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5FX6
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BU of 5fx6 by Molmil
Novel inhibitors of human rhinovirus 3C protease
分子名称: RHINOVIRUS 3C PROTEASE, ethyl (4R)-4-[[(2S,4S)-1-[(2S)-3-methyl-2-[(5-methyl-1,2-oxazol-3-yl)carbonylamino]butanoyl]-4-phenyl-pyrrolidin-2-yl]carbonylamino]-5-[(3S)-2-oxidanylidenepyrrolidin-3-yl]pentanoate
著者Kawatkar, S, Ek, M, Hoesch, V, Gagnon, M, Nilsson, E, Lister, T, Olsson, L, Patel, J, Yu, Q.
登録日2016-02-24
公開日2016-06-22
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Design and Structure-Activity Relationships of Novel Inhibitors of Human Rhinovirus 3C Protease.
Bioorg.Med.Chem.Lett., 26, 2016
1DY7
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BU of 1dy7 by Molmil
Cytochrome cd1 Nitrite Reductase, CO complex
分子名称: CARBON MONOXIDE, GLYCEROL, HEME C, ...
著者Sjogren, T, Svensson-Ek, M, Hajdu, J, Brzezinski, P.
登録日2000-01-28
公開日2000-09-24
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Proton-Coupled Structural Changes Upon Binding of Carbon Monoxide to Cytochrome Cd(1): A Combined Flash Photolysis and X-Ray Crystallography Study
Biochemistry, 39, 2000
4UV4
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BU of 4uv4 by Molmil
Crystal structure of anti-FPR Fpro0165 Fab fragment
分子名称: FPRO0165 FAB
著者Douthwaite, J.A, Sridharan, S, Huntington, C, Marwood, R, Hammersley, J, Hakulinen, J.K, Ek, M, Sjogren, T, Rider, D, Privezentzev, C, Seaman, J.C, Cariuk, P, Knights, V, Young, J, Wilkinson, T, Sleeman, M, Finch, D.K, Lowe, D.C, Vaughan, T.J.
登録日2014-08-04
公開日2014-12-24
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.08 Å)
主引用文献Affinity Maturation of a Novel Antagonistic Human Monoclonal Antibody with a Long Vh Cdr3 Targeting the Class a Gpcr Formyl-Peptide Receptor 1.
Mabs, 7, 2015
1FFT
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BU of 1fft by Molmil
The structure of ubiquinol oxidase from Escherichia coli
分子名称: COPPER (II) ION, HEME O, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Abramson, J, Riistama, S, Larsson, G, Jasaitis, A, Svensson-Ek, M, Puustinen, A, Iwata, S, Wikstrom, M.
登録日2000-07-26
公開日2000-10-18
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献The structure of the ubiquinol oxidase from Escherichia coli and its ubiquinone binding site.
Nat.Struct.Biol., 7, 2000
4ACU
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BU of 4acu by Molmil
Aminoimidazoles as BACE-1 Inhibitors. X-RAY CRYSTAL STRUCTURE OF BETA SECRETASE COMPLEXED WITH COMPOUND 14
分子名称: (8S)-3,3-DIFLUORO-8-(2'-FLUORO-3'-METHOXYBIPHENYL-3-YL)-8-PYRIDIN-4-YL-2,3,4,8-TETRAHYDROIMIDAZO[1,5-A]PYRIMIDIN-6-AMINE, ACETATE ION, BETA-SECRETASE 1
著者Swahn, B, Holenz, J, Kihlstrom, J, Kolmodin, K, Lindstrom, J, Plobeck, N, Rotticci, D, Sehgelmeble, F, Sundstrom, M, von Berg, S, Falting, J, Georgievska, B, Gustavsson, S, Neelissen, J, Ek, M, Olsson, L.L, Berg, S.
登録日2011-12-19
公開日2012-02-29
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Aminoimidazoles as BACE-1 inhibitors: the challenge to achieve in vivo brain efficacy.
Bioorg. Med. Chem. Lett., 22, 2012
4ACX
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Aminoimidazoles as BACE-1 Inhibitors. X-RAY CRYSTAL STRUCTURE OF BETA SECRETASE COMPLEXED WITH COMPOUND 23
分子名称: (8R)-8-[4-(DIFLUOROMETHOXY)PHENYL]-3,3-DIFLUORO-8-[3-(3-METHOXYPROP-1-YN-1-YL)PHENYL]-2,3,4,8-TETRAHYDROIMIDAZO[1,5-A]PYRIMIDIN-6-AMINE, ACETATE ION, BETA-SECRETASE 1
著者Swahn, B, Holenz, J, Kihlstrom, J, Kolmodin, K, Lindstrom, J, Plobeck, N, Rotticci, D, Sehgelmeble, F, Sundstrom, M, von Berg, S, Falting, J, Georgievska, B, Gustavsson, S, Neelissen, J, Ek, M, Olsson, L.L, Berg, S.
登録日2011-12-20
公開日2012-02-29
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Aminoimidazoles as BACE-1 inhibitors: the challenge to achieve in vivo brain efficacy.
Bioorg. Med. Chem. Lett., 22, 2012
1M56
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BU of 1m56 by Molmil
Structure of cytochrome c oxidase from Rhodobactor sphaeroides (Wild Type)
分子名称: 1,2-Distearoyl-sn-glycerophosphoethanolamine, CALCIUM ION, COPPER (II) ION, ...
著者Svensson-Ek, M, Abramson, J, Larsson, G, Tornroth, S, Brezezinski, P, Iwata, S.
