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2JOS
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BU of 2jos by Molmil
Solution structure of piscidin in presence of DPC micelles
Descriptor: Moronecidin
Authors:Campagna, S, Saint, N, Molle, G, Aumelas, A.
Deposit date:2007-03-21
Release date:2007-04-03
Last modified:2023-12-20
Method:SOLUTION NMR
Cite:Structure and mechanism of action of the antimicrobial peptide piscidin
Biochemistry, 46, 2007
2KGW
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BU of 2kgw by Molmil
Solution Structure of the carboxy-terminal domain of OmpATb, a pore forming protein from Mycobacterium tuberculosis
Descriptor: Outer membrane protein A
Authors:Yang, Y, Auguin, D, Delbecq, S, Hoh, F, Dumas, E, Molle, V, Saint, N.
Deposit date:2009-03-20
Release date:2010-03-02
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Structure of the Mycobacterium tuberculosis OmpATb protein: A model of an oligomeric channel in the mycobacterial cell wall.
Proteins, 79, 2011
2KGS
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BU of 2kgs by Molmil
Solution structure of the amino-terminal domain of OmpATb, a pore forming protein from Mycobacterium tuberculosis
Descriptor: Uncharacterized protein Rv0899/MT0922
Authors:Yang, Y, Auguin, D, Delbecq, S, Dumas, E, Molle, V, Saint, N.
Deposit date:2009-03-18
Release date:2010-03-09
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Structure of the Mycobacterium tuberculosis OmpATb protein: A model of an oligomeric channel in the mycobacterial cell wall
Proteins, 79, 2011
1XKM
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BU of 1xkm by Molmil
NMR structure of antimicrobial peptide distinctin in water
Descriptor: Distinctin chain A, Distinctin chain B
Authors:Amodeo, P, Raimondo, D, Andreotti, G, Motta, A, Scaloni, A.
Deposit date:2004-09-29
Release date:2005-04-05
Last modified:2022-03-02
Method:SOLUTION NMR
Cite:A folding-dependent mechanism of antimicrobial peptide resistance to degradation unveiled by solution structure of distinctin.
Proc.Natl.Acad.Sci.Usa, 102, 2005
5HS6
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BU of 5hs6 by Molmil
Human 17beta-hydroxysteroid dehydrogenase type 14 in complex with Estrone
Descriptor: (9beta,13alpha)-3-hydroxyestra-1,3,5(10)-trien-17-one, 17-beta-hydroxysteroid dehydrogenase 14, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Bertoletti, N, Marchais-Oberwinkler, S, Heine, A, Klebe, G.
Deposit date:2016-01-25
Release date:2016-07-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:New Insights into Human 17 beta-Hydroxysteroid Dehydrogenase Type 14: First Crystal Structures in Complex with a Steroidal Ligand and with a Potent Nonsteroidal Inhibitor.
J.Med.Chem., 59, 2016
5ICS
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BU of 5ics by Molmil
Crystal structure of 17beta-hydroxysteroid dehydrogenase type 14 apoenzyme.
Descriptor: 17-beta-hydroxysteroid dehydrogenase 14
Authors:Bertoletti, N, Marchais-Oberwinkler, S, Heine, A, Klebe, G.
Deposit date:2016-02-23
Release date:2016-07-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:New Insights into Human 17 beta-Hydroxysteroid Dehydrogenase Type 14: First Crystal Structures in Complex with a Steroidal Ligand and with a Potent Nonsteroidal Inhibitor.
J.Med.Chem., 59, 2016
5ICM
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BU of 5icm by Molmil
17beta-hydroxysteroid dehydrogenase type 14 in complex with a non-steroidal inhibitor
Descriptor: 17-beta-hydroxysteroid dehydrogenase 14, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SODIUM ION, ...
Authors:Bertoletti, N, Braun, F, Marchais-Oberwinkler, S, Heine, A, Klebe, G.
Deposit date:2016-02-23
Release date:2016-07-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:New Insights into Human 17 beta-Hydroxysteroid Dehydrogenase Type 14: First Crystal Structures in Complex with a Steroidal Ligand and with a Potent Nonsteroidal Inhibitor.
J.Med.Chem., 59, 2016
5JS6
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BU of 5js6 by Molmil
Crystal structure of 17beta-hydroxysteroid dehydrogenase 14 T205 variant in complex with NAD.
Descriptor: 17-beta-hydroxysteroid dehydrogenase 14, CHLORIDE ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Bertoletti, N, Marchais-Oberwinkler, S, Heine, A, Klebe, G.
