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2FHY
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BU of 2fhy by Molmil
Structure of human liver FPBase complexed with a novel benzoxazole as allosteric inhibitor
Descriptor: 2,5-DICHLORO-N-(5-CHLORO-1,3-BENZOXAZOL-2-YL)BENZENESULFONAMIDE, Fructose-1,6-bisphosphatase 1, MAGNESIUM ION
Authors:Abad-Zapatero, C.
Deposit date:2005-12-27
Release date:2006-02-21
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Benzoxazole benzenesulfonamides are novel allosteric inhibitors of fructose-1,6-bisphosphatase with a distinct binding mode.
Bioorg.Med.Chem.Lett., 16, 2006
2OQI
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BU of 2oqi by Molmil
Human Dipeptidyl Peptidase IV (DPP4) with Piperidinone-constrained phenethylamine
Descriptor: (4R,5R)-5-AMINO-1-[2-(1,3-BENZODIOXOL-5-YL)ETHYL]-4-(2,4,5-TRIFLUOROPHENYL)PIPERIDIN-2-ONE, Dipeptidyl peptidase 4 (Dipeptidyl peptidase IV) (DPP IV) (T-cell activation antigen CD26) (TP103) (Adenosine deaminase complexing protein 2) (ADABP)
Authors:Pei, Z, Li, X, von Geldern, T.W, Longenecker, K.L, Pireh, D, Stewart, K.D, Backes, B.J, Lai, C, Lubben, T.H, Ballaron, S.J, Beno, D.W, Kempf-Grote, A.J, Sham, H.L, Trevillyan, J.M.
Deposit date:2007-01-31
Release date:2007-04-03
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Discovery and Structure-Activity Relationships of Piperidinone- and Piperidine-Constrained Phenethylamines as Novel, Potent, and Selective Dipeptidyl Peptidase IV Inhibitors.
J.Med.Chem., 50, 2007
2OQV
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BU of 2oqv by Molmil
Human Dipeptidyl Peptidase IV (DPP4) with piperidine-constrained phenethylamine
Descriptor: (3R,4R)-1-{6-[3-(METHYLSULFONYL)PHENYL]PYRIMIDIN-4-YL}-4-(2,4,5-TRIFLUOROPHENYL)PIPERIDIN-3-AMINE, Dipeptidyl peptidase 4 (Dipeptidyl peptidase IV) (DPP IV)
Authors:Pei, Z, Li, X, von Geldern, T.W, Longenecker, K.L, Pireh, D, Stewart, K.D.
Deposit date:2007-02-01
Release date:2007-04-24
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Discovery and Structure-Activity Relationships of Piperidinone- and Piperidine-Constrained Phenethylamines as Novel, Potent, and Selective Dipeptidyl Peptidase IV Inhibitors.
J.Med.Chem., 50, 2007
2FIE
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BU of 2fie by Molmil
Structure of human liver FBPase complexed with potent benzoxazole allosteric inhibitors
Descriptor: 2,5-DICHLORO-N-[5-METHOXY-7-(6-METHOXYPYRIDIN-3-YL)-1,3-BENZOXAZOL-2-YL]BENZENESULFONAMIDE, Fructose-1,6-bisphosphatase 1
Authors:Abad-Zapatero, C.
Deposit date:2005-12-29
Release date:2006-02-21
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:Benzoxazole benzenesulfonamides as allosteric inhibitors of fructose-1,6-bisphosphatase.
Bioorg.Med.Chem.Lett., 16, 2006
2FIX
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BU of 2fix by Molmil
Structure of human liver FBPase complexed with potent benzoxazole allosteric inhibitiors
Descriptor: Fructose-1,6-bisphosphatase 1, N-[7-(3-AMINOPHENYL)-5-METHOXY-1,3-BENZOXAZOL-2-YL]-2,5-DICHLOROBENZENESULFONAMIDE
Authors:Abad-Zapatero, C.
Deposit date:2005-12-30
Release date:2006-02-21
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Benzoxazole benzenesulfonamides as allosteric inhibitors of fructose-1,6-bisphosphatase.
Bioorg.Med.Chem.Lett., 16, 2006
2I3Z
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BU of 2i3z by Molmil
rat DPP-IV with xanthine mimetic inhibitor #7
Descriptor: 2-[(3S)-3-AMINOPIPERIDIN-1-YL]-1-(2-CYANOBENZYL)-5-METHYL-4,6-DIOXO-3,4,5,6-TETRAHYDROPYRROLO[3,4-D]IMIDAZOL-1-IUM, Dipeptidyl peptidase 4 (Dipeptidyl peptidase IV) (DPP IV)
Authors:Kurukulasuriya, R, Rohde, J.J, Szczepankiewicz, B.G, Basha, F, Lai, C, Winn, M, Stewart, K.D, Longenecker, K.L, Lubben, T.W, Ballaron, S.J, Sham, H.L, VonGeldern, T.W.
