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3VI8
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BU of 3vi8 by Molmil
Human PPAR alpha ligand binding domain in complex with a synthetic agonist APHM13
Descriptor: (2S)-2-(4-methoxy-3-{[(pyren-1-ylcarbonyl)amino]methyl}benzyl)butanoic acid, Peroxisome proliferator-activated receptor alpha
Authors:Oyama, T, Miyachi, H, Morikawa, K.
Deposit date:2011-09-25
Release date:2012-08-29
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Peroxisome proliferator-activated receptors (PPARs) have multiple binding points that accommodate ligands in various conformations: phenylpropanoic acid-type PPAR ligands bind to PPAR in different conformations, depending on the subtype
J.Med.Chem., 55, 2012
3W0I
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BU of 3w0i by Molmil
Crystal Structure of Rat VDR Ligand Binding Domain in Complex with Novel Nonsecosteroidal Ligands
Descriptor: (2S)-3-{4-[3-(4-{[(2R)-2-hydroxy-3,3-dimethylbutyl]oxy}phenyl)pentan-3-yl]phenoxy}propane-1,2-diol, Mediator of RNA polymerase II transcription subunit 1, Vitamin D3 Receptor
Authors:Shimizu, T, Asano, L, Kuwabara, N, Ito, I, Waku, T, Yanagisawa, J, Miyachi, H.
Deposit date:2012-10-30
Release date:2013-10-09
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural basis for vitamin D receptor agonism by novel non-secosteroidal ligands.
Febs Lett., 587, 2013
2ZNP
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BU of 2znp by Molmil
Human PPAR delta ligand binding domain in complex with a synthetic agonist TIPP204
Descriptor: (2S)-2-{4-butoxy-3-[({[2-fluoro-4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]benzyl}butanoic acid, Peroxisome proliferator-activated receptor delta, heptyl beta-D-glucopyranoside
Authors:Oyama, T, Hirakawa, Y, Nagasawa, N, Miyachi, H, Morikawa, K.
Deposit date:2008-04-30
Release date:2009-05-05
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3 Å)
Cite:Adaptability and selectivity of human peroxisome proliferator-activated receptor (PPAR) pan agonists revealed from crystal structures
Acta Crystallogr.,Sect.D, 65, 2009
2ZNO
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BU of 2zno by Molmil
Human PPAR gamma ligand binding domain in complex with a synthetic agonist TIPP703
Descriptor: (2S)-2-(4-propoxy-3-{[({4-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]phenyl}carbonyl)amino]methyl}benzyl)butanoic acid, Peroxisome proliferator-activated receptor gamma
Authors:Oyama, T, Waku, T, Kasuga, J, Miyachi, H, Morikawa, K.
Deposit date:2008-04-30
Release date:2009-05-05
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Adaptability and selectivity of human peroxisome proliferator-activated receptor (PPAR) pan agonists revealed from crystal structures
Acta Crystallogr.,Sect.D, 65, 2009
3VPH
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BU of 3vph by Molmil
L-lactate dehydrogenase from Thermus caldophilus GK24 complexed with oxamate, NADH and FBP
Descriptor: 1,6-di-O-phosphono-beta-D-fructofuranose, GLYCEROL, L-lactate dehydrogenase, ...
Authors:Arai, K, Ohno, T, Miyanaga, A, Fushinobu, S, Taguchi, H.
Deposit date:2012-03-01
Release date:2013-03-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:The core of allosteric motion in Thermus caldophilus L-lactate dehydrogenase.
J.Biol.Chem., 2014
3VPG
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BU of 3vpg by Molmil
L-lactate dehydrogenase from Thermus caldophilus GK24
Descriptor: GLYCEROL, L-lactate dehydrogenase
Authors:Arai, K, Ohno, T, Miyanaga, A, Fushinobu, S, Taguchi, H.
Deposit date:2012-03-01
Release date:2013-03-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The core of allosteric motion in Thermus caldophilus L-lactate dehydrogenase.
