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5ENM
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Compound 10
分子名称: (2~{R},4~{S},6~{S})-4-[2,4-bis(fluoranyl)-5-pyrimidin-5-yl-phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-thiazinan-2-amine, Beta-secretase 1, GLYCEROL, ...
著者Lewis, H.A.
登録日2015-11-09
公開日2016-10-05
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Targeting the BACE1 Active Site Flap Leads to a Potent Inhibitor That Elicits Robust Brain A beta Reduction in Rodents.
Acs Med.Chem.Lett., 7, 2016
5ENK
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Compound 18
分子名称: (4~{S},6~{S})-4-[2,4-bis(fluoranyl)-5-pyrimidin-5-yl-phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine, Beta-secretase 1, GLYCEROL, ...
著者Lewis, H.A.
登録日2015-11-09
公開日2016-07-06
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Targeting the BACE1 Active Site Flap Leads to a Potent Inhibitor That Elicits Robust Brain A beta Reduction in Rodents.
Acs Med.Chem.Lett., 7, 2016
7LVI
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BU of 7lvi by Molmil
CRYSTAL STRUCTURE OF AP2 ASSOCIATED KINASE 1 ISOFORM 1 COMPLEXED WITH LIGAND (2R)-2-AMINO-N-[3-METHOXY-4- (1,3-OXAZOL-5-YL)PHENYL]-4-METHYLPENTANAMIDE
分子名称: (2R,3R)-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-(propan-2-yl)piperidine-2-carboxamide, 5-[(4-aminopiperidin-1-yl)methyl]-N-{3-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]phenyl}pyrrolo[2,1-f][1,2,4]triazin-4-amine, AP2-associated protein kinase 1, ...
著者Muckelbauer, J.K.
登録日2021-02-25
公開日2021-07-28
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Discovery, Structure-Activity Relationships, and In Vivo Evaluation of Novel Aryl Amides as Brain Penetrant Adaptor Protein 2-Associated Kinase 1 (AAK1) Inhibitors for the Treatment of Neuropathic Pain.
J.Med.Chem., 64, 2021
7LVH
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CRYSTAL STRUCTURE OF AP2 ASSOCIATED KINASE 1 ISOFORM 1 COMPLEXED WITH LIGAND N-[3-METHOXY-4-(1,3-OXAZOL-5-YL)PHENYL]-3-(PROPAN-2-YL)PIPERIDINE-2-CARBOXAMIDE
分子名称: 5-[(4-aminopiperidin-1-yl)methyl]-N-{3-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]phenyl}pyrrolo[2,1-f][1,2,4]triazin-4-amine, AP2-associated protein kinase 1, N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-D-leucinamide, ...
著者Muckelbauer, J.K.
登録日2021-02-25
公開日2021-07-28
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Discovery, Structure-Activity Relationships, and In Vivo Evaluation of Novel Aryl Amides as Brain Penetrant Adaptor Protein 2-Associated Kinase 1 (AAK1) Inhibitors for the Treatment of Neuropathic Pain.
J.Med.Chem., 64, 2021
5ZJP
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BU of 5zjp by Molmil
Structure of N-acetylmannosamine-6-phosphate-2-epimerase from Vibrio cholerae with N-acetylglucosamine-6-phosphate
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, N-acetyl-D-glucosamine-6-phosphate, ...
著者Manjunath, L, Guntupalli, S.R.
登録日2018-03-21
公開日2018-12-05
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.66 Å)
主引用文献Crystal structures and kinetic analyses of N-acetylmannosamine-6-phosphate 2-epimerases from Fusobacterium nucleatum and Vibrio cholerae
Acta Crystallogr F Struct Biol Commun, 74, 2018
5KJ1
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G173A horse liver alcohol dehydrogenase complexed with NAD+ and pentafluorobenzyl alcohol
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, 2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL, Alcohol dehydrogenase E chain, ...
著者Plapp, B.V.
