Author results

4E7B
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E. CLOACAE MURA IN COMPLEX WITH UDP-GLUCOSE
Descriptor:UDP-N-acetylglucosamine 1-carboxyvinyltransferase, 1,2-ETHANEDIOL, ACETATE ION, ...
Authors:Zhu, J.-Y., Yang, Y., Schonbrunn, E.
Deposit date:2012-03-16
Release date:2013-03-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Open-close transition of MurA
To be Published
4E7C
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E. CLOACAE MURA IN COMPLEX WITH UTP
Descriptor:UDP-N-acetylglucosamine 1-carboxyvinyltransferase, 1,2-ETHANEDIOL, ACETATE ION, ...
Authors:Zhu, J.-Y., Yang, Y., Schonbrunn, E.
Deposit date:2012-03-16
Release date:2013-03-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Open-close transition of MurA
To be Published
4E7D
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E. CLOACAE MURA IN COMPLEX WITH UDP
Descriptor:UDP-N-acetylglucosamine 1-carboxyvinyltransferase, 1,2-ETHANEDIOL, URIDINE-5'-DIPHOSPHATE, ...
Authors:Zhu, J.-Y., Yang, Y., Schonbrunn, E.
Deposit date:2012-03-16
Release date:2013-03-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Open-close transition of MurA
To be Published
4E7E
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E. CLOACAE C115D MURA IN COMPLEX WITH UDP-GLUCOSE
Descriptor:UDP-N-acetylglucosamine 1-carboxyvinyltransferase, 1,2-ETHANEDIOL, ACETATE ION, ...
Authors:Zhu, J.-Y., Yang, Y., Schonbrunn, E.
Deposit date:2012-03-16
Release date:2013-03-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Open-close transition of MurA
To be Published
4E7F
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E. CLOACAE C115D MURA IN COMPLEX WITH UDP
Descriptor:UDP-N-acetylglucosamine 1-carboxyvinyltransferase, 1,2-ETHANEDIOL, URIDINE-5'-DIPHOSPHATE, ...
Authors:Zhu, J.-Y., Betzi, S., Yang, Y., Schonbrunn, E.
Deposit date:2012-03-16
Release date:2013-03-20
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Open-close transition of MurA
To be Published
4E7G
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E. CLOACAE C115D/R120A MURA IN THE UNLIGANDED STATE
Descriptor:UDP-N-acetylglucosamine 1-carboxyvinyltransferase, DI(HYDROXYETHYL)ETHER, 1,2-ETHANEDIOL, ...
Authors:Zhu, J.-Y., Yang, Y., Schonbrunn, E.
Deposit date:2012-03-16
Release date:2013-03-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Open-close transition of MurA
To be Published
5VD4
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CRYSTAL STRUCTURE OF HUMAN WEE1 KINASE DOMAIN IN COMPLEX WITH RAC-IV-016, A MK1775 ANALOUGUE
Descriptor:Wee1-like protein kinase, 6-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-2-(prop-2-en-1-yl)-1-{6-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]pyridin-2-yl}-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one, PHOSPHATE ION, ...
Authors:Zhu, J.-Y., Schonbrunn, E.
Deposit date:2017-04-01
Release date:2018-04-04
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Structural basis of Wee family kinase inhibition by small molecules
to be published
5VD5
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CRYSTAL STRUCTURE OF HUMAN WEE1 KINASE DOMAIN IN COMPLEX WITH RAC-IV-050, A MK1775 ANALOUGUE
Descriptor:Wee1-like protein kinase, 1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-6-{[4-(morpholin-4-yl)phenyl]amino}-2-(prop-2-en-1-yl)-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one, CHLORIDE ION
Authors:Zhu, J.-Y., Schonbrunn, E.
Deposit date:2017-04-01
Release date:2018-04-04
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural basis of Wee family kinase inhibition by small molecules
to be published
5VD7
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CRYSTAL STRUCTURE OF HUMAN WEE1 KINASE DOMAIN IN COMPLEX WITH RAC-IV-098, A MK1775 ANALOGUE
Descriptor:Wee1-like protein kinase, 6-{[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]amino}-1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-2-(prop-2-en-1-yl)-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one, CHLORIDE ION, ...
Authors:Zhu, J.-Y., Schonbrunn, E.
Deposit date:2017-04-01
Release date:2018-04-04
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Structural basis of Wee family kinase inhibition by small molecules
to be published
5VD8
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CRYSTAL STRUCTURE OF HUMAN WEE1 KINASE DOMAIN IN COMPLEX WITH RAC-IV-099, A MK1775 ANALOGUE
Descriptor:Wee1-like protein kinase, 6-{[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]amino}-1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-2-(prop-2-en-1-yl)-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one, CHLORIDE ION, ...
