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1FFT
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BU of 1fft by Molmil
The structure of ubiquinol oxidase from Escherichia coli
Descriptor: COPPER (II) ION, HEME O, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Abramson, J, Riistama, S, Larsson, G, Jasaitis, A, Svensson-Ek, M, Puustinen, A, Iwata, S, Wikstrom, M.
Deposit date:2000-07-26
Release date:2000-10-18
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:The structure of the ubiquinol oxidase from Escherichia coli and its ubiquinone binding site.
Nat.Struct.Biol., 7, 2000
1DY7
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BU of 1dy7 by Molmil
Cytochrome cd1 Nitrite Reductase, CO complex
Descriptor: CARBON MONOXIDE, GLYCEROL, HEME C, ...
Authors:Sjogren, T, Svensson-Ek, M, Hajdu, J, Brzezinski, P.
Deposit date:2000-01-28
Release date:2000-09-24
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite: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
8CJ7
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BU of 8cj7 by Molmil
HDAC6 selective degraded (difluoromethyl)-1,3,4-oxadiazole substrate inhibitor
Descriptor: 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, ...
Authors:Sandmark, J, Ek, M, Ripa, L.
Deposit date:2023-02-12
Release date:2023-10-18
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Selective and Bioavailable HDAC6 2-(Difluoromethyl)-1,3,4-oxadiazole Substrate Inhibitors and Modeling of Their Bioactivation Mechanism.
J.Med.Chem., 66, 2023
1M56
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BU of 1m56 by Molmil
Structure of cytochrome c oxidase from Rhodobactor sphaeroides (Wild Type)
Descriptor: 1,2-Distearoyl-sn-glycerophosphoethanolamine, CALCIUM ION, COPPER (II) ION, ...
Authors:Svensson-Ek, M, Abramson, J, Larsson, G, Tornroth, S, Brezezinski, P, Iwata, S.
Deposit date:2002-07-08
Release date:2002-08-28
Last modified:2021-06-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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))
Descriptor: 1,2-Distearoyl-sn-glycerophosphoethanolamine, CALCIUM ION, COPPER (II) ION, ...
Authors:Svensson-Ek, M, Abramson, J, Larsson, G, Tornroth, S, Brezezinski, P, Iwata, S.
Deposit date:2002-07-08
Release date:2002-08-28
Last modified:2021-11-10
Method:X-RAY DIFFRACTION (3 Å)
Cite:The X-ray crystal structures of wild-type and EQ(I-286) mutant cytochrome c oxidases from Rhodobacter sphaeroides.
J.Mol.Biol., 321, 2002
6R7D
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BU of 6r7d by Molmil
Crystal structure of LTC4S in complex with AZ13690257
Descriptor: (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, ...
Authors:Kack, H, Ek, M.
Deposit date:2019-03-28
Release date:2019-08-28
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.35 Å)
Cite: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
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
Descriptor: (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
Authors: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.
Deposit date:2011-12-19
Release date:2012-02-29
Last modified:2018-02-14
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Aminoimidazoles as BACE-1 inhibitors: the challenge to achieve in vivo brain efficacy.
Bioorg. Med. Chem. Lett., 22, 2012
4ACX
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BU of 4acx by Molmil
Aminoimidazoles as BACE-1 Inhibitors. X-RAY CRYSTAL STRUCTURE OF BETA SECRETASE COMPLEXED WITH COMPOUND 23
Descriptor: (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
Authors: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.
Deposit date:2011-12-20
Release date:2012-02-29
Last modified:2018-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:Aminoimidazoles as BACE-1 inhibitors: the challenge to achieve in vivo brain efficacy.
Bioorg. Med. Chem. Lett., 22, 2012
4UV4
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BU of 4uv4 by Molmil
Crystal structure of anti-FPR Fpro0165 Fab fragment
Descriptor: FPRO0165 FAB
Authors: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.
Deposit date:2014-08-04
Release date:2014-12-24
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.08 Å)
Cite: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
5FX6
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BU of 5fx6 by Molmil
Novel inhibitors of human rhinovirus 3C protease
Descriptor: 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
Authors:Kawatkar, S, Ek, M, Hoesch, V, Gagnon, M, Nilsson, E, Lister, T, Olsson, L, Patel, J, Yu, Q.
Deposit date:2016-02-24
Release date:2016-06-22
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Design and Structure-Activity Relationships of Novel Inhibitors of Human Rhinovirus 3C Protease.
Bioorg.Med.Chem.Lett., 26, 2016
5FX5
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BU of 5fx5 by Molmil
Novel inhibitors of human rhinovirus 3C protease
Descriptor: GLYCEROL, RHINOVIRUS 3C PROTEASE, TETRAETHYLENE GLYCOL, ...
Authors:Kawatkar, S, Ek, M, Hoesch, V, Gagnon, M, Nilsson, E, Lister, T, Olsson, L, Patel, J, Yu, Q.
Deposit date:2016-02-24
Release date:2016-06-22
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Design and Structure-Activity Relationships of Novel Inhibitors of Human Rhinovirus 3C Protease.
Bioorg.Med.Chem.Lett., 26, 2016
4AL0
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BU of 4al0 by Molmil
Crystal structure of Human PS-1
Descriptor: GLUTATHIONE, PALMITIC ACID, PROSTAGLANDIN E SYNTHASE, ...
Authors:Sjogren, T, Nord, J, Ek, M, Johansson, P, Liu, G, Geschwindner, S.
Deposit date:2012-02-29
Release date:2013-02-06
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.16 Å)
Cite: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
Descriptor: L-gamma-glutamyl-S-(2-biphenyl-4-yl-2-oxoethyl)-L-cysteinylglycine, PALMITIC ACID, PROSTAGLANDIN E SYNTHASE, ...
Authors:Sjogren, T, Nord, J, Ek, M, Johansson, P, Liu, G, Geschwindner, S.
Deposit date:2012-02-29
Release date:2013-02-06
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal Structure of Microsomal Prostaglandin E2 Synthase Provides Insight Into Diversity in the Mapeg Superfamily.
Proc.Natl.Acad.Sci.USA, 110, 2013
5JNQ
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BU of 5jnq by Molmil
MraY tunicamycin complex
Descriptor: PALMITIC ACID, Phospho-N-acetylmuramoyl-pentapeptide-transferase, Tunicamycin, ...
Authors:Johansson, P.
Deposit date:2016-04-30
Release date:2017-01-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:MraY-antibiotic complex reveals details of tunicamycin mode of action.
Nat. Chem. Biol., 13, 2017
7QB1
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BU of 7qb1 by Molmil
PPARg in complex with inhibitor
Descriptor: 3-[(3,4-dichlorophenyl)methyl]-4-oxidanylidene-6-phenoxy-phthalazine-1-carboxylic acid, Peroxisome proliferator-activated receptor gamma, SULFATE ION
Authors:Petersen, J.
Deposit date:2021-11-17
Release date:2022-05-04
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery by Virtual Screening of an Inhibitor of CDK5-Mediated PPAR gamma Phosphorylation.
Acs Med.Chem.Lett., 13, 2022

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