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2RQ0
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BU of 2rq0 by Molmil
Solution Structure of Mouse Lipocalin-type Prostaglandin D Synthase Possessing the Intrinsic Disulfide Bond
Descriptor: Prostaglandin-H2 D-isomerase
Authors:Miyamoto, Y, Nishimura, S, Inui, T.
Deposit date:2008-12-24
Release date:2009-12-15
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Structural analysis of lipocalin-type prostaglandin D synthase complexed with biliverdin by small-angle X-ray scattering and multi-dimensional NMR.
J.Struct.Biol., 2009
8HTA
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BU of 8hta by Molmil
Solution Structure of the C65A/C167A Mutant of Human Lipocalin-type Prostaglandin D Synthase
Descriptor: Prostaglandin-H2 D-isomerase
Authors:Miyamoto, Y, Inui, T.
Deposit date:2022-12-20
Release date:2023-04-19
Last modified:2023-08-30
Method:SOLUTION NMR
Cite:Structural and interaction analysis of human lipocalin-type prostaglandin D synthase with the poorly water-soluble drug NBQX.
Febs J., 290, 2023
5B56
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BU of 5b56 by Molmil
Crystal structure of HIV-1 VPR C-Terminal domain and DIBB-M-Importin-Alpha2 complex
Descriptor: Importin subunit alpha-1, Protein Vpr
Authors:Miyatake, H, Sanjoh, A, Matusda, G, Murakami, T, Murakami, H, Hagiwara, K, Yokoyama, M, Sato, H, Miyamoto, Y, Dohmae, N, Aida, Y.
Deposit date:2016-04-25
Release date:2016-06-01
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Molecular Mechanism of HIV-1 Vpr for Binding to Importin-alpha
J.Mol.Biol., 428, 2016
1WS8
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BU of 1ws8 by Molmil
Crystal Structure of Mavicyanin from Cucurbita pepo medullosa (Zucchini)
Descriptor: COPPER (II) ION, GLYCEROL, mavicyanin
Authors:Xie, Y, Inoue, T, Miyamoto, Y, Matsumura, H, Kunishige, K, Yamaguchi, K, Nojini, M, Suzuki, S, Kai, Y.
Deposit date:2004-11-02
Release date:2004-11-23
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural reorganization of the copper binding site involving Thr15 of mavicyanin from Cucurbita pepo medullosa (zucchini) upon reduction.
J.Biochem.(Tokyo), 137, 2005
1WS7
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BU of 1ws7 by Molmil
Crystal Structure of Mavicyanin from Cucurbita pepo medullosa (Zucchini)
Descriptor: COPPER (I) ION, Mavicyanin
Authors:Xie, Y, Inoue, T, Miyamoto, Y, Matsumura, H, Kataoka, K, Yamaguchi, K, Nojini, M, Suzuki, S, Kai, Y.
Deposit date:2004-11-02
Release date:2004-11-23
Last modified:2018-07-11
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural reorganization of the copper binding site involving Thr15 of mavicyanin from Cucurbita pepo medullosa (zucchini) upon reduction.
J.Biochem.(Tokyo), 137, 2005
2ZLA
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BU of 2zla by Molmil
2-Substituted-16-ene-22-thia-1alpha,25-dihydroxy-26,27-dimethyl-19-norvitamin D3 analogs: Synthesis, biological evaluation and crystal structure
Descriptor: (1R,2S,3R,5Z,7E)-17-{(1R)-1-[(2-ethyl-2-hydroxybutyl)sulfanyl]ethyl}-2-(2-hydroxyethoxy)-9,10-secoestra-5,7,16-triene-1,3-diol, Coactivator peptide DRIP, Vitamin D3 receptor
Authors:Shimizu, M, Miyamoto, Y, Nakabayashi, M, Masuno, H, Ikura, T, Ito, N.
