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3H0C
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BU of 3h0c by Molmil
Crystal Structure of Human Dipeptidyl Peptidase IV (CD26) in Complex with a Reversed Amide Inhibitor
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Dipeptidyl peptidase 4, N-({(2S)-1-[(3R)-3-amino-4-(3-chlorophenyl)butanoyl]pyrrolidin-2-yl}methyl)-3-(methylsulfonyl)benzamide
Authors:Nordhoff, S, Cerezo-Galvez, S, Deppe, H, Hill, O, Lopez-Canet, M, Rummey, C, Thiemann, M, Matassa, V.G, Edwards, P.J, Feurer, A.
Deposit date:2009-04-09
Release date:2009-06-09
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.66 Å)
Cite:Discovery of b-homophenylalanine based pyrrolidin-2-ylmethyl amides and sulfonamides as highly potent and selective inhibitors of dipeptidyl peptidase IV
To be Published
2BUC
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BU of 2buc by Molmil
Crystal Structure Of Porcine Dipeptidyl Peptidase IV (CD26) in Complex with a Tetrahydroisoquinoline Inhibitor
Descriptor: (S)-2-[(R)-3-AMINO-4-(2-FLUORO-PHENYL)-BUTYRYL]-1,2,3,4-TETRAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID AMIDE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Nordhoff, S, Cerezo-Galvez, S, Feurer, A, Hill, O, Matassa, V.G, Metz, G, Rummey, C, Thiemann, M, Edwards, P.J.
Deposit date:2005-06-09
Release date:2006-01-23
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The reversed binding of beta-phenethylamine inhibitors of DPP-IV: X-ray structures and properties of novel fragment and elaborated inhibitors.
Bioorg. Med. Chem. Lett., 16, 2006
2BUA
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BU of 2bua by Molmil
Crystal Structure Of Porcine Dipeptidyl Peptidase IV (Cd26) in Complex With a Low Molecular Weight Inhibitor.
Descriptor: 1-METHYLAMINE-1-BENZYL-CYCLOPENTANE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Nordhoff, S, Cerezo-Galvez, S, Feurer, A, Hill, O, Matassa, V.G, Metz, G, Rummey, C, Thiemann, M, Edwards, P.J.
Deposit date:2005-06-09
Release date:2006-01-23
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.56 Å)
Cite:The reversed binding of beta-phenethylamine inhibitors of DPP-IV: X-ray structures and properties of novel fragment and elaborated inhibitors.
Bioorg. Med. Chem. Lett., 16, 2006
2BUB
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BU of 2bub by Molmil
Crystal Structure Of Human Dipeptidyl Peptidase IV (CD26) in Complex with a Reversed Amide Inhibitor
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, DIPEPTIDYL PEPTIDASE 4, N-({(2S)-1-[(3R)-3-AMINO-4-(2-FLUOROPHENYL)BUTANOYL]PYRROLIDIN-2-YL}METHYL)BENZAMIDE
Authors:Nordhoff, S, Cerezo-Galvez, S, Feurer, A, Hill, O, Matassa, V.G, Metz, G, Rummey, C, Thiemann, M, Edwards, P.J.
Deposit date:2005-06-09
Release date:2006-01-23
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.66 Å)
Cite:The reversed binding of beta-phenethylamine inhibitors of DPP-IV: X-ray structures and properties of novel fragment and elaborated inhibitors.
Bioorg. Med. Chem. Lett., 16, 2006
8PWR
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BU of 8pwr by Molmil
TINA-conjugated antiparallel DNA triplex
Descriptor: DNA (5'-D(*AP*GP*GP*AP*GP*GP*A)-3'), DNA (5'-D(*TP*CP*CP*TP*CP*CP*T)-3'), DNA (5'-D(*TP*GP*GP*TP*GP*(J32)P*GP*T)-3')
Authors:Garavis, M, Edwards, P.J.B, Serrano-Chacon, I, Doluca, O, Filichev, V.V, Gonzalez, C.
Deposit date:2023-07-21
Release date:2024-01-17
Last modified:2024-03-27
Method:SOLUTION NMR
Cite:Understanding intercalative modulation of G-rich sequence folding: solution structure of a TINA-conjugated antiparallel DNA triplex.
Nucleic Acids Res., 52, 2024
6U1L
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BU of 6u1l by Molmil
Structure of two-domain translational regulator Yih1 reveals a possible mechanism of action
Descriptor: Protein IMPACT homolog
Authors:Harjes, E, Jameson, G.B, Edwards, P.J.B, Goroncy, A.K, Loo, T, Norris, G.E.
Deposit date:2019-08-16
Release date:2021-02-10
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Experimentally based structural model of Yih1 provides insight into its function in controlling the key translational regulator Gcn2.
Febs Lett., 595, 2021
6U1O
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BU of 6u1o by Molmil
Structure of two-domain translational regulator Yih1 reveals a possible mechanism of action
Descriptor: Protein IMPACT homolog
Authors:Harjes, E, Jameson, G.B, Edwards, P.J.B, Goroncy, A.K, Loo, T, Norris, G.E.
