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4DSA
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CRYSTAL STRUCTURE OF DPP-IV WITH COMPOUND C1
Descriptor:Dipeptidyl peptidase 4, 4-[({[(2R)-2-amino-3-(2,4,5-trifluorophenyl)propyl]sulfamoyl}amino)methyl]benzenesulfonamide
Authors:Xiong, B., Zhu, L.R., Chen, D.Q., Zhao, Y.L., Jiang, F., Shen, J.K.
Deposit date:2012-02-18
Release date:2013-02-27
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:Crystal Structure of DPP-IV with Compound C1
To be Published
4DSZ
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CRYSTAL STRUCTURE OF DPP-IV WITH COMPOUND C2
Descriptor:Dipeptidyl peptidase 4, (2R)-4-[4-(3-methylphenyl)-1H-1,2,3-triazol-1-yl]-1-(2,4,5-trifluorophenyl)butan-2-amine
Authors:Xiong, B., Zhu, L.R., Chen, D.Q., Zhao, Y.L., Jiang, F., Shen, J.K.
Deposit date:2012-02-20
Release date:2013-02-27
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Crystal Structure of DPP-IV with Compound C2
To be Published
4DTC
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CRYSTAL STRUCTURE OF DPP-IV WITH COMPOUND C5
Descriptor:Dipeptidyl peptidase 4, N-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butyl]-3'-(trifluoromethyl)biphenyl-4-carboxamide
Authors:Xiong, B., Zhu, L.R., Chen, D.Q., Zhao, Y.L., Jiang, F., Shen, J.K.
Deposit date:2012-02-21
Release date:2013-02-27
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal Structure of DPP-IV with Compound C5
To be Published
4L1B
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CRYSTAL STRUCTURE OF P110ALPHA COMPLEXED WITH NISH2 OF P85ALPHA
Descriptor:Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, Phosphatidylinositol 3-kinase regulatory subunit alpha, SULFATE ION
Authors:Zhang, J., Zhao, Y.L., Chen, Y.Y., Huang, M., Jiang, F.
Deposit date:2013-06-03
Release date:2014-01-01
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.586 Å)
Cite:Crystal Structures of PI3K alpha Complexed with PI103 and Its Derivatives: New Directions for Inhibitors Design.
ACS Med Chem Lett, 5, 2014
4L23
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CRYSTAL STRUCTURE OF P110ALPHA COMPLEXED WITH NISH2 OF P85ALPHA AND PI-103
Descriptor:Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, Phosphatidylinositol 3-kinase regulatory subunit alpha, 3-(4-MORPHOLIN-4-YLPYRIDO[3',2':4,5]FURO[3,2-D]PYRIMIDIN-2-YL)PHENOL, ...
Authors:Zhang, J., Zhao, Y.L., Chen, Y.Y., Huang, M., Jiang, F.
Deposit date:2013-06-04
Release date:2014-01-01
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.501 Å)
Cite:Crystal Structures of PI3K alpha Complexed with PI103 and Its Derivatives: New Directions for Inhibitors Design.
ACS Med Chem Lett, 5, 2014
4L2Y
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CRYSTAL STRUCTURE OF P110ALPHA COMPLEXED WITH NISH2 OF P85ALPHA AND COMPOUND 9D
Descriptor:Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, Phosphatidylinositol 3-kinase regulatory subunit alpha, 3-amino-5-[4-(morpholin-4-yl)pyrido[3',2':4,5]furo[3,2-d]pyrimidin-2-yl]phenol, ...
Authors:Zhang, J., Zhao, Y.L., Chen, Y.Y., Huang, M., Jiang, F.
Deposit date:2013-06-05
Release date:2014-01-01
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal Structures of PI3K alpha Complexed with PI103 and Its Derivatives: New Directions for Inhibitors Design.
ACS Med Chem Lett, 5, 2014
4FQ5
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CRYSTAL STRUCTURE OF THE MALEATE ISOMERASE ISO(C200A) FROM PSEUDOMONAS PUTIDA S16 WITH MALEATE
Descriptor:Maleate cis-trans isomerase, MALEIC ACID
Authors:Lu, Y., Chen, D., Zhang, Z., Li, Q., Wu, G., Xu, P.
Deposit date:2012-06-25
Release date:2013-07-24
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural and computational studies of the maleate isomerase from Pseudomonas putida S16 reveal a breathing motion wrapping the substrate inside.