Deposit date:2006-08-21
Release date:2006-12-12
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Xanthine mimetics as potent dipeptidyl peptidase IV inhibitors.
Bioorg.Med.Chem.Lett., 16, 2006
2OAG
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BU of 2oag by Molmil
Crystal structure of human dipeptidyl peptidase IV (DPPIV) with pyrrolidine-constrained phenethylamine 29g
Descriptor: (3R,4S)-1-{6-[3-(METHYLSULFONYL)PHENYL]PYRIMIDIN-4-YL}-4-(2,4,5-TRIFLUOROPHENYL)PYRROLIDIN-3-AMINE, Dipeptidyl peptidase 4
Authors:Backes, B.J, Longenecker, K.L, Hamilton, G.L, Stewart, K.D, Lai, C, Kopecka, H.
Deposit date:2006-12-15
Release date:2007-09-11
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Pyrrolidine-constrained phenethylamines: The design of potent, selective, and pharmacologically efficacious dipeptidyl peptidase IV (DPP4) inhibitors from a lead-like screening hit.
Bioorg.Med.Chem.Lett., 17, 2007
2OAE
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BU of 2oae by Molmil
Crystal structure of rat dipeptidyl peptidase (DPPIV) with thiazole-based peptide mimetic #31
Descriptor: Dipeptidyl peptidase 4, N-{[(3S,5S)-5-(1,3-THIAZOLIDIN-3-YLCARBONYL)PYRROLIDIN-3-YL]METHYL}-1,3-THIAZOLE-4-CARBOXAMIDE, SULFATE ION
Authors:Longenecker, K.L, Shuai, Q, Patel, J, Wiedeman, P.
Deposit date:2006-12-15
Release date:2007-02-27
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (3 Å)
Cite:Pyrrolidine-constrained phenethylamines: The design of potent, selective, and pharmacologically efficacious dipeptidyl peptidase IV (DPP4) inhibitors from a lead-like screening hit.
Bioorg.Med.Chem.Lett., 17, 2007
2G5P
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BU of 2g5p by Molmil
Crystal structure of human dipeptidyl peptidase IV (DPPIV) complexed with cyanopyrrolidine (C5-pro-pro) inhibitor 21ac
Descriptor: 4-{[(2R,5S)-5-{[(2S)-2-(AMINOMETHYL)PYRROLIDIN-1-YL]CARBONYL}PYRROLIDIN-2-YL]METHOXY}-3-TERT-BUTYLBENZOIC ACID, Dipeptidyl peptidase 4
Authors:Longenecker, K.L, Fry, E.H, Lake, M.R, Solomon, L.R, Pei, Z, Li, X.
Deposit date:2006-02-23
Release date:2006-07-04
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovery, structure-activity relationship, and pharmacological evaluation of (5-substituted-pyrrolidinyl-2-carbonyl)-2-cyanopyrrolidines as potent dipeptidyl peptidase IV inhibitors.
J.Med.Chem., 49, 2006
2G63
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BU of 2g63 by Molmil
Crystal structure of human dipeptidyl peptidase IV (DPPIV) complexed with cyanopyrrolidine (C5-pro-pro) inhibitor 24b
Descriptor: Dipeptidyl peptidase 4, METHYL 4-{[({[(2R,5S)-5-{[(2S)-2-(AMINOMETHYL)PYRROLIDIN-1-YL]CARBONYL}PYRROLIDIN-2-YL]METHYL}AMINO)CARBONYL]AMINO}BENZOATE
Authors:Longenecker, K.L, Fry, E.H, Lake, M.R, Solomon, L.R, Pei, Z, Li, X.
Deposit date:2006-02-24
Release date:2006-07-04
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery, structure-activity relationship, and pharmacological evaluation of (5-substituted-pyrrolidinyl-2-carbonyl)-2-cyanopyrrolidines as potent dipeptidyl peptidase IV inhibitors.
J.Med.Chem., 49, 2006
2GBC
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BU of 2gbc by Molmil
Native DPP-IV (CD26) from Rat
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Dipeptidyl peptidase 4
Authors:Longenecker, K.L, Jakob, C.G, Fry, E.H, Wilk, S.
