Author results

6JKZ
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CRYSTAL STRUCTURE OF VVPLPA FROM VIBRIO VULNIFICUS
Descriptor:Thermolabile hemolysin, CHLORIDE ION, 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE
Authors:Ma, Q., Wan, Y., Liu, C.
Deposit date:2019-03-03
Release date:2019-05-15
Last modified:2019-05-29
Method:X-RAY DIFFRACTION (1.397 Å)
Cite:Structural analysis of a vibrio phospholipase reveals an unusual Ser-His-chloride catalytic triad.
J.Biol.Chem., 2019
6JL0
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CRYSTAL STRUCTURE OF VVPLPA FROM VIBRIO VULNIFICUS
Descriptor:Thermolabile hemolysin, BROMIDE ION
Authors:Ma, Q., Wan, Y., Liu, C.
Deposit date:2019-03-03
Release date:2019-05-15
Last modified:2019-05-29
Method:X-RAY DIFFRACTION (2.073 Å)
Cite:Structural analysis of a vibrio phospholipase reveals an unusual Ser-His-chloride catalytic triad.
J.Biol.Chem., 2019
6JL1
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CRYSTAL STRUCTURE OF VVPLPA G389D FROM VIBRIO VULNIFICUS
Descriptor:Thermolabile hemolysin
Authors:Ma, Q., Wan, Y., Liu, C.
Deposit date:2019-03-03
Release date:2019-05-15
Last modified:2019-05-29
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Structural analysis of a vibrio phospholipase reveals an unusual Ser-His-chloride catalytic triad.
J.Biol.Chem., 2019
6JL2
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CRYSTAL STRUCTURE OF VVPLPA G389N FROM VIBRIO VULNIFICUS
Descriptor:Thermolabile hemolysin, HEXAETHYLENE GLYCOL, 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE
Authors:Ma, Q., Wan, Y., Liu, C.
Deposit date:2019-03-03
Release date:2019-05-15
Last modified:2019-05-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural analysis of a vibrio phospholipase reveals an unusual Ser-His-chloride catalytic triad.
J.Biol.Chem., 2019
3BJC
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CRYSTAL STRUCTURE OF THE PDE5A CATALYTIC DOMAIN IN COMPLEX WITH A NOVEL INHIBITOR
Descriptor:cGMP-specific 3',5'-cyclic phosphodiesterase, ZINC ION, MAGNESIUM ION, ...
Authors:Chen, G., Wang, H., Howard, R., Cai, J., Wan, Y., Ke, H.
Deposit date:2007-12-03
Release date:2008-04-29
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:An insight into the pharmacophores of phosphodiesterase-5 inhibitors from synthetic and crystal structural studies
BIOCHEM.PHARM., 75, 2008
4OJV
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CRYSTAL STRUCTURE OF UNLIGANDED YEAST PDE1
Descriptor:3',5'-cyclic-nucleotide phosphodiesterase 1, SULFATE ION, (4S)-2-METHYL-2,4-PENTANEDIOL, ...
Authors:Tian, Y., Cui, W., Huang, M., Robinson, H., Wan, Y., Wang, Y., Ke, H.
Deposit date:2014-01-21
Release date:2014-12-03
Last modified:2015-07-01
Method:X-RAY DIFFRACTION (1.31 Å)
Cite:Dual specificity and novel structural folding of yeast phosphodiesterase-1 for hydrolysis of second messengers cyclic adenosine and guanosine 3',5'-monophosphate.
Biochemistry, 53, 2014
4OJX
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CRYSTAL STRUCTURE OF YEAST PHOSPHODIESTERASE-1 IN COMPLEX WITH GMP
Descriptor:3',5'-cyclic-nucleotide phosphodiesterase 1, (4S)-2-METHYL-2,4-PENTANEDIOL, GUANOSINE-5'-MONOPHOSPHATE, ...
Authors:Tian, Y., Cui, W., Huang, M., Robinson, H., Wan, Y., Wang, Y., Ke, H.