Deposit date:2016-05-07
Release date:2016-07-13
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.002 Å)
Cite:New Insights into Human 17 beta-Hydroxysteroid Dehydrogenase Type 14: First Crystal Structures in Complex with a Steroidal Ligand and with a Potent Nonsteroidal Inhibitor.
J.Med.Chem., 59, 2016
5JSF
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BU of 5jsf by Molmil
Crystal structure of 17beta-hydroxysteroid dehydrogenase 14 S205 variant in complex with NAD.
Descriptor: 17-beta-hydroxysteroid dehydrogenase 14, CHLORIDE ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Bertoletti, N, Marchais-Oberwinkler, S, Heine, A, Klebe, G.
Deposit date:2016-05-08
Release date:2016-07-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.842 Å)
Cite:New Insights into Human 17 beta-Hydroxysteroid Dehydrogenase Type 14: First Crystal Structures in Complex with a Steroidal Ligand and with a Potent Nonsteroidal Inhibitor.
J.Med.Chem., 59, 2016
5L7T
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BU of 5l7t by Molmil
17beta-hydroxysteroid dehydrogenase 14 variant T205 in complex with a non-steroidal inhibitor.
Descriptor: (4-fluoranyl-3-oxidanyl-phenyl)-[6-(3-methyl-4-oxidanyl-phenyl)pyridin-2-yl]methanone, 17-beta-hydroxysteroid dehydrogenase 14, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Bertoletti, N, Braun, F, Marchais-Oberwinkler, S, Heine, A, Klebe, G.
Deposit date:2016-06-03
Release date:2016-12-21
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.983 Å)
Cite:First Structure-Activity Relationship of 17 beta-Hydroxysteroid Dehydrogenase Type 14 Nonsteroidal Inhibitors and Crystal Structures in Complex with the Enzyme.
J. Med. Chem., 59, 2016
5EN4
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BU of 5en4 by Molmil
Complex of 17-beta-hydroxysteroid dehydrogenase type 14 with inhibitor.
Descriptor: 17-beta-hydroxysteroid dehydrogenase 14, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SODIUM ION, ...
Authors:Bertoletti, N, Braun, F, Marchais-Oberwinkler, S, Heine, A, Klebe, G.
Deposit date:2015-11-09
Release date:2016-11-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:First Structure-Activity Relationship of 17 beta-Hydroxysteroid Dehydrogenase Type 14 Nonsteroidal Inhibitors and Crystal Structures in Complex with the Enzyme.
J. Med. Chem., 59, 2016
5L7Y
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BU of 5l7y by Molmil
17beta-hydroxysteroid dehydrogenase 14 variant T205 in complex with a non-steroidal inhibitor.
Descriptor: (4-fluoranyl-3-oxidanyl-phenyl)-[6-(2-fluoranyl-3-oxidanyl-phenyl)pyridin-2-yl]methanone, 17-beta-hydroxysteroid dehydrogenase 14, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Bertoletti, N, Braun, F, Marchais-Oberwinkler, S, Heine, A, Klebe, G.
Deposit date:2016-06-04
Release date:2016-12-21
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.912 Å)
Cite:First Structure-Activity Relationship of 17 beta-Hydroxysteroid Dehydrogenase Type 14 Nonsteroidal Inhibitors and Crystal Structures in Complex with the Enzyme.
J. Med. Chem., 59, 2016
5L7W
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BU of 5l7w by Molmil
17beta-hydroxysteroid dehydrogenase 14 variant T205 in complex with a non-steroidal inhibitor.
Descriptor: 17-beta-hydroxysteroid dehydrogenase 14, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SODIUM ION, ...
Authors:Bertoletti, N, Braun, F, Marchais-Oberwinkler, S, Heine, A, Klebe, G.
Deposit date:2016-06-04
Release date:2016-12-21
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:First Structure-Activity Relationship of 17 beta-Hydroxysteroid Dehydrogenase Type 14 Nonsteroidal Inhibitors and Crystal Structures in Complex with the Enzyme.
J. Med. Chem., 59, 2016
6GWJ
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BU of 6gwj by Molmil
Human OSGEP / LAGE3 / GON7 complex
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, EKC/KEOPS complex subunit GON7, ...
Authors:Missoury, S, Liger, D, Durand, D, Collinet, B, Tilbeurgh, V.H.
Deposit date:2018-06-25
Release date:2019-07-03
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Defects in t 6 A tRNA modification due to GON7 and YRDC mutations lead to Galloway-Mowat syndrome.