Authors:Zhu, J.-Y., Schonbrunn, E.
Deposit date:2017-04-01
Release date:2018-04-04
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural basis of Wee family kinase inhibition by small molecules
to be published
5VD9
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CRYSTAL STRUCTURE OF HUMAN WEE1 KINASE DOMAIN IN COMPLEX WITH RAC-IV-097, A MK1775 ANALOGUE
Descriptor:Wee1-like protein kinase, 1-{6-[(1R)-1-hydroxyethyl]pyridin-2-yl}-6-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-2-(prop-2-en-1-yl)-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one, CHLORIDE ION, ...
Authors:Zhu, J.-Y., Schonbrunn, E.
Deposit date:2017-04-01
Release date:2018-04-04
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Structural basis of Wee family kinase inhibition by small molecules
to be published
5VDA
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CRYSTAL STRUCTURE OF HUMAN WEE1 KINASE DOMAIN IN COMPLEX WITH RAC-IV-101, A MK1775 ANALOGUE
Descriptor:Wee1-like protein kinase, 1-{6-[(1S)-1-hydroxyethyl]pyridin-2-yl}-6-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-2-(prop-2-en-1-yl)-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one, CHLORIDE ION, ...
Authors:Zhu, J.-Y., Schonbrunn, E.
Deposit date:2017-04-01
Release date:2018-04-04
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural basis of Wee family kinase inhibition by small molecules
to be published
4EII
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UNLIGANDED E. CLOACAE R91K MURA
Descriptor:UDP-N-acetylglucosamine 1-carboxyvinyltransferase, GLYCEROL, 1,2-ETHANEDIOL, ...
Authors:Han, H., Zhu, J.-Y., Schonbrunn, E.
Deposit date:2012-04-05
Release date:2013-04-10
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Open-close transition of MurA
To be Published
5VBO
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CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH LRRK2-IN-1
Descriptor:Bromodomain-containing protein 4, 2-[(2-methoxy-4-{[4-(4-methylpiperazin-1-yl)piperidin-1-yl]carbonyl}phenyl)amino]-5,11-dimethyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one, CHLORIDE ION, ...
Authors:ZHU, J.-Y., SCHONBRUNN, E.
Deposit date:2017-03-30
Release date:2018-04-04
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Potent Dual Brd-PLK1 inhibitors
to be published
5V67
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CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH VOLASERTIB
Descriptor:Bromodomain-containing protein 4, N-{trans-4-[4-(cyclopropylmethyl)piperazin-1-yl]cyclohexyl}-4-{[(7R)-7-ethyl-5-methyl-8-(1-methylethyl)-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxybenzamide, ethane-1,2-diol, ...
Authors:EMBER, S.W., ZHU, J.-Y., SCHONBRUNN, E.
Deposit date:2017-03-16
Release date:2018-03-28
Last modified:2018-04-11
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Dual PLK1-BET bromodomain inhibitors
to be published
5VBP
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CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH RO3280
Descriptor:Bromodomain-containing protein 4, 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ...
Authors:EMBER, S.W., ZHU, J.-Y., SCHONBRUNN, E.
Deposit date:2017-03-30
Release date:2018-04-04
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Dual brd-PLK1 inhibitors
to be published
5VBQ
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CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRDT IN COMPLEX WITH BI2536
Descriptor:Bromodomain testis-specific protein, 4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide, CHLORIDE ION, ...
Authors:EMBER, S.W., ZHU, J.-Y., SCHONBRUNN, E.
Deposit date:2017-03-30
Release date:2018-04-04
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Dual Brd-PLK1 inhibitors
to be published
5VBR
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CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRDT IN COMPLEX WITH VOLASERTIB
Descriptor:Bromodomain testis-specific protein, N-{trans-4-[4-(cyclopropylmethyl)piperazin-1-yl]cyclohexyl}-4-{[(7R)-7-ethyl-5-methyl-8-(1-methylethyl)-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxybenzamide, ethane-1,2-diol, ...
Authors:EMBER, S.W., ZHU, J.-Y., SCHONBRUNN, E.
Deposit date:2017-03-30
Release date:2018-04-04
Last modified:2018-04-11
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Dual Brd-PLK1 INHIBITORS
to be published
3O3K
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CRYSTAL STRUCTURE OF AF1382 FROM ARCHAEOGLOBUS FULGIDUS
Descriptor:Uncharacterized protein AF_1382
Authors:Zhu, J.-Y., Zhao, M., Fu, Z.-Q., Yang, H., Chang, J., Xu, H., Chen, L., Rose, J.P., Wang, B.C., Southeast Collaboratory for Structural Genomics (SECSG)
Deposit date:2010-07-24
Release date:2010-08-04
Last modified:2012-09-19
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of the Archaeoglobus fulgidus orphan ORF AF1382 determined by sulfur SAD from a moderately diffracting crystal.