Deposit date:2019-08-16
Release date:2021-02-10
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Experimentally based structural model of Yih1 provides insight into its function in controlling the key translational regulator Gcn2.
Febs Lett., 595, 2021
2KXG
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BU of 2kxg by Molmil
The solution structure of the squash aspartic acid proteinase inhibitor (SQAPI)
Descriptor: Aspartic protease inhibitor
Authors:Headey, S.J, Macaskill, U.K, Wright, M, Claridge, J.K, Edwards, P.J.B, Farley, P.C, Christeller, J.T, Laing, W.A, Pascal, S.M.
Deposit date:2010-05-05
Release date:2010-06-09
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Solution structure of the squash aspartic acid proteinase inhibitor (SQAPI) and mutational analysis of pepsin inhibition.
J.Biol.Chem., 285, 2010
8DFZ
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BU of 8dfz by Molmil
NMR shows why a small chemical change almost abolishes the antimicrobial activity of GccF
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Bacteriocin glycocin F
Authors:Harjes, E, Edwards, P.J.B, Norris, G.
Deposit date:2022-06-23
Release date:2023-07-05
Last modified:2023-09-13
Method:SOLUTION NMR
Cite:NMR Shows Why a Small Chemical Change Almost Abolishes the Antimicrobial Activity of Glycocin F.
Biochemistry, 62, 2023
6BQI
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BU of 6bqi by Molmil
Structure of two-domain translational regulator Yih1 reveals a possible mechanism of action
Descriptor: Protein IMPACT homolog
Authors:Harjes, E, Jameson, G.B, Edwards, P.J.B, Goroncy, A.K, Loo, T, Norris, G.E.
Deposit date:2017-11-27
Release date:2018-11-28
Last modified:2024-05-15
Method:SOLUTION NMR, SOLUTION SCATTERING
Cite:Experimentally based structural model of Yih1 provides insight into its function in controlling the key translational regulator Gcn2.
Febs Lett., 2020
2KUY
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BU of 2kuy by Molmil
Structure of Glycocin F
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Prebacteriocin glycocin F
Authors:Venugopal, H, Edwards, P, Schwalbe, M, Claridge, J, Stepper, J, Patchett, M, Loo, T, Libich, D, Norris, G, Pascal, S.
Deposit date:2010-03-01
Release date:2011-05-04
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Structural, dynamic, and chemical characterization of a novel s-glycosylated bacteriocin.
Biochemistry, 50, 2011
6B34
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BU of 6b34 by Molmil
NMR ensemble of Tyrocidine A analogue AC3.27
Descriptor: Tyrocidine A analogue D-PHE-BE2-PHE-D-PHE-ASN-GLN-TYR-VAL-ORN-LEU
Authors:Cameron, A.J, Ewdards, P.J.B, Harjes, E, Sarojini, V.
Deposit date:2017-09-20
Release date:2017-12-06
Last modified:2023-11-15
Method:SOLUTION NMR
Cite:Tyrocidine A Analogues Bearing the Planar d-Phe-2-Abz Turn Motif: How Conformation Impacts Bioactivity.
J. Med. Chem., 60, 2017
6B35
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BU of 6b35 by Molmil
NMR ensemble of Tyrocidine A analogue AC3.28
Descriptor: Tyrocidine A analogue D-PHE-BE2-PHE-D-PHE-ASN-LYS-TYR-VAL-ORN-LEU
Authors:Cameron, A.J, Ewdards, P.J.B, Harjes, E, Sarojini, V.
Deposit date:2017-09-20
Release date:2017-12-06
Last modified:2023-11-15
Method:SOLUTION NMR
Cite:Tyrocidine A Analogues Bearing the Planar d-Phe-2-Abz Turn Motif: How Conformation Impacts Bioactivity.
J. Med. Chem., 60, 2017
6ANM
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BU of 6anm by Molmil
Structure of D-Leu-D-Phe-2-Abz-D-Ala at 0.64 Angstrom
Descriptor: DLE-DPN-BE2-DAL
Authors:Cameron, A.J, Sarojini, V, Squire, C.J.
Deposit date:2017-08-14
Release date:2017-11-15
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (0.64 Å)
Cite:Crystal and NMR Structures of a Peptidomimetic beta-Turn That Provides Facile Synthesis of 13-Membered Cyclic Tetrapeptides.
Chem Asian J, 12, 2017
6ANN
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BU of 6ann by Molmil
Structure of cyclic D-Leu-N-methyl-D-Phe-2-Abz-D-Ala at 0.76 Angstrom
Descriptor: ETHANOL, cyclic DLE-ZAE-BE2-DAL
Authors:Cameron, A.J, Sarojini, V, Squire, C.J.
Deposit date:2017-08-14
Release date:2017-11-15
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (0.76 Å)
Cite:Crystal and NMR Structures of a Peptidomimetic beta-Turn That Provides Facile Synthesis of 13-Membered Cyclic Tetrapeptides.
Chem Asian J, 12, 2017

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