Nat Commun, 10, 2019
5O72
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BU of 5o72 by Molmil
17beta-hydroxysteroid dehydrogenase 14 variant T205 in complex with a non-steroidal quinoline based inhibitor
Descriptor: 17-beta-hydroxysteroid dehydrogenase 14, 2-azanyl-~{N}-[2-(4-fluoranyl-3-oxidanyl-phenyl)carbonylquinolin-7-yl]ethanamide, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Bertoletti, N, Braun, F, Heine, A, Klebe, G, Marchais-Oberwinkler, S.
Deposit date:2017-06-07
Release date:2018-06-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Structure-based design and profiling of novel 17 beta-HSD14 inhibitors.
Eur J Med Chem, 155, 2018
5O6O
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BU of 5o6o by Molmil
17beta-hydroxysteroid dehydrogenase 14 variant T205 in complex with a non-steroidal 2,6-pyridinketone inhibitor
Descriptor: 17-beta-hydroxysteroid dehydrogenase 14, 2-fluoranyl-3-[6-(4-fluoranyl-3-oxidanyl-phenoxy)pyridin-2-yl]phenol, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Bertoletti, N, Heine, A, Braun, F, Klebe, G, Marchais-Oberwinkler, S.
Deposit date:2017-06-07
Release date:2018-06-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structure-based design and profiling of novel 17 beta-HSD14 inhibitors.
Eur J Med Chem, 155, 2018
5O7C
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BU of 5o7c by Molmil
17beta-hydroxysteroid dehydrogenase 14 variant T205 in complex with a non-steroidal quinoline based inhibitor
Descriptor: 17-beta-hydroxysteroid dehydrogenase 14, 2-(4-fluoranyl-3-oxidanyl-phenyl)carbonylquinoline-7-carbonitrile, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Bertoletti, N, Braun, F, Heine, A, Klebe, G, Marchais-Oberwinkler, S.
Deposit date:2017-06-08
Release date:2018-06-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure-based design and profiling of novel 17 beta-HSD14 inhibitors.
Eur J Med Chem, 155, 2018
5O43
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BU of 5o43 by Molmil
17beta-hydroxysteroid dehydrogenase 14 variant T205 in complex with a non-steroidal 2,6-pyridinketone inhibitor.
Descriptor: 17-beta-hydroxysteroid dehydrogenase 14, 2-fluoranyl-3-[6-[(4-fluoranyl-3-oxidanyl-phenyl)-methyl-amino]pyridin-2-yl]phenol, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Bertoletti, N, Heine, A, Braun, F, Klebe, G, Marchais-Oberwinkler, S.
Deposit date:2017-05-25
Release date:2018-06-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure-based design and profiling of novel 17 beta-HSD14 inhibitors.
Eur J Med Chem, 155, 2018
5O6X
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BU of 5o6x by Molmil
17beta-hydroxysteroid dehydrogenase 14 variant T205 in complex with a non-steroidal quinoline based inhibitor
Descriptor: (4-fluoranyl-3-oxidanyl-phenyl)-(6-methylquinolin-2-yl)methanone, 17-beta-hydroxysteroid dehydrogenase 14, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Bertoletti, N, Braun, F, Heine, A, Klebe, G, Marchais-Oberwinkler, S.
Deposit date:2017-06-07
Release date:2018-06-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Structure-based design and profiling of novel 17 beta-HSD14 inhibitors.
Eur J Med Chem, 155, 2018
5O42
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BU of 5o42 by Molmil
17beta-hydroxysteroid dehydrogenase 14 variant T205 in complex with a non-steroidal 2,6-pyridinketone inhibitor.
Descriptor: 17-beta-hydroxysteroid dehydrogenase 14, 2-fluoranyl-3-[6-[1-(4-fluoranyl-3-oxidanyl-phenyl)ethenyl]pyridin-2-yl]phenol, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Bertoletti, N, Heine, A, Braun, F, Klebe, G, Marchais-Oberwinkler, S.
Deposit date:2017-05-25
Release date:2018-06-06
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Structure-based design and profiling of novel 17 beta-HSD14 inhibitors.
Eur J Med Chem, 155, 2018
5O6Z
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BU of 5o6z by Molmil
17beta-hydroxysteroid dehydrogenase 14 variant T205 in complex with a non-steroidal quinoline based inhibitor
Descriptor: (4-fluoranyl-3-oxidanyl-phenyl)-quinolin-2-yl-methanone, 17-beta-hydroxysteroid dehydrogenase 14, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Bertoletti, N, Braun, F, Heine, A, Klebe, G, Marchais-Oberwinkler, S.
Deposit date:2017-06-07
Release date:2018-06-06
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Structure-based design and profiling of novel 17 beta-HSD14 inhibitors.
Eur J Med Chem, 155, 2018

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