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4A5S
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BU of 4a5s by Molmil
CRYSTAL STRUCTURE OF HUMAN DPP4 IN COMPLEX WITH A NOVAL HETEROCYCLIC DPP4 INHIBITOR
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-[(3S)-3-AMINOPIPERIDIN-1-YL]-5-BENZYL-4-OXO-3-(QUINOLIN-4-YLMETHYL)-4,5-DIHYDRO-3H-PYRROLO[3,2-D]PYRIMIDINE-7-CARBONITRILE, DIPEPTIDYL PEPTIDASE 4 SOLUBLE FORM, ...
Authors:Ostermann, N, Kroemer, M, Zink, F, Gerhartz, B, Sutton, J.M, Clark, D.E, Dunsdon, S.J, Fenton, G, Fillmore, A, Harris, N.V, Higgs, C, Hurley, C.A, Krintel, S.L, MacKenzie, R.E, Duttaroy, A, Gangl, E, Maniara, W, Sedrani, R, Namoto, K, Sirockin, F, Trappe, J, Hassiepen, U, Baeschlin, D.K.
Deposit date:2011-10-28
Release date:2012-02-08
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Novel Heterocyclic Dpp-4 Inhibitors for the Treatment of Type 2 Diabetes.
Bioorg.Med.Chem.Lett., 22, 2012
7AJR
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BU of 7ajr by Molmil
Virtual screening approach leading to the identification of a novel and tractable series of Pseudomonas aeruginosa elastase inhibitors
Descriptor: 2-[2-(1,3-benzothiazol-2-ylmethylcarbamoyl)-1,3-dihydroinden-2-yl]ethanoic acid, Keratinase KP2, SULFATE ION, ...
Authors:Leiris, S, Davies, D.T, Sprinsky, N, Castandet, J, Behria, L, Bodnarchuk, M.S, Sutton, J.M, Mullins, T.M.G, Jones, M.W, Forrest, A.K, Pallin, T.D, Karunakar, P, Martha, S.K, Parusharamulu, B, Ramula, R, Kotha, V, Pottabathini, N, Pothukanuri, S, Lemonnier, M, Everett, M.
Deposit date:2020-09-29
Release date:2021-02-10
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Virtual Screening Approach to Identifying a Novel and Tractable Series of Pseudomonas aeruginosa Elastase Inhibitors.
Acs Med.Chem.Lett., 12, 2021
6P90
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BU of 6p90 by Molmil
Crystal structure of PaDHDPS2-H56Q mutant
Descriptor: 4-hydroxy-tetrahydrodipicolinate synthase, CHLORIDE ION, GLYCEROL
Authors:Impey, R.E, Panjikar, S, Hall, C.J, Bock, L.J, Sutton, J.M, Perugini, M.A, Soares da Costa, T.P.
Deposit date:2019-06-08
Release date:2019-08-07
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Identification of two dihydrodipicolinate synthase isoforms from Pseudomonas aeruginosa that differ in allosteric regulation.
Febs J., 287, 2020
1UZI
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BU of 1uzi by Molmil
C3 EXOENZYME FROM CLOSTRIDIUM BOTULINUM, TETRAGONAL FORM
Descriptor: CYCLO-TETRAMETAVANADATE, GLYCEROL, MONO-ADP-RIBOSYLTRANSFERASE C3, ...
Authors:Evans, H.R, Holloway, D.E, Sutton, J.M, Ayriss, J, Shone, C.C, Acharya, K.R.
Deposit date:2004-03-12
Release date:2004-07-29
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:C3 Exoenzyme from Clostridium Botulinum: Structure of a Tetragonal Crystal Form and a Reassessment of Nad-Induced Flexure
Acta Crystallogr.,Sect.D, 60, 2004
1OJQ
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BU of 1ojq by Molmil
The crystal structure of C3stau2 from S. aureus
Descriptor: ADP-RIBOSYLTRANSFERASE
Authors:Evans, H.R, Sutton, J.M, Holloway, D.E, Ayriss, J, Shone, C.C, Acharya, K.R.
Deposit date:2003-07-15
Release date:2003-08-28
Last modified:2019-05-22
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:The Crystal Structure of C3Stau2 from Staphylococcus Aureus and its Complex with Nad
J.Biol.Chem., 278, 2003
1OJZ
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BU of 1ojz by Molmil
The crystal structure of C3stau2 from S. aureus with NAD
Descriptor: ADP-RIBOSYLTRANSFERASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Evans, H.R, Sutton, J.M, Holloway, D.E, Ayriss, J, Shone, C.C, Acharya, K.R.
