Author results

2IIT
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HUMAN DIPEPTIDYL PEPTIDASE 4 IN COMPLEX WITH A DIAZEPAN-2-ONE INHIBITOR
Descriptor:Dipeptidyl peptidase 4 soluble form, N-ACETYL-D-GLUCOSAMINE, 2-(ACETYLAMINO)-2-DEOXY-A-D-GLUCOPYRANOSE, ...
Authors:Scapin, G., Biftu, T., Weber, A.E.
Deposit date:2006-09-28
Release date:2006-11-28
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:(3R)-4-[(3R)-3-Amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(2,2,2-trifluoroethyl)-1,4-diazepan-2-one, a selective dipeptidyl peptidase IV inhibitor for the treatment of type 2 diabetes
Bioorg.Med.Chem.Lett., 17, 2007
2IIV
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HUMAN DIPEPTIDYL PEPTIDASE 4 IN COMPLEX WITH A DIAZEPAN-2-ONE INHIBITOR
Descriptor:Dipeptidyl peptidase 4 soluble form, N-ACETYL-D-GLUCOSAMINE, (3R)-4-[(3R)-3-AMINO-4-(2,4,5-TRIFLUOROPHENYL)BUTANOYL]-3-METHYL-1,4-DIAZEPAN-2-ONE
Authors:Scapin, G., Weber, A.E., Biftu, T.
Deposit date:2006-09-28
Release date:2006-11-28
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:(3R)-4-[(3R)-3-Amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(2,2,2-trifluoroethyl)-1,4-diazepan-2-one, a selective dipeptidyl peptidase IV inhibitor for the treatment of type 2 diabetes
Bioorg.Med.Chem.Lett., 17, 2007
2OPH
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HUMAN DIPEPTIDYL PEPTIDASE IV IN COMPLEX WITH AN ALPHA AMINO ACID INHIBITOR
Descriptor:Dipeptidyl peptidase 4 soluble form, N-ACETYL-D-GLUCOSAMINE, 2-(ACETYLAMINO)-2-DEOXY-A-D-GLUCOPYRANOSE, ...
Authors:Scapin, G., Weber, A.E., Duffy, J.L.
Deposit date:2007-01-29
Release date:2007-05-08
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:4-Aminophenylalanine and 4-aminocyclohexylalanine derivatives as potent, selective, and orally bioavailable inhibitors of dipeptidyl peptidase IV.
Bioorg.Med.Chem.Lett., 17, 2007
3C43
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HUMAN DIPEPTIDYL PEPTIDASE IV/CD26 IN COMPLEX WITH A FLOUROOLEFIN INHIBITOR
Descriptor:Dipeptidyl peptidase 4, N-ACETYL-D-GLUCOSAMINE, 2-(ACETYLAMINO)-2-DEOXY-A-D-GLUCOPYRANOSE, ...
Authors:Scapin, G., Edmondson, S.D., Weber, A.E.
Deposit date:2008-01-29
Release date:2008-04-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Fluoroolefins as amide bond mimics in dipeptidyl peptidase IV inhibitors
Bioorg.Med.Chem.Lett., 18, 2008
3C45
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HUMAN DIPEPTIDYL PEPTIDASE IV/CD26 IN COMPLEX WITH A FLUOROOLEFIN INHIBITOR
Descriptor:Dipeptidyl peptidase 4, N-ACETYL-D-GLUCOSAMINE, 2-(ACETYLAMINO)-2-DEOXY-A-D-GLUCOPYRANOSE, ...
Authors:Scapin, G., Edmondson, S.D., Weber, A.E.
Deposit date:2008-01-29
Release date:2008-04-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Fluoroolefins as amide bond mimics in dipeptidyl peptidase IV inhibitors
Bioorg.Med.Chem.Lett., 18, 2008
1X70
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HUMAN DIPEPTIDYL PEPTIDASE IV IN COMPLEX WITH A BETA AMINO ACID INHIBITOR
Descriptor:Dipeptidyl peptidase IV, N-ACETYL-D-GLUCOSAMINE, 2-(ACETYLAMINO)-2-DEOXY-A-D-GLUCOPYRANOSE, ...
Authors:Kim, D., Wang, L., Beconi, M., Eiermann, G.J., Fisher, M.H., He, H., Hickey, G.J., Leiting, B., Lyons, K.
