8OLU
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![BU of 8olu by Molmil](/molmil-images/mine/8olu) | |
7Q7L
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7Q7K
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![BU of 7q7k by Molmil](/molmil-images/mine/7q7k) | JAK2 in complex with 4-(2-amino-8-methoxyquinazolin-6-yl)phenol | Descriptor: | 4-(2-azanyl-8-methoxy-quinazolin-6-yl)phenol, Tyrosine-protein kinase JAK2 | Authors: | Rowland, P. | Deposit date: | 2021-11-09 | Release date: | 2022-02-02 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Investigation of Janus Kinase (JAK) Inhibitors for Lung Delivery and the Importance of Aldehyde Oxidase Metabolism. J.Med.Chem., 65, 2022
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7Q7I
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7Q7W
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6GJG
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![BU of 6gjg by Molmil](/molmil-images/mine/6gjg) | Plasmodium falciparum dihydroorotate dehydrogenase DHODH in complex with 3,6-dimethyl-N-(4-(trifluoromethyl)phenyl)-(1,2)oxazolo(5,4-d)pyrimidin-4-amine | Descriptor: | 3,6-dimethyl-~{N}-[4-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine, Dihydroorotate dehydrogenase (quinone), mitochondrial, ... | Authors: | Rowland, P. | Deposit date: | 2018-05-16 | Release date: | 2018-09-19 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Isoxazolopyrimidine-Based Inhibitors ofPlasmodium falciparumDihydroorotate Dehydrogenase with Antimalarial Activity. ACS Omega, 3, 2018
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7AX4
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5L72
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1EP3
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![BU of 1ep3 by Molmil](/molmil-images/mine/1ep3) | CRYSTAL STRUCTURE OF LACTOCOCCUS LACTIS DIHYDROOROTATE DEHYDROGENASE B. DATA COLLECTED UNDER CRYOGENIC CONDITIONS. | Descriptor: | DIHYDROOROTATE DEHYDROGENASE B (PYRD SUBUNIT), DIHYDROOROTATE DEHYDROGENASE B (PYRK SUBUNIT), FE2/S2 (INORGANIC) CLUSTER, ... | Authors: | Rowland, P, Norager, S, Jensen, K.F, Larsen, S. | Deposit date: | 2000-03-27 | Release date: | 2001-01-17 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure of dihydroorotate dehydrogenase B: electron transfer between two flavin groups bridged by an iron-sulphur cluster. Structure Fold.Des., 8, 2000
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7POT
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![BU of 7pot by Molmil](/molmil-images/mine/7pot) | PI3 kinase delta in complex with N-[5-(3,6-dihydro-2H-pyran-4-yl)-2-methoxypyridin-3-yl]benzenesulfonamide | Descriptor: | N-[5-(3,6-dihydro-2H-pyran-4-yl)-2-methoxy-pyridin-3-yl]benzenesulfonamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | Authors: | Rowland, P, Convery, M. | Deposit date: | 2021-09-09 | Release date: | 2021-09-29 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.391 Å) | Cite: | Discovery of GSK251: A Highly Potent, Highly Selective, Orally Bioavailable Inhibitor of PI3K delta with a Novel Binding Mode. J.Med.Chem., 64, 2021
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7POR
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7POS
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![BU of 7pos by Molmil](/molmil-images/mine/7pos) | PI3 kinase delta in complex with 5-(3,6-dihydro-2H-pyran-4-yl)-2-methoxy-N-(5-{3-[4-(propan-2-yl)piperazin-1-yl]prop-1-yn-1-yl}pyridin-3-yl)pyridine-3-sulfonamide | Descriptor: | 5-(3,6-dihydro-2~{H}-pyran-4-yl)-2-methoxy-~{N}-[5-[3-(4-propan-2-ylpiperazin-1-yl)prop-1-ynyl]pyridin-3-yl]pyridine-3-sulfonamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | Authors: | Rowland, P, Convery, M. | Deposit date: | 2021-09-09 | Release date: | 2021-09-29 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.493 Å) | Cite: | Discovery of GSK251: A Highly Potent, Highly Selective, Orally Bioavailable Inhibitor of PI3K delta with a Novel Binding Mode. J.Med.Chem., 64, 2021
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7POP
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![BU of 7pop by Molmil](/molmil-images/mine/7pop) | PI3 kinase delta in complex with 5-[3,6-dihydro-2H-pyran-4-yl]-2-methoxy-N-[2-methylpyridin-4-yl]pyridine-3-sulfonamide | Descriptor: | 5-[3,6-dihydro-2H-pyran-4-yl]-2-methoxy-N-[2-methylpyridin-4-yl]pyridine-3-sulfonamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | Authors: | Rowland, P, Convery, M. | Deposit date: | 2021-09-09 | Release date: | 2021-09-29 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.491 Å) | Cite: | Discovery of GSK251: A Highly Potent, Highly Selective, Orally Bioavailable Inhibitor of PI3K delta with a Novel Binding Mode. J.Med.Chem., 64, 2021
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6QM8