Deposit date:2003-07-16
Release date:2003-08-28
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:The Crystal Structure of C3Stau2 from Staphylococcus Aureus and its Complex with Nad
J.Biol.Chem., 278, 2003
6UE0
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BU of 6ue0 by Molmil
Crystal structure of dihydrodipicolinate synthase from Klebsiella pneumoniae bound to pyruvate
Descriptor: 4-hydroxy-tetrahydrodipicolinate synthase, CHLORIDE ION, SULFATE ION
Authors:Impey, R.E, Lee, M, Hawkins, D.A, Sutton, J.M, Panjikar, S, Perugini, M.A, Soares da Costa, T.P.
Deposit date:2019-09-20
Release date:2020-02-05
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.892 Å)
Cite:Mis-annotations of a promising antibiotic target in high-priority gram-negative pathogens.
Febs Lett., 594, 2020
2BOV
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BU of 2bov by Molmil
Molecular recognition of an ADP-ribosylating Clostridium botulinum C3 exoenzyme by RalA GTPase
Descriptor: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, MONO-ADP-RIBOSYLTRANSFERASE C3, ...
Authors:Holbourn, K.P, Sutton, J.M, Evans, H.R, Shone, C.C, Acharya, K.R.
Deposit date:2005-04-14
Release date:2005-04-15
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.66 Å)
Cite:Molecular Recognition of an Adp-Ribosylating Clostridium Botulinum C3 Exoenzyme by Rala Gtpase
Proc.Natl.Acad.Sci.USA, 102, 2005
6O8T
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BU of 6o8t by Molmil
Syn-safencin 96
Descriptor: Circular bacteriocin, circularin A/uberolysin family
Authors:Fields, F.R, Lee, S.W.
Deposit date:2019-03-11
Release date:2020-04-15
Last modified:2020-07-22
Method:SOLUTION NMR
Cite:Synthetic Antimicrobial Peptide Tuning Permits Membrane Disruption and Interpeptide Synergy.
Acs Pharmacol Transl Sci, 3, 2020
6O8J
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BU of 6o8j by Molmil
Syn-safencin
Descriptor: Circular bacteriocin, circularin A/uberolysin family
Authors:Fields, F.R, Lee, S.W.
Deposit date:2019-03-11
Release date:2020-04-15
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Synthetic Antimicrobial Peptide Tuning Permits Membrane Disruption and Interpeptide Synergy.
Acs Pharmacol Transl Sci, 3, 2020
6O8R
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BU of 6o8r by Molmil
Syn-safencin 24
Descriptor: Circular bacteriocin, circularin A/uberolysin family
Authors:Fields, F.R, Lee, S.W.
Deposit date:2019-03-11
Release date:2020-05-13
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Synthetic Antimicrobial Peptide Tuning Permits Membrane Disruption and Interpeptide Synergy.
Acs Pharmacol Transl Sci, 3, 2020
6O8P
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BU of 6o8p by Molmil
Syn-safencin 8
Descriptor: Circular bacteriocin, circularin A/uberolysin family
Authors:Fields, F.R, Lee, S.W.
Deposit date:2019-03-11
Release date:2020-05-13
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Synthetic Antimicrobial Peptide Tuning Permits Membrane Disruption and Interpeptide Synergy.
Acs Pharmacol Transl Sci, 3, 2020
6O8S
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BU of 6o8s by Molmil
Syn-safencin 56
Descriptor: Circular bacteriocin, circularin A/uberolysin family
Authors:Fields, F.R, Lee, S.W.
Deposit date:2019-03-11
Release date:2020-05-13
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Synthetic Antimicrobial Peptide Tuning Permits Membrane Disruption and Interpeptide Synergy.
Acs Pharmacol Transl Sci, 3, 2020
6RSG
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BU of 6rsg by Molmil
NMR structure of pleurocidin VA in SDS micelles
Descriptor: Pleurocidin
Authors:Manzo, G, Mason, A.J.
Deposit date:2019-05-21
Release date:2020-12-09
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:A pleurocidin analogue with greater conformational flexibility, enhanced antimicrobial potency and in vivo therapeutic efficacy.
Commun Biol, 3, 2020
6GIK
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BU of 6gik by Molmil
NMR structure of temporin B L1FK in SDS micelles
Descriptor: temporinB_L1FK
Authors:Manzo, G, Mason, J.A.