Deposit date:2014-01-21
Release date:2014-12-03
Last modified:2015-07-01
Method:X-RAY DIFFRACTION (1.31 Å)
Cite:Dual specificity and novel structural folding of yeast phosphodiesterase-1 for hydrolysis of second messengers cyclic adenosine and guanosine 3',5'-monophosphate.
Biochemistry, 53, 2014
5DO2
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COMPLEX STRUCTURE OF MERS-RBD BOUND WITH 4C2 ANTIBODY
Descriptor:S protein, 4C2 heavy chain, 4C2 light chain, ...
Authors:Li, Y., Wan, Y., Liu, P., Zhao, J., Lu, G., Qi, J., Wang, Q., Lu, X., Wu, Y., Liu, W., Yuen, K.Y., Perlman, S., Gao, G.F., Yan, J.
Deposit date:2015-09-10
Release date:2015-10-14
Last modified:2015-11-11
Method:X-RAY DIFFRACTION (2.409 Å)
Cite:A humanized neutralizing antibody against MERS-CoV targeting the receptor-binding domain of the spike protein.
Cell Res., 25, 2015
1YGJ
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CRYSTAL STRUCTURE OF PYRIDOXAL KINASE IN COMPLEX WITH ROSCOVITINE AND DERIVATIVES
Descriptor:Pyridoxal kinase, (2R)-2-({6-[BENZYL(METHYL)AMINO]-9-ISOPROPYL-9H-PURIN-2-YL}AMINO)BUTAN-1-OL
Authors:Tang, L., Li, M.-H., Cao, P., Wang, F., Chang, W.-R., Bach, S., Reinhardt, J., Ferandin, Y., Koken, M., Galons, H., Wan, Y., Gray, N., Meijer, L., Jiang, T., Liang, D.-C.
Deposit date:2005-01-05
Release date:2005-07-05
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structure of pyridoxal kinase in complex with roscovitine and derivatives
J.Biol.Chem., 280, 2005
1YGK
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CRYSTAL STRUCTURE OF PYRIDOXAL KINASE IN COMPLEX WITH ROSCOVITINE AND DERIVATIVES
Descriptor:Pyridoxal kinase, R-ROSCOVITINE
Authors:Tang, L., Li, M.-H., Cao, P., Wang, F., Chang, W.-R., Bach, S., Reinhardt, J., Ferandin, Y., Koken, M., Galons, H., Wan, Y., Gray, N., Meijer, L., Jiang, T., Liang, D.-C.
Deposit date:2005-01-05
Release date:2005-07-05
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of pyridoxal kinase in complex with roscovitine and derivatives
J.Biol.Chem., 280, 2005
1YHJ
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CRYSTAL STRUCTURE OF PYRIDOXAL KINASE IN COMPLEX WITH ROSCOVITINE AND DERIVATIVES
Descriptor:Pyridoxal Kinase, (2R)-2-{[6-(BENZYLOXY)-9-ISOPROPYL-9H-PURIN-2-YL]AMINO}BUTAN-1-OL
Authors:Tang, L., Li, M.-H., Cao, P., Wang, F., Chang, W.-R., Bach, S., Reinhardt, J., Ferandin, Y., Koken, M., Galons, H., Wan, Y., Gray, N., Meijer, L., Jiang, T., Liang, D.-C.
Deposit date:2005-01-09
Release date:2005-07-05
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of pyridoxal kinase in complex with roscovitine and derivatives.
J.Biol.Chem., 280, 2005
2VGP
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CRYSTAL STRUCTURE OF AURORA B KINASE IN COMPLEX WITH A AMINOTHIAZOLE INHIBITOR
Descriptor:SERINE/THREONINE-PROTEIN KINASE 12-A, INNER CENTROMERE PROTEIN A, 4-[(5-bromo-1,3-thiazol-2-yl)amino]-N-methylbenzamide
Authors:Andersen, C.B., Wan, Y., Chang, J.W., Lee, C., Liu, Y., Sessa, F., Villa, F., Nallan, L., Musacchio, A., Gray, N.S.