Deposit date:2004-08-12
Release date:2005-01-18
Last modified:2012-06-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:(2R)-4-Oxo-4-[3-(Trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin- 7(8H)-yl]-1-(2,4,5-trifluorophenyl)butan-2-amine: A Potent, Orally Active Dipeptidyl Peptidase IV Inhibitor for the Treatment of Type 2 Diabetes
J.Med.Chem., 48, 2005
2FJP
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HUMAN DIPEPTIDYL PEPTIDASE IV/CD26 IN COMPLEX WITH AN INHIBITOR
Descriptor:Dipeptidyl peptidase 4, N-ACETYL-D-GLUCOSAMINE, 6-(4-{(1S,2S)-2-AMINO-1-[(DIMETHYLAMINO)CARBONYL]-3-[(3S)-3-FLUOROPYRROLIDIN-1-YL]-3-OXOPROPYL}PHENYL)-1H-[1,2,4]TRIAZOLO[1,5-A]PYRIDIN-4-IUM
Authors:Scapin, G., Patel, S.B., Becker, J.W.
Deposit date:2006-01-03
Release date:2006-07-04
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:(2S,3S)-3-Amino-4-(3,3-difluoropyrrolidin-1-yl)-N,N-dimethyl-4-oxo-2-(4-[1,2,4]triazolo[1,5-a]- pyridin-6-ylphenyl)butanamide: a selective alpha-amino amide dipeptidyl peptidase IV inhibitor for the treatment of type 2 diabetes.
J.Med.Chem., 49, 2006
2HHA
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THE STRUCTURE OF DPP4 IN COMPLEX WITH AN OXADIAZOLE INHIBITOR
Descriptor:Hypothetical protein DPP4, N-ACETYL-D-GLUCOSAMINE, 2-(ACETYLAMINO)-2-DEOXY-A-D-GLUCOPYRANOSE, ...
Authors:Scapin, G.
Deposit date:2006-06-28
Release date:2006-09-19
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Discovery of potent, selective, and orally bioavailable oxadiazole-based dipeptidyl peptidase IV inhibitors.
Bioorg.Med.Chem.Lett., 16, 2006
2P8S
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HUMAN DIPEPTIDYL PEPTIDASE IV/CD26 IN COMPLEX WITH A CYCLOHEXALAMINE INHIBITOR
Descriptor:DIPEPTIDYL PEPTIDASE IV SOLUBLE FORM, N-ACETYL-D-GLUCOSAMINE, SODIUM ION, ...
Authors:Scapin, G., Biftu, T.
Deposit date:2007-03-23
Release date:2007-05-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Rational design of a novel, potent, and orally bioavailable cyclohexylamine DPP-4 inhibitor by application of molecular modeling and X-ray crystallography of sitagliptin
Bioorg.Med.Chem.Lett., 17, 2007
2QOE
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HUMAN DIPEPTIDYL PEPTIDASE IV IN COMPLEX WITH A TRIAZOLOPIPERAZINE-BASED BETA AMINO ACID INHIBITOR
Descriptor:Dipeptidyl peptidase 4, N-ACETYL-D-GLUCOSAMINE, SODIUM ION, ...
Authors:Scapin, G.
Deposit date:2007-07-20
Release date:2007-11-06
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Design, synthesis, and biological evaluation of triazolopiperazine-based beta-amino amides as potent, orally active dipeptidyl peptidase IV (DPP-4) inhibitors.
Bioorg.Med.Chem.Lett., 17, 2007
2QT9
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HUMAN DIPEPTIDYL PEPTIDASE IV/CD26 IN COMPLEX WITH A 4-ARYL CYCLOHEXYLALANINE INHIBITOR
Descriptor:Dipeptidyl peptidase 4, N-ACETYL-D-GLUCOSAMINE, SODIUM ION, ...
Authors:Scapin, G.
Deposit date:2007-08-01
Release date:2007-11-06
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:4-Arylcyclohexylalanine analogs as potent, selective, and orally active inhibitors of dipeptidyl peptidase IV.
Bioorg.Med.Chem.Lett., 17, 2007
2QTB
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HUMAN DIPEPTIDYL PEPTIDASE IV/CD26 IN COMPLEX WITH A 4-ARYL CYCLOHEXYLALANINE INHIBITOR
Descriptor:Dipeptidyl peptidase 4, N-ACETYL-D-GLUCOSAMINE, SODIUM ION, ...
Authors:Scapin, G.
Deposit date:2007-08-01
Release date:2007-11-06
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:4-Arylcyclohexylalanine analogs as potent, selective, and orally active inhibitors of dipeptidyl peptidase IV.
Bioorg.Med.Chem.Lett., 17, 2007
3D4L
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HUMAN DIPEPTIDYL PEPTIDASE IV/CD26 IN COMPLEX WITH A NOVEL INHIBITOR
Descriptor:Dipeptidyl peptidase 4 soluble form, N-ACETYL-D-GLUCOSAMINE, 2-(ACETYLAMINO)-2-DEOXY-A-D-GLUCOPYRANOSE, ...
Authors:Scapin, G.