Deposit date:2008-04-04
Release date:2008-06-24
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:2-Substituted-16-ene-22-thia-1alpha,25-dihydroxy-26,27-dimethyl-19-norvitamin D3 analogs: Synthesis, biological evaluation, and crystal structure
Bioorg.Med.Chem., 16, 2008
2ZL9
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BU of 2zl9 by Molmil
2-Substituted-16-ene-22-thia-1alpha,25-dihydroxy-26,27-dimethyl-19-norvitamin D3 analogs: Synthesis, biological evaluation and crystal structure
Descriptor: (1R,2R,3R,5Z)-17-{(1S)-1-[(2-ethyl-2-hydroxybutyl)sulfanyl]ethyl}-2-(2-hydroxyethoxy)-9,10-secoestra-5,7,16-triene-1,3-diol, Coactivator peptide DRIP, Vitamin D3 receptor
Authors:Shimizu, M, Miyamoto, Y, Nakabayashi, M, Masuno, H, Ikura, T, Ito, N.
Deposit date:2008-04-04
Release date:2008-06-24
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:2-Substituted-16-ene-22-thia-1alpha,25-dihydroxy-26,27-dimethyl-19-norvitamin D3 analogs: Synthesis, biological evaluation, and crystal structure
Bioorg.Med.Chem., 16, 2008
2ZLC
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BU of 2zlc by Molmil
2-Substituted-16-ene-22-thia-1alpha,25-dihydroxy-26,27-dimethyl-19-norvitamin D3 analogs: Synthesis, biological evaluation and crystal structure
Descriptor: 5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANE-1,3-DIOL, Coactivator peptide DRIP, Vitamin D3 receptor
Authors:Shimizu, M, Miyamoto, Y, Nakabayashi, M, Masuno, H, Ikura, T, Ito, N.
Deposit date:2008-04-04
Release date:2008-06-24
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:2-Substituted-16-ene-22-thia-1alpha,25-dihydroxy-26,27-dimethyl-19-norvitamin D3 analogs: Synthesis, biological evaluation, and crystal structure
Bioorg.Med.Chem., 16, 2008
3W4S
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BU of 3w4s by Molmil
Myo-inositol kinase from Thermococcus kodakarensis
Descriptor: Carbohydrate/pyrimidine kinase, PfkB family, IODIDE ION
Authors:Fujihashi, M, Miyamoto, Y, Miki, K.
Deposit date:2013-01-10
Release date:2017-02-22
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:An uncharacterized member of the ribokinase family in Thermococcus kodakarensis exhibits myo-inositol kinase activity.
J.Biol.Chem., 288, 2013
3O95
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BU of 3o95 by Molmil
Crystal Structure of Human DPP4 Bound to TAK-100
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Yano, J.K, Aertgeerts, K.
Deposit date:2010-08-03
Release date:2011-01-26
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Discovery of a 3-Pyridylacetic Acid Derivative (TAK-100) as a Potent, Selective and Orally Active Dipeptidyl Peptidase IV (DPP-4) Inhibitor.
J.Med.Chem., 53, 2011
3O9V
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BU of 3o9v by Molmil
Crystal Structure of Human DPP4 Bound to TAK-986
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)pyridine-3-carboxic acid, ...
Authors:Yano, J.K, Aertgeerts, K.
Deposit date:2010-08-04
Release date:2011-02-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Discovery of a 3-Pyridylacetic Acid Derivative (TAK-100) as a Potent, Selective and Orally Active Dipeptidyl Peptidase IV (DPP-4) Inhibitor.
J.Med.Chem., 53, 2011
2KTD
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BU of 2ktd by Molmil
Solution structure of mouse lipocalin-type prostaglandin D synthase / substrate analog (U-46619) complex
Descriptor: (5Z)-7-{(1R,4S,5S,6R)-6-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-2-oxabicyclo[2.2.1]hept-5-yl}hept-5-enoic acid, Prostaglandin-H2 D-isomerase
Authors:Shimamoto, S, Maruo, H, Yoshida, T, Kato, N, Ohkubo, T.
Deposit date:2010-01-27
Release date:2011-02-02
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Solution Structure of Lipocalin-type Prostaglandin D synthase / Substrate analog complex reveals Open-Closed Conformational Change required for Substrate Recognition
To be Published
3OPM
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BU of 3opm by Molmil
Crystal Structure of Human DPP4 Bound to TAK-294
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-{[3-(aminomethyl)-2-(2-methylpropyl)-1-oxo-4-phenyl-1,2-dihydroisoquinolin-6-yl]oxy}acetamide, ...