Mol.Microbiol., 87, 2013
4FQ7
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CRYSTAL STRUCTURE OF THE MALEATE ISOMERASE ISO FROM PSEUDOMONAS PUTIDA S16
Descriptor:Maleate cis-trans isomerase
Authors:Lu, Y., Chen, D., Zhang, Z., Li, Q., Wu, G., Xu, P.
Deposit date:2012-06-25
Release date:2013-07-24
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural and computational studies of the maleate isomerase from Pseudomonas putida S16 reveal a breathing motion wrapping the substrate inside.
Mol.Microbiol., 87, 2013
4J3J
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CRYSTAL STRUCTURE OF DPP-IV WITH COMPOUND C3
Descriptor:Dipeptidyl peptidase 4, N-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butyl]-6-(trifluoromethyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-2(1H)-carboxamide
Authors:Xiong, B., Zhu, L.R., Chen, D.Q., Zhao, Y.L., Jiang, F., Shen, J.K.
Deposit date:2013-02-05
Release date:2014-02-05
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Design and synthesis of 4-(2,4,5-trifluorophenyl)butane-1,3-diamines as dipeptidyl peptidase IV inhibitors
Chemmedchem, 8, 2013
4L07
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CRYSTAL STRUCTURE OF THE MALEAMATE AMIDASE AMI FROM PSEUDOMONAS PUTIDA S16
Descriptor:Hydrolase, isochorismatase family, SULFATE ION, ...
Authors:Chen, D.D., Lu, Y., Zhang, Z., Wu, G., Xu, P.
Deposit date:2013-05-30
Release date:2014-07-16
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural insights into the specific recognition of N-heterocycle biodenitrogenation-derived substrates by microbial amide hydrolases.
Mol.Microbiol., 91, 2014
4L08
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CRYSTAL STRUCTURE OF THE MALEAMATE AMIDASE AMI(C149A) IN COMPLEX WITH MALEATE FROM PSEUDOMONAS PUTIDA S16
Descriptor:Hydrolase, isochorismatase family, MALEIC ACID
Authors:Chen, D.D., Lu, Y., Zhang, Z., Wu, G., Xu, P.
Deposit date:2013-05-31
Release date:2014-07-16
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.66 Å)
Cite:Structural insights into the specific recognition of N-heterocycle biodenitrogenation-derived substrates by microbial amide hydrolases.
Mol.Microbiol., 91, 2014
5Z2X
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STRUCTURE OF ALCOHOL DEHYDROGENASE FROM KLUYVEROMYCES POLYSPORA(KPADH)
Descriptor:Alcohol dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, DI(HYDROXYETHYL)ETHER, ...
Authors:Wang, Y., Zhou, J.Y., Hou, X.D., Xu, G.C., Wu, L., Rao, Y.J., ZHou, J.H., Ni, Y.
Deposit date:2018-01-04
Release date:2019-01-02
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Structural Insight into Enantioselective Inversion of an Alcohol Dehydrogenase Reveals a "Polar Gate" in Stereorecognition of Diaryl Ketones.
J. Am. Chem. Soc., 140, 2018
5ZEC
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CRYSTAL STRUCTURE OF KLUYVEROMYCES POLYSPORA ADH (KPADH) MUTANT (Q136N/F161V/S196G/E214G/S237C)
Descriptor:Uncharacterized protein ADH, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 1,2-ETHANEDIOL, ...
Authors:Wang, Y., ZHou, J.Y., Hou, X.D., Xu, G.C., Rao, Y.J., Wu, L., Zhou, J.H., Ni, Y.
Deposit date:2018-02-27
Release date:2019-01-02
Method:X-RAY DIFFRACTION (1.779 Å)
Cite:Structural Insight into Enantioselective Inversion of an Alcohol Dehydrogenase Reveals a "Polar Gate" in Stereorecognition of Diaryl Ketones.
J. Am. Chem. Soc., 140, 2018
5ZED
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CRYSTAL STRUCTURE OF KLUYVEROMYCES POLYSPORA ADH (KPADH) MUTANT (E214V/T215S)
Descriptor:Uncharacterized protein ADH, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Wang, Y., Zhou, J.Y., Hou, X.D., Xu, G.C., Wu, L., Rao, Y.J., ZHou, J.H., Ni, Y.
Deposit date:2018-02-27
Release date:2019-01-02
Method:X-RAY DIFFRACTION (2.199 Å)
Cite:Structural Insight into Enantioselective Inversion of an Alcohol Dehydrogenase Reveals a "Polar Gate" in Stereorecognition of Diaryl Ketones.
J. Am. Chem. Soc., 140, 2018