Deposit date:2007-11-15
Release date:2008-02-26
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Discovery of Selective Aminothiazole Aurora Kinase Inhibitors
Acs Chem.Biol., 3, 2008
6JJ4
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CRYSTAL STRUCTURE OF OSHXK6-APO FORM
Descriptor:Hexokinase-6
Authors:He, C., Wei, P., Chen, J., Wang, H., Wan, Y., Zhou, J., Zhu, Y., Huang, W., Yin, L.
Deposit date:2019-02-25
Release date:2019-07-03
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of OsHXK6-apo
To Be Published
6JJ7
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CRYSTAL STRUCTURE OF OSHXK6-GLC COMPLEX
Descriptor:Rice hexokinase 6, BETA-D-GLUCOSE
Authors:He, C., Wei, P., Chen, J., Wang, H., Wan, Y., Zhou, J., Zhu, Y., Huang, W., Yin, L.
Deposit date:2019-02-25
Release date:2019-07-03
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal structure of OsHXK6-Glc complex
To Be Published
6JJ8
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CRYSTAL STRUCTURE OF OSHXK6-ATP-MG2+ COMPLEX
Descriptor:Rice hexokinase 6, ADENOSINE-5'-DIPHOSPHATE, PHOSPHATE ION, ...
Authors:He, C., Wei, P., Chen, J., Wang, H., Wan, Y., Zhou, J., Zhu, Y., Huang, W., Yin, L.
Deposit date:2019-02-25
Release date:2019-07-03
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of OsHXK6-ATP-Mg2+ complex
To Be Published
6JJ9
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CRYSTAL STRUCTURE OF OSHXK6-GLC-ATP-MG2+ COMPLEX
Descriptor:Hexokinase-6, ADENOSINE-5'-DIPHOSPHATE, PHOSPHATE ION, ...
Authors:He, C., Wei, P., Chen, J., Wang, H., Wan, Y., Zhou, J., Zhu, Y., Huang, W., Yin, L.
Deposit date:2019-02-25
Release date:2019-07-03
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal structure of OsHXK6-Glc-ATP-Mg2+ complex
To Be Published
1ZLT
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CRYSTAL STRUCTURE OF CHK1 COMPLEXED WITH A HYMENALDISINE ANALOG
Descriptor:Serine/threonine-protein kinase Chk1, SULFATE ION, (4Z)-4-(2-AMINO-5-OXO-3,5-DIHYDRO-4H-IMIDAZOL-4-YLIDENE)-2,3-DICHLORO-4,5,6,7-TETRAHYDROPYRROLO[2,3-C]AZEPIN-8(1H)-ONE
Authors:Lee, C.C., Ng, K., Wan, Y., Gray, N., Spraggon, G.
Deposit date:2005-05-09
Release date:2006-06-27
Last modified:2018-02-07
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Crystal Structure of Chk1 Complexed with a Hymenaldisine Analog
To be Published
3V93
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UNLIGANDED STRUCTURE OF TCRPDEC1 CATALYTIC DOMAIN
Descriptor:Cyclic nucleotide specific phosphodiesterase, ZINC ION, MAGNESIUM ION
Authors:Wang, H., Kunz, S., Chen, G., Seebeck, T., Wan, Y., Robinson, H., Martinelli, S., Ke, H.
Deposit date:2011-12-23
Release date:2012-02-22
Last modified:2013-01-09
Method:X-RAY DIFFRACTION (2 Å)
Cite:Biological and structural characterization of Trypanosoma cruzi phosphodiesterase C and Implications for design of parasite selective inhibitors.
J.Biol.Chem., 287, 2012
3V94
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TCRPDEC1 CATALYTIC DOMAIN IN COMPLEX WITH INHIBITOR WYQ16
Descriptor:Cyclic nucleotide specific phosphodiesterase, propan-2-yl {[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)phenyl]sulfonyl}carbamate, ZINC ION, ...
Authors:Wang, H., Kunz, S., Chen, G., Seebeck, T., Wan, Y., Robinson, H., Martinelli, S., Ke, H.
