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2XKJ
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BU of 2xkj by Molmil
CRYSTAL STRUCTURE OF CATALYTIC CORE OF A. BAUMANNII TOPO IV (PARE- PARC FUSION TRUNCATE)
Descriptor: GLYCEROL, SULFATE ION, TOPOISOMERASE IV
Authors:Wohlkonig, A, Chan, P.F, Fosberry, A.P, Homes, P, Huang, J, Kranz, M, Leydon, V.R, Miles, T.J, Pearson, N.D, Perera, R.L, Shillings, A.J, Gwynn, M.N, Bax, B.D.
Deposit date:2010-07-08
Release date:2010-09-01
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural Basis of Quinolone Inhibition of Type Iia Topoisomerases and Target-Mediated Resistance
Nat.Struct.Mol.Biol., 17, 2010
2XKK
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BU of 2xkk by Molmil
CRYSTAL STRUCTURE OF MOXIFLOXACIN, DNA, and A. BAUMANNII TOPO IV (PARE-PARC FUSION TRUNCATE)
Descriptor: 1-cyclopropyl-6-fluoro-8-methoxy-7-[(4aS,7aS)-octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, DNA, MAGNESIUM ION, ...
Authors:Wohlkonig, A, Chan, P.F, Fosberry, A.P, Homes, P, Huang, J, Kranz, M, Leydon, V.R, Miles, T.J, Pearson, N.D, Perera, R.L, Shillings, A.J, Gwynn, M.N, Bax, B.D.
Deposit date:2010-07-08
Release date:2010-09-01
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:Structural Basis of Quinolone Inhibition of Type Iia Topoisomerases and Target-Mediated Resistance
Nat.Struct.Mol.Biol., 17, 2010
3HMV
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BU of 3hmv by Molmil
Catalytic domain of human phosphodiesterase 4B2B in complex with a tetrahydrobenzothiophene inhibitor
Descriptor: (6S)-6-methyl-2-{[(2-nitrophenyl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, GLYCEROL, MAGNESIUM ION, ...
Authors:Somers, D.O, Neu, M.
Deposit date:2009-05-29
Release date:2010-06-09
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Identification of PDE4B Over 4D subtype-selective inhibitors revealing an unprecedented binding mode
Bioorg.Med.Chem., 17, 2009
5N7T
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BU of 5n7t by Molmil
Pseudomonas fluorescens kynurenine 3-monooxygenase (KMO) in complex with 3-(5,6-dichloro-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanoic acid
Descriptor: 3-(5,6-DICHLORO-2-OXOBENZO[D]OXAZOL-3(2H)-YL)PROPANOIC ACID, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Rowland, P.
Deposit date:2017-02-21
Release date:2017-06-14
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:The discovery of potent and selective kynurenine 3-monooxygenase inhibitors for the treatment of acute pancreatitis.
Bioorg. Med. Chem. Lett., 27, 2017
3O57
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BU of 3o57 by Molmil
Catalytic domain of human phosphodiesterase 4b2b in complex with a 5-heterocycle pyrazolopyridine inhibitor
Descriptor: 5-[5-benzyl-4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-oxazol-2-yl]-1-ethyl-N-(tetrahydro-2H-pyran-4-yl)-1H-pyrazolo[3,4-b]pyridin-4-amine, ARSENIC, GLYCEROL, ...
Authors:Somers, D.O, Neu, M.
Deposit date:2010-07-28
Release date:2011-08-03
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Pyrazolopyridines as potent PDE4B inhibitors: 5-heterocycle SAR.
Bioorg.Med.Chem.Lett., 20, 2010
3O56
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BU of 3o56 by Molmil
Catalytic domain of human phosphodiesterase 4b2b in complex with a 5-heterocycle pyrazolopyridine inhibitor
Descriptor: 1-ethyl-5-[3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,2,4-oxadiazol-5-yl]-N-(tetrahydro-2H-pyran-4-yl)-1H-pyrazolo[3,4-b]pyridin-4-amine, ARSENIC, GLYCEROL, ...
Authors:Somers, D.O, Neu, M.
Deposit date:2010-07-28
Release date:2011-08-03
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Pyrazolopyridines as potent PDE4B inhibitors: 5-heterocycle SAR.
Bioorg.Med.Chem.Lett., 20, 2010
3FRG
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BU of 3frg by Molmil
Catalytic Domain of Human Phosphodiesterase 4B2B in Complex with a Quinoline Inhibitor
Descriptor: 4-[(3-methoxyphenyl)amino]-6-(methylsulfonyl)quinoline-3-carboxamide, ARSENIC, GLYCEROL, ...
Authors:Somers, D.O, Neu, M.
Deposit date:2009-01-08
Release date:2010-01-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Quinolines as a novel structural class of potent and selective PDE4 inhibitors: optimisation for oral administration.
Bioorg.Med.Chem.Lett., 19, 2009
3GWT
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BU of 3gwt by Molmil
Catalytic domain of human phosphodiesterase 4B2B in complex with a quinoline inhibitor
Descriptor: 6-{[3-(dimethylcarbamoyl)phenyl]sulfonyl}-4-[(3-methoxyphenyl)amino]-8-methylquinoline-3-carboxamide, ARSENIC, GLYCEROL, ...
Authors:Somers, D.O, Neu, M.
Deposit date:2009-04-01
Release date:2010-04-07
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Quinolines as a novel structural class of potent and selective PDE4 inhibitors. Optimisation for inhaled administration.
Bioorg.Med.Chem.Lett., 19, 2009

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