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6QM8
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BU of 6qm8 by Molmil
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
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BU of 6qm7 by Molmil
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2024-05-15
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
6T6R
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BU of 6t6r by Molmil
Human endoplasmic reticulum aminopeptidase 1 (ERAP1) in complex with (4aR,5S,6R,8S,8aR)-5-(2-(Furan-3-yl)ethyl)-8-hydroxy-5,6,8a-trimethyl-3,4,4a,5,6,7,8,8a-octahydronaphthalene-1-carboxylic acid
分子名称: (4~{a}~{R},5~{S},6~{R},8~{S},8~{a}~{R})-5-[2-(furan-3-yl)ethyl]-5,6,8~{a}-trimethyl-8-oxidanyl-3,4,4~{a},6,7,8-hexahydronaphthalene-1-carboxylic acid, 1,2-ETHANEDIOL, D-MALATE, ...
著者Rowland, P.
登録日2019-10-18
公開日2020-03-18
最終更新日2020-04-08
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Targeting the Regulatory Site of ER Aminopeptidase 1 Leads to the Discovery of a Natural Product Modulator of Antigen Presentation.
J.Med.Chem., 63, 2020
8AJJ
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BU of 8ajj by Molmil
Crystal structure of the disulfide reductase MerA from Staphylococcus aureus
分子名称: Dihydrolipoamide dehydrogenase, FLAVIN-ADENINE DINUCLEOTIDE, HISTIDINE
著者Weiland, P, Altegoer, F, Bange, G.
登録日2022-07-28
公開日2023-03-01
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献MerA functions as a hypothiocyanous acid reductase and defense mechanism in Staphylococcus aureus.
Mol.Microbiol., 119, 2023
8AJK
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BU of 8ajk by Molmil
Crystal structure of a C43S variant from the disulfide reductase MerA from Staphylococcus aureus
分子名称: FAD-containing oxidoreductase, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
著者Weiland, P, Altegoer, F, Bange, G.
登録日2022-07-28
公開日2023-03-01
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献MerA functions as a hypothiocyanous acid reductase and defense mechanism in Staphylococcus aureus.
Mol.Microbiol., 119, 2023
8AG8
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BU of 8ag8 by Molmil
Structure of the Fluorescence Recovery-like protein FRPL from Pseudomonas borbori
分子名称: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Fluorescence Recovery-like protein
著者Weiland, P, Bange, G.
登録日2022-07-19
公開日2023-04-05
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Fortuitously compatible protein surfaces primed allosteric control in cyanobacterial photoprotection.
Nat Ecol Evol, 7, 2023
5NAB
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BU of 5nab by Molmil
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
最終更新日2024-05-08
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
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BU of 5nah by Molmil
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
1DPG
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BU of 1dpg by Molmil
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
5L72
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BU of 5l72 by Molmil
PI3 kinase delta in complex with N-[6-(5-methanesulfonamido-6-methoxypyridin-3-yl)-1,3-dihydro-2-benzofuran-4-yl]-2-(morpholin-4-yl)acetamide
分子名称: N-[6-(5-methanesulfonamido-6-methoxypyridin-3-yl)-1,3-dihydro-2-benzofuran-4-yl]-2-(morpholin-4-yl)acetamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
著者Rowland, P.
登録日2016-06-01
公開日2016-07-27
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (3.06 Å)
主引用文献Evolution of a Novel, Orally Bioavailable Series of PI3K delta Inhibitors from an Inhaled Lead for the Treatment of Respiratory Disease.
J.Med.Chem., 59, 2016
5NAG
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BU of 5nag by Molmil
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
最終更新日2024-05-08
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
6GJG
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BU of 6gjg by Molmil
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
最終更新日2024-05-15
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
5NA5
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BU of 5na5 by Molmil
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
最終更新日2024-05-08
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
5NAE
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BU of 5nae by Molmil
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
最終更新日2024-05-08
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
4QEE
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BU of 4qee by Molmil
Room temperature X-ray structure of D-xylose isomerase in complex with two Ni2+ ions and L-ribose
分子名称: NICKEL (II) ION, Xylose isomerase, alpha-L-ribofuranose
著者Kovalevsky, A.Y, Langan, P.
登録日2014-05-15
公開日2014-09-03
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献L-Arabinose Binding, Isomerization, and Epimerization by D-Xylose Isomerase: X-Ray/Neutron Crystallographic and Molecular Simulation Study.
Structure, 22, 2014
4QDW
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BU of 4qdw by Molmil
Joint X-ray and neutron structure of Streptomyces rubiginosus D-xylose isomerase in complex with two Ni2+ ions and linear L-arabinose
分子名称: L-arabinose, NICKEL (II) ION, Xylose isomerase
著者Kovalevsky, A.Y, Langan, P.
登録日2014-05-14
公開日2014-09-03
最終更新日2024-02-28
実験手法NEUTRON DIFFRACTION (1.8 Å), X-RAY DIFFRACTION
主引用文献L-Arabinose Binding, Isomerization, and Epimerization by D-Xylose Isomerase: X-Ray/Neutron Crystallographic and Molecular Simulation Study.