登録日2016-06-17
公開日2016-07-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Dependence of crystallographic atomic displacement parameters on temperature (25-150 K) for complexes of horse liver alcohol dehydrogenase.
Acta Crystallogr D Struct Biol, 78, 2022
7RJ8
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BU of 7rj8 by Molmil
CRYSTAL STRUCTURE OF AP2 ASSOCIATED KINASE 1 ISOFORM 1 COMPLEXED WITH LIGAND (2R)-2-AMINO-N-[3-(DIFLUOROM ETHOXY)-4-(1,3-OXAZOL-5-YL)PHENYL]-4-METHYLPENTANAMIDE
分子名称: 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, 5-[(4-aminopiperidin-1-yl)methyl]-N-{3-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]phenyl}pyrrolo[2,1-f][1,2,4]triazin-4-amine, AP2-associated protein kinase 1, ...
著者Pokross, M, Muckelbauer, J.
登録日2021-07-20
公開日2022-02-23
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Bicyclic Heterocyclic Replacement of an Aryl Amide Leading to Potent and Kinase-Selective Adaptor Protein 2-Associated Kinase 1 Inhibitors.
J.Med.Chem., 65, 2022
7RJ6
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CRYSTAL STRUCTURE OF AP2 ASSOCIATED KINASE 1 ISOFORM 1 COMPLEXED WITH LIGAND (2R)-2-AMINO-N-[3-(DIFLUOROM ETHOXY)-4-(1,3-OXAZOL-5-YL)PHENYL]-4-METHYLPENTANAMIDE
分子名称: (1S)-1-[4-ethyl-6-(1,3-oxazol-5-yl)quinazolin-2-yl]-3-methylbutan-1-amine, 5-[(4-aminopiperidin-1-yl)methyl]-N-{3-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]phenyl}pyrrolo[2,1-f][1,2,4]triazin-4-amine, AP2-associated protein kinase 1, ...
著者Muckelbauer, J.
登録日2021-07-20
公開日2022-02-23
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.132 Å)
主引用文献Bicyclic Heterocyclic Replacement of an Aryl Amide Leading to Potent and Kinase-Selective Adaptor Protein 2-Associated Kinase 1 Inhibitors.
J.Med.Chem., 65, 2022
7RJ7
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CRYSTAL STRUCTURE OF AP2 ASSOCIATED KINASE 1 ISOFORM 1 COMPLEXED WITH LIGAND 2-(1-AMINO-3-METHYLBUTYL)-6- (PYRIDIN-4-YL)QUINOLINE-4-CARBONITRILE
分子名称: 2-[(1S)-1-amino-3-methylbutyl]-6-(pyridin-4-yl)quinoline-4-carbonitrile, AP2-associated protein kinase 1, SULFATE ION
著者Muckelbauer, J.
登録日2021-07-20
公開日2022-02-23
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.124 Å)
主引用文献Bicyclic Heterocyclic Replacement of an Aryl Amide Leading to Potent and Kinase-Selective Adaptor Protein 2-Associated Kinase 1 Inhibitors.
J.Med.Chem., 65, 2022
5ZJN
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Structure of N-acetylmannosamine-6-phosphate-2-epimerase from Vibrio cholerae with N-acetylmannosamine-6-phosphate
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, N-acetylmannosamine-6-phosphate, ...
著者Manjunath, L, Guntupalli, S.
登録日2018-03-21
公開日2018-09-19
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.66 Å)
主引用文献Crystal structures and kinetic analyses of N-acetylmannosamine-6-phosphate 2-epimerases from Fusobacterium nucleatum and Vibrio cholerae
Acta Crystallogr F Struct Biol Commun, 74, 2018
7K35
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EQADH-NADH-4-METHYLBENZYL ALCOHOL, p21
分子名称: (4-methylphenyl)methanol, (4R)-2-METHYLPENTANE-2,4-DIOL, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ...