J.Biol.Chem., 2014
3W0G
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BU of 3w0g by Molmil
Crystal Structure of Rat VDR Ligand Binding Domain in Complex with Novel Nonsecosteroidal Ligands
Descriptor: (2S)-3-{4-[2-(4-{[(2R)-2-hydroxy-3,3-dimethylbutyl]oxy}phenyl)propan-2-yl]phenoxy}propane-1,2-diol, Mediator of RNA polymerase II transcription subunit 1, Vitamin D3 receptor
Authors:Shimizu, T, Asano, L, Kuwabara, N, Ito, I, Waku, T, Yanagisawa, J, Miyachi, H.
Deposit date:2012-10-30
Release date:2013-10-09
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Structural basis for vitamin D receptor agonism by novel non-secosteroidal ligands.
Febs Lett., 587, 2013
3W0H
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BU of 3w0h by Molmil
Crystal Structure of Rat VDR Ligand Binding Domain in Complex with Novel Nonsecosteroidal Ligands
Descriptor: (2S)-3-{4-[4-(4-{[(2R)-2-hydroxy-3,3-dimethylbutyl]oxy}phenyl)heptan-4-yl]phenoxy}propane-1,2-diol, Mediator of RNA polymerase II transcription subunit 1, Vitamin D3 receptor
Authors:Shimizu, T, Asano, L, Kuwabara, N, Ito, I, Waku, T, Yanagisawa, J, Miyachi, H.
Deposit date:2012-10-30
Release date:2013-10-09
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural basis for vitamin D receptor agonism by novel non-secosteroidal ligands.
Febs Lett., 587, 2013
3W0J
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BU of 3w0j by Molmil
Crystal Structure of Rat VDR Ligand Binding Domain in Complex with Novel Nonsecosteroidal Ligands
Descriptor: (2S)-3-{4-[2-(4-{[(2R)-2-hydroxy-3,3-dimethylbutyl]oxy}-3-methylphenyl)propan-2-yl]-2-methylphenoxy}propane-1,2-diol, Mediator of RNA polymerase II transcription subunit 1, Vitamin D3 Receptor
Authors:Shimizu, T, Asano, L, Kuwabara, N, Ito, I, Waku, T, Yanagisawa, J, Miyachi, H.
Deposit date:2012-10-30
Release date:2013-10-09
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Structural basis for vitamin D receptor agonism by novel non-secosteroidal ligands.
Febs Lett., 587, 2013
2ZNQ
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BU of 2znq by Molmil
Human PPAR delta ligand binding domain in complex with a synthetic agonist TIPP401
Descriptor: (2S)-2-{3-[({[2-fluoro-4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]-4-methoxybenzyl}butanoic acid, Peroxisome proliferator-activated receptor delta, heptyl beta-D-glucopyranoside
Authors:Oyama, T, Hirakawa, Y, Nagasawa, N, Miyachi, H, Morikawa, K.
Deposit date:2008-04-30
Release date:2009-05-05
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Adaptability and selectivity of human peroxisome proliferator-activated receptor (PPAR) pan agonists revealed from crystal structures
Acta Crystallogr.,Sect.D, 65, 2009
3VSP
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BU of 3vsp by Molmil
Human PPAR gamma ligand binding domain in complex with a gamma selective agonist mekt28
Descriptor: (2R)-2-benzyl-3-[3-({[4-(piperidin-1-yl)benzoyl]amino}methyl)-4-propoxyphenyl]propanoic acid, Peroxisome proliferator-activated receptor gamma
Authors:Oyama, T, Waku, T, Ohashi, M, Morikawa, K, Miyachi, H.
Deposit date:2012-04-30
Release date:2013-05-01
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Human PPAR gamma ligand binding domain in complex with a gamma selective agonist mekt28
To be Published
3TIW
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BU of 3tiw by Molmil
Crystal structure of p97N in complex with the C-terminus of gp78
Descriptor: CHLORIDE ION, E3 ubiquitin-protein ligase AMFR, Transitional endoplasmic reticulum ATPase
Authors:Haenzelmann, P, Schindelin, H.
Deposit date:2011-08-22
Release date:2011-09-14
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.802 Å)
Cite:The Structural and Functional Basis of the p97/Valosin-containing Protein (VCP)-interacting Motif (VIM): MUTUALLY EXCLUSIVE BINDING OF COFACTORS TO THE N-TERMINAL DOMAIN OF p97.
