure of the large subunit of cobaltochelatase from Mycobacterium tuberculosis.
Proteins, 89, 2021
5H19
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BU of 5h19 by Molmil
EED in complex with PRC2 allosteric inhibitor EED162
Descriptor: 5-(furan-2-ylmethylamino)-9-(phenylmethyl)-8,10-dihydro-7H-[1,2,4]triazolo[3,4-a][2,7]naphthyridine-6-carbonitrile, Histone-lysine N-methyltransferase EZH2, Polycomb protein EED
Authors:Zhao, K, Zhao, M, Luo, X, Zhang, H.
Deposit date:2016-10-08
Release date:2017-01-25
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery and Molecular Basis of a Diverse Set of Polycomb Repressive Complex 2 Inhibitors Recognition by EED
PLoS ONE, 12, 2017
5H14
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BU of 5h14 by Molmil
EED in complex with an allosteric PRC2 inhibitor EED666
Descriptor: 2-[3-(3,5-dimethylpyrazol-1-yl)-4-nitro-phenyl]-3,4-dihydro-1H-isoquinoline, GLYCEROL, Histone-lysine N-methyltransferase EZH2, ...
Authors:Zhao, K, Zhao, M, Luo, X, Zhang, H.
Deposit date:2016-10-08
Release date:2017-01-25
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery and Molecular Basis of a Diverse Set of Polycomb Repressive Complex 2 Inhibitors Recognition by EED
PLoS ONE, 12, 2017
5H15
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BU of 5h15 by Molmil
EED in complex with PRC2 allosteric inhibitor EED709
Descriptor: (3R,4S)-1-[(2-methoxyphenyl)methyl]-N,N-dimethyl-4-(1-methylindol-3-yl)pyrrolidin-3-amine, Histone-lysine N-methyltransferase EZH2, Polycomb protein EED
Authors:Zhao, K, Zhao, M, Luo, X, Zhang, H.
Deposit date:2016-10-08
Release date:2017-01-25
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Discovery and Molecular Basis of a Diverse Set of Polycomb Repressive Complex 2 Inhibitors Recognition by EED
PLoS ONE, 12, 2017
5H13
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BU of 5h13 by Molmil
EED in complex with PRC2 allosteric inhibitor EED396
Descriptor: 4-azanylidene-2-(3-methoxy-4-propan-2-yloxy-phenyl)-6,7-dihydro-[1,3]benzodioxolo[6,5-a]quinolizine-3-carbonitrile, GLYCEROL, PRASEODYMIUM ION, ...
Authors:Zhao, K, Zhao, M, Luo, X, Zhang, H.
Deposit date:2016-10-08
Release date:2017-01-25
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery and Molecular Basis of a Diverse Set of Polycomb Repressive Complex 2 Inhibitors Recognition by EED
PLoS ONE, 12, 2017
5H17
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BU of 5h17 by Molmil
EED in complex with PRC2 allosteric inhibitor EED210
Descriptor: (3R,4aS,10aS)-6-methoxy-3-[(3-methoxyphenyl)methyl]-1-methyl-3,4,4a,5,10,10a-hexahydro-2H-benzo[g]quinoline, Histone-lysine N-methyltransferase EZH2, Polycomb protein EED
Authors:Zhao, K, Zhao, M, Luo, X, Zhang, H.
Deposit date:2016-10-08
Release date:2017-01-25
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery and Molecular Basis of a Diverse Set of Polycomb Repressive Complex 2 Inhibitors Recognition by EED
PLoS ONE, 12, 2017
3BW3
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BU of 3bw3 by Molmil
Crystal structures and site-directed mutagenesis study of nitroalkane oxidase from Streptomyces ansochromogenes
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-nitropropane dioxygenase, FLAVIN MONONUCLEOTIDE, ...
Authors:Li, Y.H, Gao, Z.Q, Hou, H.F.
Deposit date:2008-01-08
Release date:2009-01-13
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure and site-directed mutagenesis of a nitroalkane oxidase from Streptomyces ansochromogenes
Biochem.Biophys.Res.Commun., 405, 2011
3BW2
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BU of 3bw2 by Molmil
Crystal structures and site-directed mutagenesis study of nitroalkane oxidase from Streptomyces ansochromogenes
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-nitropropane dioxygenase, FLAVIN MONONUCLEOTIDE
Authors:Li, Y.H, Gao, Z.Q, Hou, H.F.
Deposit date:2008-01-08
Release date:2009-01-13
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure and site-directed mutagenesis of a nitroalkane oxidase from Streptomyces ansochromogenes
Biochem.Biophys.Res.Commun., 405, 2011
8I0D
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BU of 8i0d by Molmil
Sb3GT1 375S/Q377H mutant complex with UDP-Glc
Descriptor: Glycosyltransferase, URIDINE-5'-DIPHOSPHATE-GLUCOSE
Authors:Wang, H.T, Wang, Z.L, Ye, M.
Deposit date:2023-01-10
Release date:2023-09-20
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Insights into the missing apiosylation step in flavonoid apiosides biosynthesis of Leguminosae plants.
Nat Commun, 14, 2023
8HZZ
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BU of 8hzz by Molmil
GuApiGT (UGT79B74)
Descriptor: SULFATE ION, apiosyltransferase
Authors:Wang, H.T, Wang, Z.L, Li, F.D, Ye, M.