Deposit date:2011-12-23
Release date:2012-02-22
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:TcrPDEC1 catalytic domain in complex with inhibitor wyq16
To be Published
4JGV
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CRYSTAL STRUCTURE OF HUMAN NUR77 LIGAND-BINDING DOMAIN IN COMPLEX WITH THPN
Descriptor:Nuclear receptor subfamily 4 group A member 1, 1-(3,4,5-trihydroxyphenyl)nonan-1-one, GLYCEROL
Authors:Zhang, Q., Li, F., Li, A., Tian, X., Wan, W., Wan, Y., Chen, H., Xing, Y., Wu, Q., Lin, T.
Deposit date:2013-03-04
Release date:2013-12-18
Last modified:2014-03-19
Method:X-RAY DIFFRACTION (3.01 Å)
Cite:Orphan nuclear receptor TR3 acts in autophagic cell death via mitochondrial signaling pathway.
Nat.Chem.Biol., 10, 2014
4QZV
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BAT-DERIVED CORONAVIRUS HKU4 USES MERS-COV RECEPTOR HUMAN CD26 FOR CELL ENTRY
Descriptor:Dipeptidyl peptidase 4, Spike protein S1, N-ACETYL-D-GLUCOSAMINE, ...
Authors:Gao, F.G., Wang, Q.H., Qi, J.X., Lu, G.W.
Deposit date:2014-07-29
Release date:2014-10-29
Method:X-RAY DIFFRACTION (2.592 Å)
Cite:Bat Origins of MERS-CoV Supported by Bat Coronavirus HKU4 Usage of Human Receptor CD26.
Cell Host Microbe, 16, 2014
4Y86
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CRYSTAL STRUCTURE OF PDE9 IN COMPLEX WITH RACEMIC INHIBITOR C33
Descriptor:High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, 6-{[(1S)-1-(4-chlorophenyl)ethyl]amino}-1-cyclopentyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, ZINC ION, ...
Authors:Huang, M.
Deposit date:2015-02-16
Release date:2015-09-16
Last modified:2017-09-20
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Structural Asymmetry of Phosphodiesterase-9A and a Unique Pocket for Selective Binding of a Potent Enantiomeric Inhibitor.
Mol.Pharmacol., 88, 2015
4Y87
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CRYSTAL STRUCTURE OF PHOSPHODIESTERASE 9 IN COMPLEX WITH (R)-C33 (6-{[(1R)-1-(4-CHLOROPHENYL)ETHYL]AMINO}-1-CYCLOPENTYL-1,5-DIHYDRO-4H-PYRAZOLO[3,4-D]PYRIMIDIN-4-ONE)
Descriptor:High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, 6-{[(1R)-1-(4-chlorophenyl)ethyl]amino}-1-cyclopentyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, ZINC ION, ...
Authors:Huang, M.
Deposit date:2015-02-16
Release date:2015-09-16
Last modified:2017-09-20
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural Asymmetry of Phosphodiesterase-9A and a Unique Pocket for Selective Binding of a Potent Enantiomeric Inhibitor.
Mol.Pharmacol., 88, 2015
4Y8C
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CRYSTAL STRUCTURE OF PHOSPHODIESTERASE 9 IN COMPLEX WITH (S)-C33
Descriptor:High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, 6-{[(1S)-1-(4-chlorophenyl)ethyl]amino}-1-cyclopentyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, ZINC ION, ...
Authors:Huang, M.
Deposit date:2015-02-16
Release date:2015-09-16
Last modified:2017-09-06
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural Asymmetry of Phosphodiesterase-9A and a Unique Pocket for Selective Binding of a Potent Enantiomeric Inhibitor.
Mol.Pharmacol., 88, 2015
4QGE
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PHOSPHODIESTERASE-9A IN COMPLEX WITH INHIBITOR WYQ-C36D
Descriptor:Phosphodiesterase 9A, N~2~-(1-cyclopentyl-4-oxo-4,7-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)-N-(4-methoxyphenyl)-D-alaninamide, ZINC ION, ...
Authors:Shao, Y.-X., Huang, M., Cui, W., Ke, H.
Deposit date:2014-05-22
Release date:2014-12-10
Last modified:2015-01-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of a Phosphodiesterase 9A Inhibitor as a Potential Hypoglycemic Agent.
J.Med.Chem., 57, 2014
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