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CRYSTAL STRUCTURE OF LACTOCOCCUS LACTIS DIHYDROOROTATE DEHYDROGENASE B. DATA COLLECTED UNDER CRYOGENIC CONDITIONS.
分子名称:	DIHYDROOROTATE DEHYDROGENASE B (PYRD SUBUNIT), DIHYDROOROTATE DEHYDROGENASE B (PYRK SUBUNIT), FE2/S2 (INORGANIC) CLUSTER, ...
著者	Rowland, P, Norager, S, Jensen, K.F, Larsen, S.
登録日	2000-03-27
公開日	2001-01-17
最終更新日	2023-08-09
実験手法	X-RAY DIFFRACTION (2.1 Å)
主引用文献	Structure of dihydroorotate dehydrogenase B: electron transfer between two flavin groups bridged by an iron-sulphur cluster. Structure Fold.Des., 8, 2000

2F9Q

Crystal Structure of Human Cytochrome P450 2D6
分子名称:	Cytochrome P450 2D6, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
著者	Rowland, P.
登録日	2005-12-06
公開日	2005-12-20
最終更新日	2024-02-14
実験手法	X-RAY DIFFRACTION (3.002 Å)
主引用文献	Crystal Structure of Human Cytochrome P450 2D6 J.Biol.Chem., 281, 2006

1DOR

DIHYDROOROTATE DEHYDROGENASE A FROM LACTOCOCCUS LACTIS
分子名称:	DIHYDROOROTATE DEHYDROGENASE A, FLAVIN MONONUCLEOTIDE
著者	Rowland, P, Larsen, S.
登録日	1997-01-14
公開日	1997-04-21
最終更新日	2024-02-07
実験手法	X-RAY DIFFRACTION (2 Å)
主引用文献	The crystal structure of the flavin containing enzyme dihydroorotate dehydrogenase A from Lactococcus lactis. Structure, 5, 1997

1EP2

CRYSTAL STRUCTURE OF LACTOCOCCUS LACTIS DIHYDROOROTATE DEHYDROGENASE B COMPLEXED WITH OROTATE
分子名称:	DIHYDROOROTATE DEHYDROGENASE B (PYRD SUBUNIT), DIHYDROOROTATE DEHYDROGENASE B (PYRK SUBUNIT), FE2/S2 (INORGANIC) CLUSTER, ...
著者	Rowland, P, Norager, S, Jensen, K.F, Larsen, S.
登録日	2000-03-27
公開日	2001-01-17
最終更新日	2024-02-07
実験手法	X-RAY DIFFRACTION (2.4 Å)
主引用文献	Structure of dihydroorotate dehydrogenase B: electron transfer between two flavin groups bridged by an iron-sulphur cluster. Structure Fold.Des., 8, 2000

1EP1

CRYSTAL STRUCTURE OF LACTOCOCCUS LACTIS DIHYDROOROTATE DEHYDROGENASE B
分子名称:	DIHYDROOROTATE DEHYDROGENASE B (PYRD SUBUNIT), DIHYDROOROTATE DEHYDROGENASE B (PYRK SUBUNIT), FE2/S2 (INORGANIC) CLUSTER, ...
著者	Rowland, P, Norager, S, Jensen, K.F, Larsen, S.
登録日	2000-03-27
公開日	2001-01-17
最終更新日	2024-02-07
実験手法	X-RAY DIFFRACTION (2.2 Å)
主引用文献	Structure of dihydroorotate dehydrogenase B: electron transfer between two flavin groups bridged by an iron-sulphur cluster. Structure Fold.Des., 8, 2000

2DOR

DIHYDROOROTATE DEHYDROGENASE A FROM LACTOCOCCUS LACTIS COMPLEXED WITH OROTATE
分子名称:	DIHYDROOROTATE DEHYDROGENASE A, FLAVIN MONONUCLEOTIDE, OROTIC ACID
著者	Rowland, P, Larsen, S.
登録日	1998-05-11
公開日	1998-08-12
最終更新日	2024-02-14
実験手法	X-RAY DIFFRACTION (2 Å)
主引用文献	The crystal structure of Lactococcus lactis dihydroorotate dehydrogenase A complexed with the enzyme reaction product throws light on its enzymatic function. Protein Sci., 7, 1998