Deposit date:2018-05-12
Release date:2018-06-13
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Minor sequence modifications in temporin B cause drastic changes in antibacterial potency and selectivity by fundamentally altering membrane activity.
Sci Rep, 9, 2019
6GIJ
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BU of 6gij by Molmil
NMR structure of temporin B KKG6A in SDS micelles
Descriptor: temporinB_KKG6A
Authors:Manzo, G, Mason, J.A.
Deposit date:2018-05-12
Release date:2018-06-13
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Minor sequence modifications in temporin B cause drastic changes in antibacterial potency and selectivity by fundamentally altering membrane activity.
Sci Rep, 9, 2019
6GIL
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BU of 6gil by Molmil
NMR structure of temporin B in SDS micelles
Descriptor: Temporin-B
Authors:Manzo, G, Mason, J.A.
Deposit date:2018-05-12
Release date:2018-06-13
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Minor sequence modifications in temporin B cause drastic changes in antibacterial potency and selectivity by fundamentally altering membrane activity.
Sci Rep, 9, 2019
6GS5
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BU of 6gs5 by Molmil
NMR structure of temporin L in SDS micelles
Descriptor: Temporin-L
Authors:Manzo, G, Mason, J.A.
Deposit date:2018-06-13
Release date:2018-07-18
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Temporin L and aurein 2.5 have identical conformations but subtly distinct membrane and antibacterial activities.
Sci Rep, 9, 2019
6GS9
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BU of 6gs9 by Molmil
NMR structure of aurein 2.5 in SDS micelles
Descriptor: Aurein 2.5
Authors:Manzo, G, Mason, J.A.
Deposit date:2018-06-13
Release date:2018-07-18
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Temporin L and aurein 2.5 have identical conformations but subtly distinct membrane and antibacterial activities.
Sci Rep, 9, 2019
4N8E
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BU of 4n8e by Molmil
DPP4 complexed with compound 12a
Descriptor: 1-[cis-4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]piperidin-2-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, Dipeptidyl peptidase 4, ...
Authors:Ostermann, N, Zink, F, Kroemer, M.
Deposit date:2013-10-17
Release date:2014-02-12
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of C-(1-aryl-cyclohexyl)-methylamines as selective, orally available inhibitors of dipeptidyl peptidase IV.
Bioorg.Med.Chem.Lett., 24, 2014
4N8D
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BU of 4n8d by Molmil
DPP4 complexed with syn-7aa
Descriptor: 1-(cis-1-phenyl-4-{[(2E)-3-phenylprop-2-en-1-yl]oxy}cyclohexyl)methanamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, Dipeptidyl peptidase 4, ...
Authors:Ostermann, N, Zink, F, Kroemer, M.
Deposit date:2013-10-17
Release date:2014-02-12
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Discovery of C-(1-aryl-cyclohexyl)-methylamines as selective, orally available inhibitors of dipeptidyl peptidase IV.
Bioorg.Med.Chem.Lett., 24, 2014
6RSF
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BU of 6rsf by Molmil
NMR structure of pleurocidin KR in SDS micelles
Descriptor: Pleurocidin
Authors:Manzo, G, Mason, A.J.
Deposit date:2019-05-21
Release date:2020-12-09
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:A pleurocidin analogue with greater conformational flexibility, enhanced antimicrobial potency and in vivo therapeutic efficacy.
Commun Biol, 3, 2020
2A78
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BU of 2a78 by Molmil
Crystal structure of the C3bot-RalA complex reveals a novel type of action of a bacterial exoenzyme
Descriptor: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Mono-ADP-ribosyltransferase C3, ...
Authors:Pautsch, A, Vogelsgesang, M, Trankle, J, Herrmann, C, Aktories, K.
Deposit date:2005-07-05
Release date:2005-10-11
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Crystal structure of the C3bot-RalA complex reveals a novel type of action of a bacterial exoenzyme.
Embo J., 24, 2005
2A9K
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BU of 2a9k by Molmil
Crystal structure of the C3bot-NAD-RalA complex reveals a novel type of action of a bacterial exoenzyme
Descriptor: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Mono-ADP-ribosyltransferase C3, ...
Authors:Pautsch, A, Vogelsgesang, M, Trankle, J, Herrmann, C, Aktories, K.
Deposit date:2005-07-12
Release date:2005-10-11
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Crystal structure of the C3bot-RalA complex reveals a novel type of action of a bacterial exoenzyme.
Embo J., 24, 2005

217705

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