登録日2002-07-08
公開日2002-08-28
最終更新日2021-06-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The X-ray crystal structures of wild-type and EQ(I-286) mutant cytochrome c oxidases from Rhodobacter sphaeroides.
J.Mol.Biol., 321, 2002
1M57
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BU of 1m57 by Molmil
Structure of cytochrome c oxidase from Rhodobacter sphaeroides (EQ(I-286) mutant))
分子名称: 1,2-Distearoyl-sn-glycerophosphoethanolamine, CALCIUM ION, COPPER (II) ION, ...
著者Svensson-Ek, M, Abramson, J, Larsson, G, Tornroth, S, Brezezinski, P, Iwata, S.
登録日2002-07-08
公開日2002-08-28
最終更新日2021-11-10
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献The X-ray crystal structures of wild-type and EQ(I-286) mutant cytochrome c oxidases from Rhodobacter sphaeroides.
J.Mol.Biol., 321, 2002
8CJ7
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BU of 8cj7 by Molmil
HDAC6 selective degraded (difluoromethyl)-1,3,4-oxadiazole substrate inhibitor
分子名称: 6-[(5-pyridin-2-yl-1,2$l^{4},3,4-tetrazacyclopenta-1,3-dien-2-yl)methyl]pyridine-3-carbohydrazide, Histone deacetylase 6, IODIDE ION, ...
著者Sandmark, J, Ek, M, Ripa, L.
登録日2023-02-12
公開日2023-10-18
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献Selective and Bioavailable HDAC6 2-(Difluoromethyl)-1,3,4-oxadiazole Substrate Inhibitors and Modeling of Their Bioactivation Mechanism.
J.Med.Chem., 66, 2023
4AL0
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BU of 4al0 by Molmil
Crystal structure of Human PS-1
分子名称: GLUTATHIONE, PALMITIC ACID, PROSTAGLANDIN E SYNTHASE, ...
著者Sjogren, T, Nord, J, Ek, M, Johansson, P, Liu, G, Geschwindner, S.
登録日2012-02-29
公開日2013-02-06
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.16 Å)
主引用文献Crystal Structure of Microsomal Prostaglandin E2 Synthase Provides Insight Into Diversity in the Mapeg Superfamily.
Proc.Natl.Acad.Sci.USA, 110, 2013
4AL1
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BU of 4al1 by Molmil
Crystal structure of Human PS-1 GSH-analog complex
分子名称: L-gamma-glutamyl-S-(2-biphenyl-4-yl-2-oxoethyl)-L-cysteinylglycine, PALMITIC ACID, PROSTAGLANDIN E SYNTHASE, ...
著者Sjogren, T, Nord, J, Ek, M, Johansson, P, Liu, G, Geschwindner, S.
登録日2012-02-29
公開日2013-02-06
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystal Structure of Microsomal Prostaglandin E2 Synthase Provides Insight Into Diversity in the Mapeg Superfamily.
Proc.Natl.Acad.Sci.USA, 110, 2013
6R7D
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BU of 6r7d by Molmil
Crystal structure of LTC4S in complex with AZ13690257
分子名称: (1~{S},2~{S})-2-[5-[cyclopropylmethyl(naphthalen-1-yl)amino]-4-methoxy-pyrimidin-2-yl]carbonylcyclopropane-1-carboxylic acid, DODECYL-BETA-D-MALTOSIDE, Leukotriene C4 synthase, ...
著者Kack, H, Ek, M.
登録日2019-03-28
公開日2019-08-28
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Discovery of the Oral Leukotriene C4 Synthase Inhibitor (1S,2S)-2-({5-[(5-Chloro-2,4-difluorophenyl)(2-fluoro-2-methylpropyl)amino]-3-methoxypyrazin-2-yl}carbonyl)cyclopropanecarboxylic Acid (AZD9898) as a New Treatment for Asthma.
J.Med.Chem., 62, 2019
5FX5
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BU of 5fx5 by Molmil
Novel inhibitors of human rhinovirus 3C protease
分子名称: GLYCEROL, RHINOVIRUS 3C PROTEASE, TETRAETHYLENE GLYCOL, ...
著者Kawatkar, S, Ek, M, Hoesch, V, Gagnon, M, Nilsson, E, Lister, T, Olsson, L, Patel, J, Yu, Q.
登録日2016-02-24
公開日2016-06-22
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Design and Structure-Activity Relationships of Novel Inhibitors of Human Rhinovirus 3C Protease.
Bioorg.Med.Chem.Lett., 26, 2016
7QB1
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BU of 7qb1 by Molmil
PPARg in complex with inhibitor
分子名称: 3-[(3,4-dichlorophenyl)methyl]-4-oxidanylidene-6-phenoxy-phthalazine-1-carboxylic acid, Peroxisome proliferator-activated receptor gamma, SULFATE ION
著者Petersen, J.
登録日2021-11-17
公開日2022-05-04
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Discovery by Virtual Screening of an Inhibitor of CDK5-Mediated PPAR gamma Phosphorylation.
Acs Med.Chem.Lett., 13, 2022
5JNQ
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BU of 5jnq by Molmil
MraY tunicamycin complex
分子名称: PALMITIC ACID, Phospho-N-acetylmuramoyl-pentapeptide-transferase, Tunicamycin, ...
著者Johansson, P.
登録日2016-04-30
公開日2017-01-11
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献MraY-antibiotic complex reveals details of tunicamycin mode of action.
Nat. Chem. Biol., 13, 2017

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