著者Plapp, B.V, Ramaswamy, S.
登録日2020-09-10
公開日2020-09-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Alternative binding modes in abortive NADH-alcohol complexes of horse liver alcohol dehydrogenase.
Arch.Biochem.Biophys., 701, 2021
7JQA
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EQADH-NADH-4-BROMOBENZYL ALCOHOL, P21
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Alcohol dehydrogenase E chain, ...
著者Plapp, B.V, Ramaswamy, S.
登録日2020-08-10
公開日2020-08-19
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Alternative binding modes in abortive NADH-alcohol complexes of horse liver alcohol dehydrogenase.
Arch.Biochem.Biophys., 701, 2021
5ZJB
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Structure of N-acetylmannosamine-6-phosphate-2-epimerase from Vibrio cholerae
分子名称: DI(HYDROXYETHYL)ETHER, MALONATE ION, Putative N-acetylmannosamine-6-phosphate 2-epimerase
著者Manjunath, L, Guntupalli, S.
登録日2018-03-19
公開日2018-09-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.699 Å)
主引用文献Crystal structures and kinetic analyses of N-acetylmannosamine-6-phosphate 2-epimerases from Fusobacterium nucleatum and Vibrio cholerae
Acta Crystallogr F Struct Biol Commun, 74, 2018
5ZKN
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BU of 5zkn by Molmil
Structure of N-acetylmannosamine-6-phosphate 2-epimerase from Fusobacterium nucleatum
分子名称: CHLORIDE ION, Putative N-acetylmannosamine-6-phosphate 2-epimerase
著者Manjunath, L.
登録日2018-03-24
公開日2018-09-19
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.205 Å)
主引用文献Crystal structures and kinetic analyses of N-acetylmannosamine-6-phosphate 2-epimerases from Fusobacterium nucleatum and Vibrio cholerae
Acta Crystallogr F Struct Biol Commun, 74, 2018
7UA6
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Horse liver alcohol dehydrogenase with NAD and trifluoroethanol at 25K
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, Alcohol dehydrogenase E chain, NICOTINAMIDE-ADENINE-DINUCLEOTIDE (ACIDIC FORM), ...
著者Plapp, B.V, Gakhar, L.
登録日2022-03-11
公開日2022-03-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Dependence of crystallographic atomic displacement factors on temperature (25-150 K) for complexes of horse liver alcohol dehydrogenases
Acta Crystallogr.,Sect.D, D78, 2022
7UEI
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Horse liver alcohol dehydrogenase with NAD and pentafluorobenzyl alcohol at 100 K, 1.2 A, crystal 16
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, 2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL, Alcohol dehydrogenase E chain, ...
著者Plapp, B.V, Gakhar, L.
登録日2022-03-21
公開日2022-03-30
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Dependence of crystallographic atomic displacement factors on temperature (25-150 K) for complexes of horse liver alcohol dehydrogenases
Acta Crystallogr.,Sect.D, D78, 2022
7UC9
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Horse liver alcohol dehydrogenase with NAD and trifluoroethanol at 45 K
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, Alcohol dehydrogenase E chain, NICOTINAMIDE-ADENINE-DINUCLEOTIDE (ACIDIC FORM), ...
著者Plapp, B.V, Gakhar, L.
登録日2022-03-16
公開日2022-03-30
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Dependence of crystallographic atomic displacement factors on temperature (25-150 K) for complexes of horse liver alcohol dehydrogenases
Acta Crystallogr.,Sect.D, D78, 2022
7UCU
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BU of 7ucu by Molmil
Horse liver alcohol dehydrogenase with NAD and trifluoroethanol at 85K
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, Alcohol dehydrogenase E chain, NICOTINAMIDE-ADENINE-DINUCLEOTIDE (ACIDIC FORM), ...
著者Plapp, B.V, Gakhar, L.