Deposit date:2008-05-14
Release date:2008-07-01
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of new binding elements in DPP-4 inhibition and their applications in novel DPP-4 inhibitor design.
Bioorg.Med.Chem.Lett., 18, 2008
3HAB
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THE STRUCTURE OF DPP4 IN COMPLEX WITH PIPERIDINE FUSED BENZIMIDAZOLE 25
Descriptor:Dipeptidyl peptidase 4, N-ACETYL-D-GLUCOSAMINE, 2-(ACETYLAMINO)-2-DEOXY-A-D-GLUCOPYRANOSE, ...
Authors:Scapin, G.
Deposit date:2009-05-01
Release date:2009-07-21
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Aminopiperidine-fused imidazoles as dipeptidyl peptidase-IV inhibitors
Bioorg.Med.Chem.Lett., 19, 2009
3HAC
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THE STRUCTURE OF DPP-4 IN COMPLEX WITH PIPERIDINE FUSED IMIDAZOPYRIDINE 34
Descriptor:Dipeptidyl peptidase 4, N-ACETYL-D-GLUCOSAMINE, 2-(ACETYLAMINO)-2-DEOXY-A-D-GLUCOPYRANOSE, ...
Authors:Scapin, G.
Deposit date:2009-05-01
Release date:2009-07-21
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Aminopiperidine-fused imidazoles as dipeptidyl peptidase-IV inhibitors
Bioorg.Med.Chem.Lett., 19, 2009
4PNZ
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HUMAN DIPEPTIDYL PEPTIDASE IV/CD26 IN COMPLEX WITH THE LONG-ACTING INHIBITOR OMARIGLIPTIN (MK-3102)
Descriptor:Dipeptidyl peptidase 4, SODIUM ION, (2R,3S,5R)-5-[2-(methylsulfonyl)-2,6-dihydropyrrolo[3,4-c]pyrazol-5(4H)-yl]-2-(2,4,5-trifluorophenyl)tetrahydro-2H-pyran-3-amine, ...
Authors:Scapin, G., Yan, Y.
Deposit date:2014-02-22
Release date:2014-04-09
Last modified:2014-05-07
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Omarigliptin (MK-3102): A Novel Long-Acting DPP-4 Inhibitor for Once-Weekly Treatment of Type 2 Diabetes.
J.Med.Chem., 57, 2014
5ISM
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HUMAN DPP4 IN COMPLEX WITH A NOVEL 5,5,6-TRICYCLIC PYRROLIDINE INHIBITOR
Descriptor:Dipeptidyl peptidase 4, N-ACETYL-D-GLUCOSAMINE, SODIUM ION, ...
Authors:Scapin, G.
Deposit date:2016-03-15
Release date:2016-05-11
Last modified:2016-05-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:The discovery of novel 5,6,5- and 5,5,6-tricyclic pyrrolidines as potent and selective DPP-4 inhibitors.
Bioorg.Med.Chem.Lett., 26, 2016
6B1E
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THE STRUCTURE OF DPP4 IN COMPLEX WITH VILDAGLIPTIN
Descriptor:Dipeptidyl peptidase 4, 2-{[(1r,3s,5R,7S)-3-hydroxytricyclo[3.3.1.1~3,7~]decan-1-yl]amino}-1-{(2S)-2-[(E)-iminomethyl]pyrrolidin-1-yl}ethan-1-one, N-ACETYL-D-GLUCOSAMINE, ...
Authors:Scapin, G.
Deposit date:2017-09-18
Release date:2017-09-27
Last modified:2019-03-13
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:A comparative study of the binding properties, dipeptidyl peptidase-4 (DPP-4) inhibitory activity and glucose-lowering efficacy of the DPP-4 inhibitors alogliptin, linagliptin, saxagliptin, sitagliptin and vildagliptin in mice.
Endocrinol Diabetes Metab, 1, 2018
6B1O
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THE STRUCTURE OF DPP4 IN COMPLEX WITH VILDAGLIPTIN ANALOG
Descriptor:Dipeptidyl peptidase 4, N-ACETYL-D-GLUCOSAMINE, (2S)-2-amino-1-[(1S,3S,5S)-3-(aminomethyl)-2-azabicyclo[3.1.0]hexan-2-yl]-2-[(1r,3R,5S,7S)-3,5-dihydroxytricyclo[3.3.1.1~3,7~]decan-1-yl]ethan-1-one
Authors:Scapin, G.
Deposit date:2017-09-18
Release date:2017-09-27
Last modified:2019-03-13
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:A comparative study of the binding properties, dipeptidyl peptidase-4 (DPP-4) inhibitory activity and glucose-lowering efficacy of the DPP-4 inhibitors alogliptin, linagliptin, saxagliptin, sitagliptin and vildagliptin in mice.
Endocrinol Diabetes Metab, 1, 2018