8OLU

Leishmania tarentolae proteasome 20S subunit in complex with 1-Benzyl-N-(3-(cyclopropylcarbamoyl)phenyl)-6-oxo-1,6-dihydropyridazine-3-carboxamide
分子名称:	Proteasome alpha 1 subunit, putative, Proteasome alpha 5 subunit, ...
著者	Rowland, P.
登録日	2023-03-30
公開日	2023-08-09
最終更新日	2023-08-23
実験手法	ELECTRON MICROSCOPY (2.59 Å)
主引用文献	Structure-Guided Design and Synthesis of a Pyridazinone Series of Trypanosoma cruzi Proteasome Inhibitors. J.Med.Chem., 66, 2023

7Q7W

JAK2 in complex with 4-(2-{[5-(dimethylamino)pentyl]amino}-8-{[(2S)-1-hydroxypropan-2-yl]amino}quinazolin-6-yl)-5-ethyl-2-fluorophenol
分子名称:	4-[2-[5-(dimethylamino)pentylamino]-8-[[(2~{S})-1-oxidanylpropan-2-yl]amino]quinazolin-6-yl]-5-ethyl-2-fluoranyl-phenol, Tyrosine-protein kinase JAK2
著者	Rowland, P.
登録日	2021-11-09
公開日	2022-02-02
実験手法	X-RAY DIFFRACTION (1.85 Å)
主引用文献	Investigation of Janus Kinase (JAK) Inhibitors for Lung Delivery and the Importance of Aldehyde Oxidase Metabolism. J.Med.Chem., 65, 2022

7Q7I

JAK2 in complex with 4-{8-methoxy-2-[(1-methyl-1H-pyrazol-4-yl)amino]quinazolin-6-yl}phenol
分子名称:	4-[8-methoxy-2-[(1-methylpyrazol-4-yl)amino]quinazolin-6-yl]phenol, Tyrosine-protein kinase JAK2
著者	Rowland, P.
登録日	2021-11-09
公開日	2022-02-02
実験手法	X-RAY DIFFRACTION (1.78 Å)
主引用文献	Investigation of Janus Kinase (JAK) Inhibitors for Lung Delivery and the Importance of Aldehyde Oxidase Metabolism. J.Med.Chem., 65, 2022

7Q7K

JAK2 in complex with 4-(2-amino-8-methoxyquinazolin-6-yl)phenol
分子名称:	4-(2-azanyl-8-methoxy-quinazolin-6-yl)phenol, Tyrosine-protein kinase JAK2
著者	Rowland, P.
登録日	2021-11-09
公開日	2022-02-02
実験手法	X-RAY DIFFRACTION (1.61 Å)
主引用文献	Investigation of Janus Kinase (JAK) Inhibitors for Lung Delivery and the Importance of Aldehyde Oxidase Metabolism. J.Med.Chem., 65, 2022

7Q7L

JAK2 in complex with 4-(2-amino-8-{[(2S)-1-hydroxypropan-2-yl]amino}quinazolin-6-yl)-5-ethyl-2-fluorophenol
分子名称:	4-[2-azanyl-8-[[(2~{S})-1-oxidanylpropan-2-yl]amino]quinazolin-6-yl]-5-ethyl-2-fluoranyl-phenol, GLYCEROL, Tyrosine-protein kinase JAK2
著者	Rowland, P.
登録日	2021-11-09
公開日	2022-02-02
実験手法	X-RAY DIFFRACTION (1.97 Å)
主引用文献	Investigation of Janus Kinase (JAK) Inhibitors for Lung Delivery and the Importance of Aldehyde Oxidase Metabolism. J.Med.Chem., 65, 2022

7AX4

Human TYK2 pseudokinase domain (575-869) in complex with 5-(4-Fluoro-phenyl)-2-ureido-thiophene-3-carboxylic acid amide.
分子名称:	2-(carbamoylamino)-5-(4-fluorophenyl)thiophene-3-carboxamide, CALCIUM ION, Non-receptor tyrosine-protein kinase TYK2
著者	Rowland, P.
登録日	2020-11-09
公開日	2021-04-14
最終更新日	2021-06-02
実験手法	X-RAY DIFFRACTION (2.12 Å)
主引用文献	Reducing False Positives through the Application of Fluorescence Lifetime Technology: A Comparative Study Using TYK2 Kinase as a Model System. SLAS Discov, 26, 2021