J.Biol.Chem., 286, 2011
3AKF
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BU of 3akf by Molmil
Crystal structure of exo-1,5-alpha-L-arabinofuranosidase
Descriptor: CHLORIDE ION, GLYCEROL, Putative secreted alpha L-arabinofuranosidase II, ...
Authors:Fujimoto, Z, Ichinose, H, Kaneko, S.
Deposit date:2010-07-14
Release date:2010-08-25
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal Structure of an Exo-1,5-{alpha}-L-arabinofuranosidase from Streptomyces avermitilis Provides Insights into the Mechanism of Substrate Discrimination between Exo- and Endo-type Enzymes in Glycoside Hydrolase Family 43.
J.Biol.Chem., 285, 2010
3AKI
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BU of 3aki by Molmil
Crystal structure of exo-1,5-alpha-L-arabinofuranosidase complexed with alpha-L-arabinofuranosyl azido
Descriptor: (2R,3R,4R,5S)-2-azido-5-(hydroxymethyl)oxolane-3,4-diol, CHLORIDE ION, GLYCEROL, ...
Authors:Fujimoto, Z, Ichinose, H, Kaneko, S.
Deposit date:2010-07-14
Release date:2010-08-25
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of an Exo-1,5-{alpha}-L-arabinofuranosidase from Streptomyces avermitilis Provides Insights into the Mechanism of Substrate Discrimination between Exo- and Endo-type Enzymes in Glycoside Hydrolase Family 43.
J.Biol.Chem., 285, 2010
3WWB
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BU of 3wwb by Molmil
Crystal structure of the computationally designed Pizza2-SR protein
Descriptor: Pizza2-SR protein
Authors:Voet, A.R.D, Noguchi, H, Addy, C, Simoncini, D, Terada, D, Unzai, S, Park, S.Y, Zhang, K.Y.J, Tame, J.R.H.
Deposit date:2014-06-17
Release date:2014-10-08
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Computational design of a self-assembling symmetrical beta-propeller protein.
Proc.Natl.Acad.Sci.USA, 111, 2014
3AKG
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BU of 3akg by Molmil
Crystal structure of exo-1,5-alpha-L-arabinofuranosidase complexed with alpha-1,5-L-arabinofuranobiose
Descriptor: CHLORIDE ION, GLYCEROL, Putative secreted alpha L-arabinofuranosidase II, ...
Authors:Fujimoto, Z, Ichinose, H, Kaneko, S.
Deposit date:2010-07-14
Release date:2010-08-25
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structure of an Exo-1,5-{alpha}-L-arabinofuranosidase from Streptomyces avermitilis Provides Insights into the Mechanism of Substrate Discrimination between Exo- and Endo-type Enzymes in Glycoside Hydrolase Family 43.
J.Biol.Chem., 285, 2010
3AKH
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BU of 3akh by Molmil
Crystal structure of exo-1,5-alpha-L-arabinofuranosidase complexed with alpha-1,5-L-arabinofuranotriose
Descriptor: CHLORIDE ION, GLYCEROL, Putative secreted alpha L-arabinofuranosidase II, ...
Authors:Fujimoto, Z, Ichinose, H, Kaneko, S.
Deposit date:2010-07-14
Release date:2010-08-25
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal Structure of an Exo-1,5-{alpha}-L-arabinofuranosidase from Streptomyces avermitilis Provides Insights into the Mechanism of Substrate Discrimination between Exo- and Endo-type Enzymes in Glycoside Hydrolase Family 43.
J.Biol.Chem., 285, 2010
3WMH
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BU of 3wmh by Molmil
Human PPAR gamma ligand binding domain in complex with a gammma selective synthetic partial agonist MEKT75
Descriptor: N-(phenylsulfonyl)-4-propoxy-3-({[4-(pyrimidin-2-yl)benzoyl]amino}methyl)benzamide, Peroxisome proliferator-activated receptor gamma
Authors:Oyama, T, Ohashi, M, Miyachi, H, Kusunoki, M.