登録日2022-03-17
公開日2022-03-30
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Dependence of crystallographic atomic displacement factors on temperature (25-150 K) for complexes of horse liver alcohol dehydrogenases
Acta Crystallogr.,Sect.D, D78, 2022
7UEC
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BU of 7uec by Molmil
Horse liver alcohol dehydrogenase with NAD and pentafluorobenzyl alcohol at 50 K
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, 2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL, Alcohol dehydrogenase E chain, ...
著者Plapp, B.V, Gakhar, L.
登録日2022-03-21
公開日2022-03-30
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Dependence of crystallographic atomic displacement factors on temperature (25-150 K) for complexes of horse liver alcohol dehydrogenases
Acta Crystallogr.,Sect.D, D78, 2022
7UDE
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BU of 7ude by Molmil
Horse liver alcohol dehydrogenase with NAD and trifluoroethanol at 125 K
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, Alcohol dehydrogenase E chain, NICOTINAMIDE-ADENINE-DINUCLEOTIDE (ACIDIC FORM), ...
著者Plapp, B.V, Gakhar, L.
登録日2022-03-18
公開日2022-03-30
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Dependence of crystallographic atomic displacement factors on temperature (25-150 K) for complexes of horse liver alcohol dehydrogenases
Acta Crystallogr.,Sect.D, D78, 2022
7UEF
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BU of 7uef by Molmil
Horse liver alcohol dehydrogenase with NAD and pentafluorobenzyl alcohol at 85 K
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, 2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL, Alcohol dehydrogenase E chain, ...
著者Plapp, B.V, Gakhar, L.
登録日2022-03-21
公開日2022-03-30
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Dependence of crystallographic atomic displacement factors on temperature (25-150 K) for complexes of horse liver alcohol dehydrogenases
Acta Crystallogr.,Sect.D, D78, 2022
7UEE
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BU of 7uee by Molmil
Horse liver alcohol dehydrogenase with NAD and pentafluorobenzyl alcohol at 75 K
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, 2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL, Alcohol dehydrogenase E chain, ...
著者Plapp, B.V, Gakhar, L.
登録日2022-03-21
公開日2022-03-30
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Dependence of crystallographic atomic displacement factors on temperature (25-150 K) for complexes of horse liver alcohol dehydrogenases
Acta Crystallogr.,Sect.D, D78, 2022
7UDR
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BU of 7udr by Molmil
Horse liver alcohol dehydrogenase with NAD and pentafluorobenzyl alcohol at 25 K
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, 2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL, Alcohol dehydrogenase E chain, ...
著者Plapp, B.V, Gakhar, L.
登録日2022-03-20
公開日2022-03-30
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Dependence of crystallographic atomic displacement factors on temperature (25-150 K) for complexes of horse liver alcohol dehydrogenases
Acta Crystallogr.,Sect.D, D78, 2022
7UEJ
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BU of 7uej by Molmil
horse liver alcohol dehydrogenase with NAD and pentafluorobenzyl alcohol at 150 K
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, 2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL, Alcohol dehydrogenase E chain, ...
著者Plapp, B.V, Gakhar, L.
登録日2022-03-21
公開日2022-03-30
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Dependence of crystallographic atomic displacement factors on temperature (25-150 K) for complexes of horse liver alcohol dehydrogenases
Acta Crystallogr.,Sect.D, D78, 2022
7UCA
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BU of 7uca by Molmil
Horse liver alcohol dehydrogenase with NAD and trifluoroethanol at 65 K
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, Alcohol dehydrogenase E chain, NICOTINAMIDE-ADENINE-DINUCLEOTIDE (ACIDIC FORM), ...
著者Plapp, B.V, Gakhar, L.
登録日2022-03-16
公開日2022-03-30
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Dependence of crystallographic atomic displacement factors on temperature (25-150 K) for complexes of horse liver alcohol dehydrogenases
Acta Crystallogr.,Sect.D, D78, 2022

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件を2024-11-06に公開中

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