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
分子名称:	3,6-dimethyl-~{N}-[4-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine, Dihydroorotate dehydrogenase (quinone), mitochondrial, ...
著者	Rowland, P.
登録日	2018-05-16
公開日	2018-09-19
実験手法	X-RAY DIFFRACTION (1.99 Å)
主引用文献	Isoxazolopyrimidine-Based Inhibitors ofPlasmodium falciparumDihydroorotate Dehydrogenase with Antimalarial Activity. ACS Omega, 3, 2018

1DPG

GLUCOSE 6-PHOSPHATE DEHYDROGENASE FROM LEUCONOSTOC MESENTEROIDES
分子名称:	GLUCOSE 6-PHOSPHATE DEHYDROGENASE, PHOSPHATE ION
著者	Adams, M.J, Rowland, P, Gover, S.
登録日	1995-12-04
公開日	1996-03-08
最終更新日	2024-02-07
実験手法	X-RAY DIFFRACTION (2 Å)
主引用文献	The three-dimensional structure of glucose 6-phosphate dehydrogenase from Leuconostoc mesenteroides refined at 2.0 A resolution. Structure, 2, 1994

5NAB

Pseudomonas fluorescens kynurenine 3-monooxygenase (KMO) in complex with 3-(5-chloro-6-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanoic acid
分子名称:	3-(5-chloranyl-6-methyl-2-oxidanylidene-1,3-benzoxazol-3-yl)propanoic acid, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者	Rowland, P.
登録日	2017-02-27
公開日	2017-06-21
実験手法	X-RAY DIFFRACTION (1.63 Å)
主引用文献	Structural and mechanistic basis of differentiated inhibitors of the acute pancreatitis target kynurenine-3-monooxygenase. Nat Commun, 8, 2017

5NAH

Pseudomonas fluorescens kynurenine 3-monooxygenase (KMO) in complex with 3-{5-chloro-6-[(1R)-1-(6-methylpyridazin-3-yl)ethoxy]-1,2-benzoxazol-3-yl}propanoic acid
分子名称:	3-[5-chloranyl-6-[(1~{R})-1-(6-methylpyridazin-3-yl)ethoxy]-1,2-benzoxazol-3-yl]propanoic acid, FLAVIN-ADENINE DINUCLEOTIDE, Kynurenine 3-monooxygenase
著者	Rowland, P.
登録日	2017-02-27
公開日	2017-06-21
最終更新日	2017-07-19
実験手法	X-RAY DIFFRACTION (1.75 Å)
主引用文献	Structural and mechanistic basis of differentiated inhibitors of the acute pancreatitis target kynurenine-3-monooxygenase. Nat Commun, 8, 2017

5NAE

Pseudomonas fluorescens kynurenine 3-monooxygenase (KMO) in complex with 3-{5-chloro-2-oxo-6-[(1R)-1-(pyridin-2-yl)ethoxy]-2,3-dihydro-1,3-benzoxazol-3-yl}propanoic acid
分子名称:	3-[5-chloranyl-2-oxidanylidene-6-[(1~{R})-1-pyridin-2-ylethoxy]-1,3-benzoxazol-3-yl]propanoic acid, FLAVIN-ADENINE DINUCLEOTIDE, Kynurenine 3-monooxygenase
著者	Rowland, P.
登録日	2017-02-27
公開日	2017-06-21
実験手法	X-RAY DIFFRACTION (1.76 Å)
主引用文献	Structural and mechanistic basis of differentiated inhibitors of the acute pancreatitis target kynurenine-3-monooxygenase. Nat Commun, 8, 2017

5NAG

Pseudomonas fluorescens kynurenine 3-monooxygenase (KMO) in complex with 3-{5-chloro-6-[(1R)-1-(pyridin-2-yl)ethoxy]-1,2-benzoxazol-3-yl}propanoic acid
分子名称:	3-[5-chloranyl-6-[(1~{R})-1-pyridin-2-ylethoxy]-1,2-benzoxazol-3-yl]propanoic acid, FLAVIN-ADENINE DINUCLEOTIDE, Kynurenine 3-monooxygenase
著者	Rowland, P.
登録日	2017-02-27
公開日	2017-06-21
実験手法	X-RAY DIFFRACTION (1.68 Å)
主引用文献	Structural and mechanistic basis of differentiated inhibitors of the acute pancreatitis target kynurenine-3-monooxygenase. Nat Commun, 8, 2017

