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1QY7
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BU of 1qy7 by Molmil
The structure of the PII protein from the cyanobacteria Synechococcus sp. PCC 7942
Descriptor: NICKEL (II) ION, Nitrogen regulatory protein P-II, SULFATE ION
Authors:Xu, Y, Carr, P.D, Clancy, P, Garcia-Dominguez, M, Forchhammer, K, Florencio, F, Tandeau de Marsac, N, Vasudevan, S.G, Ollis, D.L.
Deposit date:2003-09-09
Release date:2003-09-23
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:The structures of the PII proteins from the cyanobacteria Synechococcus sp. PCC 7942 and Synechocystis sp. PCC 6803.
Acta Crystallogr.,Sect.D, 59, 2003
1UL3
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BU of 1ul3 by Molmil
Crystal Structure of PII from Synechocystis sp. PCC 6803
Descriptor: CALCIUM ION, GLYCEROL, Nitrogen regulatory protein P-II
Authors:Xu, Y, Carr, P.D, Clancy, P, Garcia-Dominguez, M, Forchhammer, K, Florencio, F, Tandeau de Marsac, N, Vasudevan, S.G, Ollis, D.L.
Deposit date:2003-09-09
Release date:2003-12-16
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:The structures of the PII proteins from the cyanobacteria Synechococcus sp. PCC 7942 and Synechocystis sp. PCC 6803.
Acta Crystallogr.,Sect.D, 59, 2003
4XZH
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BU of 4xzh by Molmil
Crystal structure of human Aldose Reductase complexed with NADP+ and JF0048
Descriptor: Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, [3-(4-chloro-3-nitrobenzyl)-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl]acetic acid
Authors:Cousido-Siah, A, Ruiz, F.X, Mitschler, A, Dominguez, M, de Lera, A.R, Farres, J, Pares, X, Podjarny, A.
Deposit date:2015-02-04
Release date:2015-11-18
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1 Å)
Cite:Structural Determinants of the Selectivity of 3-Benzyluracil-1-acetic Acids toward Human Enzymes Aldose Reductase and AKR1B10.
Chemmedchem, 10, 2015
4XZL
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BU of 4xzl by Molmil
Crystal structure of human AKR1B10 complexed with NADP+ and JF0049
Descriptor: 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member B10, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Cousido-Siah, A, Ruiz, F.X, Mitschler, A, Dominguez, M, de Lera, A.R, Farres, J, Pares, X, Podjarny, A.
Deposit date:2015-02-04
Release date:2015-11-18
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural Determinants of the Selectivity of 3-Benzyluracil-1-acetic Acids toward Human Enzymes Aldose Reductase and AKR1B10.
Chemmedchem, 10, 2015
4XZI
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BU of 4xzi by Molmil
Crystal structure of human Aldose Reductase complexed with NADP+ and JF0049
Descriptor: Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, [2,4-dioxo-3-(2,3,4,5-tetrabromo-6-methoxybenzyl)-3,4-dihydropyrimidin-1(2H)-yl]acetic acid
Authors:Cousido-Siah, A, Ruiz, F.X, Mitschler, A, Dominguez, M, de Lera, A.R, Farres, J, Pares, X, Podjarny, A.
Deposit date:2015-02-04
Release date:2015-11-18
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Structural Determinants of the Selectivity of 3-Benzyluracil-1-acetic Acids toward Human Enzymes Aldose Reductase and AKR1B10.
Chemmedchem, 10, 2015
1ZUA
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BU of 1zua by Molmil
Crystal Structure Of AKR1B10 Complexed With NADP+ And Tolrestat
Descriptor: Aldo-keto reductase family 1 member B10, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, TOLRESTAT
Authors:Gallego, O, Ruiz, F.X, Ardevol, A, Dominguez, M, Alvarez, R, de Lera, A.R, Rovira, C, Farres, J, Fita, I, Pares, X.
Deposit date:2005-05-30
Release date:2006-11-07
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Structural basis for the high all-trans-retinaldehyde reductase activity of the tumor marker AKR1B10.
Proc.Natl.Acad.Sci.USA, 104, 2007
5M6U
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BU of 5m6u by Molmil
HUMAN PI3KDELTA IN COMPLEX WITH LASW1579
Descriptor: 4-azanyl-6-[[(1~{S})-1-(4-oxidanylidene-3-phenyl-pyrrolo[2,1-f][1,2,4]triazin-2-yl)ethyl]amino]pyrimidine-5-carbonitrile, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
Authors:Segarra, V, Hernandez, B, Lozoya, E, Blaesse, M, Hoeppner, S, Jestel, A.
Deposit date:2016-10-26
Release date:2017-02-01
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Discovery of a Potent, Selective, and Orally Available PI3K delta Inhibitor for the Treatment of Inflammatory Diseases.