Deposit date:2006-03-10
Release date:2006-07-04
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal Structures of DPP-IV (CD26) from Rat Kidney Exhibit Flexible Accommodation of Peptidase-Selective Inhibitors.
Biochemistry, 45, 2006
2GBG
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BU of 2gbg by Molmil
rat DPP-IV with alkynyl cyanopyrrolidine #2
Descriptor: (1S)-2-[(2S,5R)-2-(AMINOMETHYL)-5-PROP-1-YN-1-YLPYRROLIDIN-1-YL]-1-CYCLOPENTYL-2-OXOETHANAMINE, Dipeptidyl peptidase 4, SULFATE ION
Authors:Longenecker, K.L, Jakob, C.G, Fry, E.H, Wilk, S.
Deposit date:2006-03-10
Release date:2006-07-04
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal Structures of DPP-IV (CD26) from Rat Kidney Exhibit Flexible Accommodation of Peptidase-Selective Inhibitors.
Biochemistry, 45, 2006
2GBI
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BU of 2gbi by Molmil
rat DPP-IV with xanthine inhibitor 4
Descriptor: 2-({8-[(3R)-3-AMINOPIPERIDIN-1-YL]-1,3-DIMETHYL-2,6-DIOXO-1,2,3,6-TETRAHYDRO-7H-PURIN-7-YL}METHYL)BENZONITRILE, Dipeptidyl peptidase 4
Authors:Longenecker, K.L, Jakob, C.G, Fry, E.H, Wilk, S.
Deposit date:2006-03-10
Release date:2006-07-04
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Crystal Structures of DPP-IV (CD26) from Rat Kidney Exhibit Flexible Accommodation of Peptidase-Selective Inhibitors.
Biochemistry, 45, 2006
2G5T
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BU of 2g5t by Molmil
Crystal structure of human dipeptidyl peptidase IV (DPPIV) complexed with cyanopyrrolidine (C5-pro-pro) inhibitor 21ag
Descriptor: 3-{[(2R,5S)-5-{[(2S)-2-(AMINOMETHYL)PYRROLIDIN-1-YL]CARBONYL}PYRROLIDIN-2-YL]METHOXY}-4-CHLOROBENZOIC ACID, Dipeptidyl peptidase 4
Authors:Longenecker, K.L, Fry, E.H, Lake, M.R, Solomon, L.R, Pei, Z, Li, X.
Deposit date:2006-02-23
Release date:2006-07-04
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery, structure-activity relationship, and pharmacological evaluation of (5-substituted-pyrrolidinyl-2-carbonyl)-2-cyanopyrrolidines as potent dipeptidyl peptidase IV inhibitors.
J.Med.Chem., 49, 2006
2GBF
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BU of 2gbf by Molmil
rat dpp-IV with alkynyl cyanopyrrolidine #1
Descriptor: (1S)-2-[(2S,5R)-2-(AMINOMETHYL)-5-ETHYNYLPYRROLIDIN-1-YL]-1-CYCLOPENTYL-2-OXOETHANAMINE, Dipeptidyl peptidase 4
Authors:Longenecker, K.L, Jakob, C.G, Fry, E.H, Wilk, S.
Deposit date:2006-03-10
Release date:2006-07-04
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Crystal Structures of DPP-IV (CD26) from Rat Kidney Exhibit Flexible Accommodation of Peptidase-Selective Inhibitors.
Biochemistry, 45, 2006
2I03
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BU of 2i03 by Molmil
Crystal structure of human dipeptidyl peptidase 4 (DPP IV) with potent alkynyl cyanopyrrolidine (ABT-279)
Descriptor: 2-[4-({2-[(2S,5R)-2-(AMINOMETHYL)-5-ETHYNYLPYRROLIDIN-1-YL]-2-OXOETHYL}AMINO)-4-METHYLPIPERIDIN-1-YL]ISONICOTINIC ACID, Dipeptidyl peptidase 4
Authors:Longenecker, K.L, Madar, D.J.
Deposit date:2006-08-09
Release date:2006-12-12
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovery of 2-[4-{{2-(2S,5R)-2-cyano-5-ethynyl-1-pyrrolidinyl]-2-oxoethyl]amino]- 4-methyl-1-piperidinyl]-4-pyridinecarboxylic acid (ABT-279): a very potent, selective, effective, and well-tolerated inhibitor of dipeptidyl peptidase-IV, useful for the treatment of diabetes.
J.Med.Chem., 49, 2006

217705

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