5NA5

Pseudomonas fluorescens kynurenine 3-monooxygenase (KMO) apo structure
分子名称:	CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
著者	Rowland, P.
登録日	2017-02-27
公開日	2017-06-21
実験手法	X-RAY DIFFRACTION (1.94 Å)
主引用文献	Structural and mechanistic basis of differentiated inhibitors of the acute pancreatitis target kynurenine-3-monooxygenase. Nat Commun, 8, 2017

7POR

PI3 kinase delta in complex with N-[2-(2-fluoro-4-{[4-(propan-2-yl)piperazin-1-yl]methyl}phenyl)pyridin-4-yl]-2-methoxy-5-(morpholin-4-yl)pyridine-3-sulfonamide
分子名称:	Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, ~{N}-[2-[2-fluoranyl-4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]pyridin-4-yl]-2-methoxy-5-morpholin-4-yl-pyridine-3-sulfonamide
著者	Rowland, P, Convery, M.
登録日	2021-09-09
公開日	2021-09-29
最終更新日	2021-10-06
実験手法	X-RAY DIFFRACTION (2.26 Å)
主引用文献	Discovery of GSK251: A Highly Potent, Highly Selective, Orally Bioavailable Inhibitor of PI3K delta with a Novel Binding Mode. J.Med.Chem., 64, 2021

7POT

PI3 kinase delta in complex with N-[5-(3,6-dihydro-2H-pyran-4-yl)-2-methoxypyridin-3-yl]benzenesulfonamide
分子名称:	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
著者	Rowland, P, Convery, M.
登録日	2021-09-09
公開日	2021-09-29
最終更新日	2021-10-06
実験手法	X-RAY DIFFRACTION (2.391 Å)
主引用文献	Discovery of GSK251: A Highly Potent, Highly Selective, Orally Bioavailable Inhibitor of PI3K delta with a Novel Binding Mode. J.Med.Chem., 64, 2021

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
分子名称:	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
著者	Rowland, P, Convery, M.
登録日	2021-09-09
公開日	2021-09-29
最終更新日	2021-10-06
実験手法	X-RAY DIFFRACTION (2.491 Å)
主引用文献	Discovery of GSK251: A Highly Potent, Highly Selective, Orally Bioavailable Inhibitor of PI3K delta with a Novel Binding Mode. J.Med.Chem., 64, 2021

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
分子名称:	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
著者	Rowland, P, Convery, M.
登録日	2021-09-09
公開日	2021-09-29
最終更新日	2021-10-06
実験手法	X-RAY DIFFRACTION (2.493 Å)
主引用文献	Discovery of GSK251: A Highly Potent, Highly Selective, Orally Bioavailable Inhibitor of PI3K delta with a Novel Binding Mode. J.Med.Chem., 64, 2021

6QM8

Leishmania tarentolae proteasome 20S subunit apo structure
分子名称:	Proteasome alpha1 chain, Proteasome alpha2 chain, Proteasome alpha3 chain, ...
著者	Rowland, P, Goswami, P.
登録日	2019-02-01
公開日	2019-04-17
最終更新日	2019-12-18
実験手法	ELECTRON MICROSCOPY (3.3 Å)
主引用文献	Preclinical candidate for the treatment of visceral leishmaniasis that acts through proteasome inhibition. Proc.Natl.Acad.Sci.USA, 116, 2019

6QM7

Leishmania tarentolae proteasome 20S subunit complexed with GSK3494245
分子名称:	Proteasome alpha1 chain, Proteasome alpha2 chain, Proteasome alpha3 chain, ...
著者	Rowland, P, Goswami, P.
登録日	2019-02-01
公開日	2019-04-17
最終更新日	2019-12-18
実験手法	ELECTRON MICROSCOPY (2.8 Å)
主引用文献	Preclinical candidate for the treatment of visceral leishmaniasis that acts through proteasome inhibition. Proc.Natl.Acad.Sci.USA, 116, 2019

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