ACS Med Chem Lett, 8, 2017
6G6W
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BU of 6g6w by Molmil
HUMAN PI3KDELTA IN COMPLEX WITH LIGAND LASW1976
Descriptor: Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, ~{N}-[3-[4-[[(1~{S})-1-(5-methyl-4-oxidanylidene-3-phenyl-pyrrolo[2,1-f][1,2,4]triazin-2-yl)ethyl]amino]-7~{H}-pyrrolo[ 2,3-d]pyrimidin-5-yl]-5-oxidanyl-phenyl]methanesulfonamide
Authors:Segarra, V, Hernandez, B, Jestel, A, Mortel, M, Nagel, S.
Deposit date:2018-04-03
Release date:2018-11-07
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.72 Å)
Cite:Discovery of a Novel Inhaled PI3K delta Inhibitor for the Treatment of Respiratory Diseases.
J. Med. Chem., 61, 2018
3HRB
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BU of 3hrb by Molmil
p38 kinase Crystal structure in complex with small molecule inhibitor
Descriptor: Mitogen-activated protein kinase 14, [3-amino-2-(2-methylphenyl)-1-oxidopyridin-4-yl](2,4-difluorophenyl)methanone
Authors:Segarra, V, Lumeras, W, Vidal, B, Leonard, P, Fisher, M, Lamers, M.
Deposit date:2009-06-09
Release date:2009-09-01
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Design, synthesis, and structure-activity relationships of aminopyridine N-oxides, a novel scaffold for the potent and selective inhibition of p38 mitogen activated protein kinase
J.Med.Chem., 52, 2009
3MW1
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BU of 3mw1 by Molmil
p38 kinase Crystal structure in complex with small molecule inhibitor
Descriptor: 8-(2,6-dichlorophenyl)-4-(2,4-difluorophenyl)-2-piperidin-4-yl-1,7-naphthyridine 7-oxide, Mitogen-activated protein kinase 14
Authors:Segarra, V, Caturla, F, Lumeras, W, Roca, R, Fisher, M, Lamers, M.
Deposit date:2010-05-05
Release date:2011-04-27
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:1,7-Naphthyridine 1-Oxides as Novel Potent and Selective Inhibitors of p38 Mitogen Activated Protein Kinase
J.Med.Chem., 54, 2011
3S3I
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BU of 3s3i by Molmil
p38 kinase crystal structure in complex with small molecule inhibitor
Descriptor: 3-(3-tert-butyl[1,2,4]triazolo[4,3-a]pyridin-7-yl)-N-cyclopropyl-4-methylbenzamide, Mitogen-activated protein kinase 14
Authors:Segarra, V, Aiguade, J, Roca, R, Fisher, M, Lamers, M.
Deposit date:2011-05-18
Release date:2012-04-04
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Novel triazolopyridylbenzamides as potent and selective p38 alpha inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
3RIN
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BU of 3rin by Molmil
p38 kinase crystal structure in complex with small molecule inhibitor
Descriptor: Mitogen-activated protein kinase 14, N-cyclopropyl-4-methyl-3-(2'-oxo-1',2'-dihydrospiro[cyclopentane-1,3'-indol]-6'-yl)benzamide
Authors:Segarra, V, Eastwood, P, Roca, R, Fisher, M, Lamers, M.
Deposit date:2011-04-14
Release date:2012-02-29
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Indolin-2-one p38(alpha) inhibitors I: design, profiling and crystallographic binding mode.
Bioorg.Med.Chem.Lett., 21, 2011
4XZN
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BU of 4xzn by Molmil
Crystal structure of the methylated K125R/V301L AKR1B10 Holoenzyme
Descriptor: 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member B10, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Cousido-Siah, A, Ruiz, F.X, Mitschler, A, Podjarny, A.
Deposit date:2015-02-04
Release date:2015-11-18
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural Determinants of the Selectivity of 3-Benzyluracil-1-acetic Acids toward Human Enzymes Aldose Reductase and AKR1B10.
Chemmedchem, 10, 2015
4XZM
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BU of 4xzm by Molmil
Crystal structure of the methylated wild-type AKR1B10 holoenzyme
Descriptor: 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member B10, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Cousido-Siah, A, Ruiz, F.X, Mitschler, A, Podjarny, A.
Deposit date:2015-02-04
Release date:2015-11-18
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural Determinants of the Selectivity of 3-Benzyluracil-1-acetic Acids toward Human Enzymes Aldose Reductase and AKR1B10.
Chemmedchem, 10, 2015
5M2F
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BU of 5m2f by Molmil
Crystal structure of human AKR1B10 complexed with NADP+ and the synthetic retinoid UVI2008
Descriptor: 1,2-ETHANEDIOL, 3-bromo-4-[(1E)-2-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)prop-1-en-1-yl]benzoic acid, Aldo-keto reductase family 1 member B10, ...
Authors:Ruiz, F.X, Cousido-Siah, A, Mitschler, A, Porte, S, Alvarez, S, Dominguez, M, Alvarez, R, de Lera, A.R, Pares, X, Farres, J, Podjarny, A.
Deposit date:2016-10-12
Release date:2017-02-15
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.503 Å)
Cite:Structural basis for the inhibition of AKR1B10 by the C3 brominated TTNPB derivative UVI2008.
Chem. Biol. Interact., 276, 2017

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