Deposit date:2013-11-19
Release date:2014-11-19
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Human PPRR gamma ligand binding domain in complex with a gammma selective synthetic partial agonist MEKT75
TO BE PUBLISHED
3WWF
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BU of 3wwf by Molmil
Crystal structure of the computationally designed Pizza2-SR protein
Descriptor: pizza2sr-pb protein
Authors:Voet, A.R.D, Noguchi, H, Addy, C, Simoncini, D, Terada, D, Unzai, S, Park, S.Y, Zhang, K.Y.J, Tame, J.R.H.
Deposit date:2014-06-17
Release date:2014-10-08
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.601 Å)
Cite:Computational design of a self-assembling symmetrical beta-propeller protein.
Proc.Natl.Acad.Sci.USA, 111, 2014
3WX0
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BU of 3wx0 by Molmil
The crystal structure of D-lactate dehydrogenase from Escherichia coli
Descriptor: D-isomer specific 2-hydroxyacid dehydrogenase NAD-binding
Authors:Furukawa, N, Togawa, M, Miyanaga, A, Nakajima, M, Taguchi, H.
Deposit date:2014-07-08
Release date:2015-07-08
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Allosteric D-lactate dehydrogenases from three Gram-negative bacteria
To be Published
2ZNN
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BU of 2znn by Molmil
Human PPAR alpha ligand binding domain in complex with a synthetic agonist TIPP703
Descriptor: (2S)-2-(4-propoxy-3-{[({4-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]phenyl}carbonyl)amino]methyl}benzyl)butanoic acid, Peroxisome proliferator-activated receptor alpha
Authors:Oyama, T, Toyota, K, Kasuga, J, Miyachi, H, Morikawa, K.
Deposit date:2008-04-30
Release date:2009-05-05
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Adaptability and selectivity of human peroxisome proliferator-activated receptor (PPAR) pan agonists revealed from crystal structures
Acta Crystallogr.,Sect.D, 65, 2009
3WMV
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BU of 3wmv by Molmil
The structure of an anti-cancer lectin mytilec with ligand from the mussel Mytilus galloprovincialis
Descriptor: 2-acetamido-2-deoxy-alpha-D-galactopyranose, Lectin
Authors:Terada, D, Kawai, F, Noguchi, H, Unzai, S, Park, S.-Y, Ozeki, Y, Tame, J.R.H.
Deposit date:2013-11-27
Release date:2014-12-03
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Crystal structure of MytiLec, a galactose-binding lectin from the mussel Mytilus galloprovincialis with cytotoxicity against certain cancer cell types
Sci Rep, 6, 2016
3WWA
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BU of 3wwa by Molmil
Crystal structure of the computationally designed Pizza7 protein after heat treatment
Descriptor: ISOPROPYL ALCOHOL, Pizza7H protein
Authors:Voet, A.R.D, Noguchi, H, Addy, C, Simoncini, D, Terada, D, Unzai, S, Park, S.Y, Zhang, K.Y.J, Tame, J.R.H.
Deposit date:2014-06-17
Release date:2014-10-08
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.988 Å)
Cite:Computational design of a self-assembling symmetrical beta-propeller protein.
Proc.Natl.Acad.Sci.USA, 111, 2014
3WW9
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BU of 3ww9 by Molmil
Crystal structure of the computationally designed Pizza6 protein
Descriptor: GLYCEROL, SULFATE ION, pizza6 protein
Authors:Voet, A.R.D, Noguchi, H, Addy, C, Simoncini, D, Terada, D, Unzai, S, Park, S.Y, Zhang, K.Y.J, Tame, J.R.H.
Deposit date:2014-06-17
Release date:2014-10-08
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.33 Å)
Cite:Computational design of a self-assembling symmetrical beta-propeller protein.
Proc.Natl.Acad.Sci.USA, 111, 2014
3WFJ
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BU of 3wfj by Molmil
The complex structure of D-mandelate dehydrogenase with NADH
Descriptor: 2-dehydropantoate 2-reductase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Miyanaga, A, Fujisawa, S, Furukawa, N, Arai, K, Nakajima, M, Taguchi, H.
Deposit date:2013-07-19
Release date:2014-07-23
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The crystal structure of D-mandelate dehydrogenase reveals its distinct substrate and coenzyme recognition mechanisms from those of 2-ketopantoate reductase.
Biochem.Biophys.Res.Commun., 439, 2013

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