Deposit date:2023-01-10
Release date:2023-09-20
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Insights into the missing apiosylation step in flavonoid apiosides biosynthesis of Leguminosae plants.
Nat Commun, 14, 2023
8I0E
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BU of 8i0e by Molmil
Sb3GT1 complex with UDP
Descriptor: Glycosyltransferase, URIDINE-5'-DIPHOSPHATE
Authors:Wang, H.T, Wang, Z.L, Ye, M.
Deposit date:2023-01-10
Release date:2023-09-20
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Insights into the missing apiosylation step in flavonoid apiosides biosynthesis of Leguminosae plants.
Nat Commun, 14, 2023
5ZOR
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BU of 5zor by Molmil
Solution structure of centrin4 from Trypanosoma brucei
Descriptor: Centrin, putative
Authors:Shan, F.Z, Tu, X.M.
Deposit date:2018-04-15
Release date:2019-03-13
Method:SOLUTION NMR
Cite:Solution structure of TbCentrin4 fromTrypanosoma bruceiand its interactions with Ca2+and other centrins.
Biochem. J., 475, 2018
5DRB
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BU of 5drb by Molmil
Crystal structure of WNK1 in complex with WNK463
Descriptor: N-tert-butyl-1-(1-{5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]pyridin-2-yl}piperidin-4-yl)-1H-imidazole-5-carboxamide, Serine/threonine-protein kinase WNK1
Authors:Kohls, D, Xie, X.
Deposit date:2015-09-15
Release date:2016-09-07
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Small-molecule WNK inhibition regulates cardiovascular and renal function.
Nat.Chem.Biol., 12, 2016
5EHR
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BU of 5ehr by Molmil
Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitor SHP099
Descriptor: 6-(4-azanyl-4-methyl-piperidin-1-yl)-3-[2,3-bis(chloranyl)phenyl]pyrazin-2-amine, PHOSPHATE ION, Tyrosine-protein phosphatase non-receptor type 11
Authors:Stams, T, Fodor, M.
Deposit date:2015-10-28
Release date:2016-06-29
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Allosteric inhibition of SHP2 phosphatase inhibits cancers driven by receptor tyrosine kinases.
Nature, 535, 2016
5EHP
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BU of 5ehp by Molmil
Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitor SHP836
Descriptor: 5-[2,3-bis(chloranyl)phenyl]-2-[(3~{R},5~{S})-3,5-dimethylpiperazin-1-yl]pyrimidin-4-amine, PHOSPHATE ION, Tyrosine-protein phosphatase non-receptor type 11
Authors:Stams, T, Fodor, M.
Deposit date:2015-10-28
Release date:2016-07-06
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Allosteric Inhibition of SHP2: Identification of a Potent, Selective, and Orally Efficacious Phosphatase Inhibitor.
J.Med.Chem., 59, 2016
7JVN
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BU of 7jvn by Molmil
Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitor Compound 24
Descriptor: 6-(4-amino-4-methylpiperidin-1-yl)-3-[(2,3-dichlorophenyl)sulfanyl]pyrazin-2-amine, PHOSPHATE ION, Tyrosine-protein phosphatase non-receptor type 11
Authors:Fodor, M, Stams, T.
Deposit date:2020-08-21
Release date:2020-09-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.917 Å)
Cite:Identification of TNO155, an Allosteric SHP2 Inhibitor for the Treatment of Cancer.
J.Med.Chem., 63, 2020
7JVM
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BU of 7jvm by Molmil
Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitor TNO155
Descriptor: (3S,4S)-8-{6-amino-5-[(2-amino-3-chloropyridin-4-yl)sulfanyl]pyrazin-2-yl}-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine, PHOSPHATE ION, Tyrosine-protein phosphatase non-receptor type 11
Authors:Fodor, M, Stams, T.
Deposit date:2020-08-21
Release date:2020-09-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.166 Å)
Cite:Identification of TNO155, an Allosteric SHP2 Inhibitor for the Treatment of Cancer.
J.Med.Chem., 63, 2020
5ZEW
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BU of 5zew by Molmil
A ubiquitin-like protein from the hyperthermophilic archaea Caldiarchaeum subterraneum
Descriptor: Ubiquitin-like protein
Authors:Mi, J, Ye, K.Q.
Deposit date:2018-02-28
Release date:2019-02-27
Method:SOLUTION NMR
Cite:The hydrophobic effect and electrostatic interactions contribute to the thermostability of the ubiquitin-like protein from the hyperthermophilic archaea Caldiarchaeum subterraneum
To Be Published
5TF9
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BU of 5tf9 by Molmil
Crystal structure of WNK1 in complex with Mn2+AMPPNP and WNK476
Descriptor: CALCIUM ION, MANGANESE (II) ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Xie, X, Gunawan, J.
Deposit date:2016-09-24
Release date:2016-10-19
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Discovery and Characterization of Allosteric WNK Kinase Inhibitors.
ACS Chem. Biol., 11, 2016
5Y4B
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BU of 5y4b by Molmil
Solution structure of yeast Fra2
Descriptor: BolA-like protein 2
Authors:Tang, Y.J, Chi, C.B, Zhang, J.H, Dai, Y.N, Abdalla, M, Chen, Y.X, Zhou, C.Z.
Deposit date:2017-08-03
Release date:2018-03-28
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Structural and Biochemical Insights into the Multiple Functions of Yeast Grx3.
J. Mol. Biol., 430, 2018

 

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