Acta Crystallogr.,Sect.D, 68, 2012
3OV8
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CRYSTAL STRUCTURE OF AF1382 FROM ARCHAEOGLOBUS FULGIDUS, HIGH RESOLUTION
Descriptor:Protein AF_1382, ACETATE ION, CHLORIDE ION
Authors:Zhu, J.-Y., Zhao, M., Fu, Z.-Q., Yang, H., Chang, J., Hao, X., Chen, L., Rose, J.P., Wang, B.C., Southeast Collaboratory for Structural Genomics (SECSG)
Deposit date:2010-09-16
Release date:2011-11-16
Last modified:2012-09-19
Method:X-RAY DIFFRACTION (1.8501 Å)
Cite:Structure of the Archaeoglobus fulgidus orphan ORF AF1382 determined by sulfur SAD from a moderately diffracting crystal.
Acta Crystallogr.,Sect.D, 68, 2012
3SPB
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UNLIGANDED E. CLOACAE MURA
Descriptor:UDP-N-acetylglucosamine 1-carboxyvinyltransferase
Authors:Zhu, J.-Y., Yang, Y., Schonbrunn, E.
Deposit date:2011-07-01
Release date:2012-03-07
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Functional Consequence of Covalent Reaction of Phosphoenolpyruvate with UDP-N-acetylglucosamine 1-Carboxyvinyltransferase (MurA).
J.Biol.Chem., 287, 2012
3SU9
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E. CLOACAE MURA IN COMPLEX WITH UDP-N-ACETYLMURAMIC ACID AND COVALENT ADDUCT OF PEP WITH CYS115
Descriptor:UDP-N-acetylglucosamine 1-carboxyvinyltransferase, 1,2-ETHANEDIOL, ACETATE ION, ...
Authors:Zhu, J.-Y., Yang, Y., Schonbrunn, E.
Deposit date:2011-07-11
Release date:2012-03-07
Last modified:2012-05-02
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Functional Consequence of Covalent Reaction of Phosphoenolpyruvate with UDP-N-acetylglucosamine 1-Carboxyvinyltransferase (MurA).
J.Biol.Chem., 287, 2012
3SWD
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E. COLI MURA IN COMPLEX WITH UDP-N-ACETYLMURAMIC ACID AND COVALENT ADDUCT OF PEP WITH CYS115
Descriptor:UDP-N-acetylglucosamine 1-carboxyvinyltransferase, (2R)-2-{[(2R,3R,4R,5S,6R)-3-(acetylamino)-2-{[(S)-{[(R)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-5-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl]oxy}propanoic acid
Authors:Zhu, J.-Y., Schonbrunn, E.
Deposit date:2011-07-13
Release date:2012-03-14
Last modified:2012-05-02
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Functional Consequence of Covalent Reaction of Phosphoenolpyruvate with UDP-N-acetylglucosamine 1-Carboxyvinyltransferase (MurA).
J.Biol.Chem., 287, 2012
3SWE
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HAEMOPHILUS INFLUENZAE MURA IN COMPLEX WITH UDP-N-ACETYLMURAMIC ACID AND COVALENT ADDUCT OF PEP WITH CYS117
Descriptor:UDP-N-acetylglucosamine 1-carboxyvinyltransferase, SULFATE ION, GLYCEROL, ...
Authors:Zhu, J.-Y., Schonbrunn, E.
Deposit date:2011-07-13
Release date:2012-03-14
Last modified:2012-05-02
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Functional Consequence of Covalent Reaction of Phosphoenolpyruvate with UDP-N-acetylglucosamine 1-Carboxyvinyltransferase (MurA).
J.Biol.Chem., 287, 2012
3SWG
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AQUIFEX AEOLICUS MURA IN COMPLEX WITH UDP-N-ACETYLMURAMIC ACID AND COVALENT ADDUCT OF PEP WITH CYS124
Descriptor:UDP-N-acetylglucosamine 1-carboxyvinyltransferase, TETRAETHYLENE GLYCOL, TRIETHYLENE GLYCOL, ...
Authors:Zhu, J.-Y., Schonbrunn, E.
Deposit date:2011-07-13
Release date:2012-03-14
Last modified:2012-05-02
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Functional Consequence of Covalent Reaction of Phosphoenolpyruvate with UDP-N-acetylglucosamine 1-Carboxyvinyltransferase (MurA).
J.Biol.Chem., 287, 2012