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![BU of 6qm8 by Molmil](/molmil-images/mine/6qm8) | Leishmania tarentolae proteasome 20S subunit apo structure | Descriptor: | Proteasome alpha1 chain, Proteasome alpha2 chain, Proteasome alpha3 chain, ... | Authors: | Rowland, P, Goswami, P. | Deposit date: | 2019-02-01 | Release date: | 2019-04-17 | Last modified: | 2019-12-18 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Preclinical candidate for the treatment of visceral leishmaniasis that acts through proteasome inhibition. Proc.Natl.Acad.Sci.USA, 116, 2019
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6QM7
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5NAB
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5NAH
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5NAE
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5NAG
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5NA5
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![BU of 5na5 by Molmil](/molmil-images/mine/5na5) | Pseudomonas fluorescens kynurenine 3-monooxygenase (KMO) apo structure | Descriptor: | CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | Authors: | Rowland, P. | Deposit date: | 2017-02-27 | Release date: | 2017-06-21 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Structural and mechanistic basis of differentiated inhibitors of the acute pancreatitis target kynurenine-3-monooxygenase. Nat Commun, 8, 2017
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1DOR
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![BU of 1dor by Molmil](/molmil-images/mine/1dor) | DIHYDROOROTATE DEHYDROGENASE A FROM LACTOCOCCUS LACTIS | Descriptor: | DIHYDROOROTATE DEHYDROGENASE A, FLAVIN MONONUCLEOTIDE | Authors: | Rowland, P, Larsen, S. | Deposit date: | 1997-01-14 | Release date: | 1997-04-21 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The crystal structure of the flavin containing enzyme dihydroorotate dehydrogenase A from Lactococcus lactis. Structure, 5, 1997
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1EP2
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![BU of 1ep2 by Molmil](/molmil-images/mine/1ep2) | CRYSTAL STRUCTURE OF LACTOCOCCUS LACTIS DIHYDROOROTATE DEHYDROGENASE B COMPLEXED WITH OROTATE | Descriptor: | DIHYDROOROTATE DEHYDROGENASE B (PYRD SUBUNIT), DIHYDROOROTATE DEHYDROGENASE B (PYRK SUBUNIT), FE2/S2 (INORGANIC) CLUSTER, ... | Authors: | Rowland, P, Norager, S, Jensen, K.F, Larsen, S. | Deposit date: | 2000-03-27 | Release date: | 2001-01-17 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure of dihydroorotate dehydrogenase B: electron transfer between two flavin groups bridged by an iron-sulphur cluster. Structure Fold.Des., 8, 2000
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1EP1
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![BU of 1ep1 by Molmil](/molmil-images/mine/1ep1) | CRYSTAL STRUCTURE OF LACTOCOCCUS LACTIS DIHYDROOROTATE DEHYDROGENASE B | Descriptor: | DIHYDROOROTATE DEHYDROGENASE B (PYRD SUBUNIT), DIHYDROOROTATE DEHYDROGENASE B (PYRK SUBUNIT), FE2/S2 (INORGANIC) CLUSTER, ... | Authors: | Rowland, P, Norager, S, Jensen, K.F, Larsen, S. | Deposit date: | 2000-03-27 | Release date: | 2001-01-17 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure of dihydroorotate dehydrogenase B: electron transfer between two flavin groups bridged by an iron-sulphur cluster. Structure Fold.Des., 8, 2000
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4CQ8
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![BU of 4cq8 by Molmil](/molmil-images/mine/4cq8) | Plasmodium falciparum dihydroorotate dehydrogenase (DHODH) in complex with Genz-669178 | Descriptor: | 5-(4-cyano-2-methyl-1H-benzimidazol-1-yl)-N-cyclopropylthiophene-2-carboxamide, DIHYDROOROTATE DEHYDROGENASE, FLAVIN MONONUCLEOTIDE, ... | Authors: | Rowland, P. | Deposit date: | 2014-02-12 | Release date: | 2014-04-30 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | In Vitro Resistance Selections for Plasmodium Falciparum Dihydroorotate Dehydrogenase Inhibitors Give Mutants with Multiple Point Mutations in the Drug-Binding Site and Altered Growth. J.Biol.Chem., 289, 2014
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4CQ9
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![BU of 4cq9 by Molmil](/molmil-images/mine/4cq9) | Plasmodium falciparum dihydroorotate dehydrogenase (DHODH) in complex with IDI-6253 | Descriptor: | 6-(3,4-dihydroisoquinolin-2(1H)-yl)-3-methyl-[1,2,4]triazolo[3,4-a]phthalazine, DIHYDROOROTATE DEHYDROGENASE, FLAVIN MONONUCLEOTIDE, ... | Authors: | Rowland, P. | Deposit date: | 2014-02-12 | Release date: | 2014-04-30 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.72 Å) | Cite: | In Vitro Resistance Selections for Plasmodium Falciparum Dihydroorotate Dehydrogenase Inhibitors Give Mutants with Multiple Point Mutations in the Drug-Binding Site and Altered Growth. J.Biol.Chem., 289, 2014
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