Structure, 22, 2014
4QE5
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BU of 4qe5 by Molmil
Room temperature X-ray structure of D-xylose isomerase in complex with two Mg2+ ions and L-ribulose
分子名称: MAGNESIUM ION, Xylose isomerase, alpha-L-ribulofuranose
著者Kovalevsky, A.Y, Langan, P.
登録日2014-05-15
公開日2014-09-03
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献L-Arabinose Binding, Isomerization, and Epimerization by D-Xylose Isomerase: X-Ray/Neutron Crystallographic and Molecular Simulation Study.
Structure, 22, 2014
4HKO
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BU of 4hko by Molmil
Crystal Structures of Mutant Endo-beta-1,4-xylanase II (E177Q) in the apo form
分子名称: Endo-1,4-beta-xylanase 2, IODIDE ION
著者Langan, P, Wan, Q, Coates, L, Kovalevsky, A.
登録日2012-10-15
公開日2014-01-08
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献X-ray crystallographic studies of family 11 xylanase Michaelis and product complexes: implications for the catalytic mechanism.
Acta Crystallogr.,Sect.D, 70, 2014
4HKL
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BU of 4hkl by Molmil
Crystal Structures of Mutant Endo-beta-1,4-xylanase II Complexed with substrate (1.15 A) and Products (1.6 A)
分子名称: Endo-1,4-beta-xylanase 2, IODIDE ION
著者Langan, P, Wan, Q, Coates, L, Kovalevsky, A.
登録日2012-10-15
公開日2014-01-08
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献X-ray crystallographic studies of family 11 xylanase Michaelis and product complexes: implications for the catalytic mechanism.
Acta Crystallogr.,Sect.D, 70, 2014
4QE4
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BU of 4qe4 by Molmil
Room temperature X-ray structure of D-xylose isomerase in complex with two Ni2+ ions and L-ribulose
分子名称: NICKEL (II) ION, Xylose isomerase, beta-L-ribulofuranose
著者Kovalevsky, A.Y, Langan, P.
登録日2014-05-15
公開日2014-09-03
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献L-Arabinose Binding, Isomerization, and Epimerization by D-Xylose Isomerase: X-Ray/Neutron Crystallographic and Molecular Simulation Study.
Structure, 22, 2014
4QEH
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BU of 4qeh by Molmil
Room temperature X-ray structure of D-xylose isomerase in complex with two Mg2+ ions and L-ribose
分子名称: MAGNESIUM ION, Xylose isomerase, beta-L-ribofuranose
著者Kovalevsky, A.Y, Langan, P.
登録日2014-05-16
公開日2014-09-03
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献L-Arabinose Binding, Isomerization, and Epimerization by D-Xylose Isomerase: X-Ray/Neutron Crystallographic and Molecular Simulation Study.
Structure, 22, 2014
4HK8
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BU of 4hk8 by Molmil
Crystal Structures of Mutant Endo- -1,4-xylanase II Complexed with substrate (1.15 A) and Products (1.6 A)
分子名称: CITRIC ACID, Endo-1,4-beta-xylanase 2, GLYCEROL, ...
著者Langan, P, Wan, Q, Coates, L, Kovalevsky, A.
登録日2012-10-15
公開日2014-01-08
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.151 Å)
主引用文献X-ray crystallographic studies of family 11 xylanase Michaelis and product complexes: implications for the catalytic mechanism.
Acta Crystallogr.,Sect.D, 70, 2014
4QDP
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BU of 4qdp by Molmil
Joint X-ray and neutron structure of Streptomyces rubiginosus D-xylose isomerase in complex with two Cd2+ ions and cyclic beta-L-arabinose
分子名称: CADMIUM ION, Xylose isomerase, beta-L-arabinopyranose
著者Kovalevsky, A.Y, Langan, P.
登録日2014-05-14
公開日2014-09-03
最終更新日2024-02-28
実験手法NEUTRON DIFFRACTION (2 Å), X-RAY DIFFRACTION
主引用文献L-Arabinose Binding, Isomerization, and Epimerization by D-Xylose Isomerase: X-Ray/Neutron Crystallographic and Molecular Simulation Study.
Structure, 22, 2014
4QE1
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BU of 4qe1 by Molmil
Room temperature X-ray structure of D-xylose isomerase in complex with two Cd2+ ions and L-ribulose
分子名称: CADMIUM ION, Xylose isomerase, alpha-L-ribulofuranose
著者Kovalevsky, A.Y, Langan, P.
登録日2014-05-15
公開日2014-09-03
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献L-Arabinose Binding, Isomerization, and Epimerization by D-Xylose Isomerase: X-Ray/Neutron Crystallographic and Molecular Simulation Study.
Structure, 22, 2014
4HK9
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BU of 4hk9 by Molmil
Crystal Structures of Mutant Endo-beta-1,4-xylanase II Complexed with substrate (1.15 A) and Products (1.6 A)
分子名称: Endo-1,4-beta-xylanase 2, beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose
著者Langan, P, Wan, Q, Coates, L, Kovalevsky, A.
登録日2012-10-15
公開日2014-01-08
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献X-ray crystallographic studies of family 11 xylanase Michaelis and product complexes: implications for the catalytic mechanism.
Acta Crystallogr.,Sect.D, 70, 2014

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