Authors:Yano, J.K, Aertgeerts, K.
Deposit date:2010-09-01
Release date:2011-10-19
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.72 Å)
Cite:Identification of 3-aminomethyl-1,2-dihydro-4-phenyl-1-isoquinolones: a new class of potent, selective, and orally active non-peptide dipeptidyl peptidase IV inhibitors that form a unique interaction with Lys554.
Bioorg.Med.Chem., 19, 2011
8HB5
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BU of 8hb5 by Molmil
Crystal structure of Mincle in complex with HD-275
Descriptor: (2~{R},3~{R},4~{S},5~{S},6~{R})-6-(methoxymethyl)oxane-2,3,4,5-tetrol, C-type lectin domain family 4 member E, CALCIUM ION
Authors:Ishizuka, S, Nagae, M, Yamasaki, S.
Deposit date:2022-10-27
Release date:2023-08-09
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:PGL-III, a Rare Intermediate of Mycobacterium leprae Phenolic Glycolipid Biosynthesis, Is a Potent Mincle Ligand.
Acs Cent.Sci., 9, 2023
8H4V
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BU of 8h4v by Molmil
Mincle CRD complex with PGL trisaccharide
Descriptor: (2~{R},3~{R},4~{S},5~{S},6~{R})-6-(methoxymethyl)oxane-2,3,4,5-tetrol-(1-4)-6-deoxy-2,3-di-O-methyl-alpha-L-mannopyranose-(1-2)-3-O-methyl-alpha-L-rhamnopyranose, C-type lectin domain family 4 member E, CALCIUM ION
Authors:Ishizuka, S, Nagae, M, Yamasaki, S.
Deposit date:2022-10-11
Release date:2023-08-09
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:PGL-III, a Rare Intermediate of Mycobacterium leprae Phenolic Glycolipid Biosynthesis, Is a Potent Mincle Ligand.
Acs Cent.Sci., 9, 2023
3VT4
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BU of 3vt4 by Molmil
Crystal structures of rat VDR-LBD with R270L mutation
Descriptor: (1R,2Z,3R,5E,7E)-17-{(1S)-1-[(2-ethyl-2-hydroxybutyl)sulfanyl]ethyl}-2-(2-hydroxyethylidene)-9,10-secoestra-5,7,16-triene-1,3-diol, COACTIVATOR PEPTIDE DRIP, Vitamin D3 receptor
Authors:Nakabayashi, M, Shimizu, M, Ikura, T, Ito, N.
Deposit date:2012-05-19
Release date:2013-05-22
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structures of hereditary vitamin D-resistant rickets-associated vitamin D receptor mutants R270L and W282R bound to 1,25-dihydroxyvitamin D3 and synthetic ligands.
J.Med.Chem., 56, 2013
3VT7
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BU of 3vt7 by Molmil
Crystal structures of rat VDR-LBD with W282R mutation
Descriptor: 5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANE-1,3-DIOL, COACTIVATOR PEPTIDE DRIP, Vitamin D3 receptor
Authors:Nakabayashi, M, Shimizu, M, Ikura, T, Ito, N.
Deposit date:2012-05-19
Release date:2013-05-22
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal structures of hereditary vitamin D-resistant rickets-associated vitamin D receptor mutants R270L and W282R bound to 1,25-dihydroxyvitamin D3 and synthetic ligands.
J.Med.Chem., 56, 2013
3VT5
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BU of 3vt5 by Molmil
Crystal structures of rat VDR-LBD with R270L mutation
Descriptor: (1R,2E,3R,5Z,7E)-17-{(1S)-1-[(2-ethyl-2-hydroxybutyl)sulfanyl]ethyl}-2-(2-hydroxyethylidene)-9,10-secoestra-5,7,16-triene-1,3-diol, COACTIVATOR PEPTIDE DRIP, Vitamin D3 receptor
Authors:Nakabayashi, M, Shimizu, M, Ikura, T, Ito, N.
Deposit date:2012-05-19
Release date:2013-05-22
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Crystal structures of hereditary vitamin D-resistant rickets-associated vitamin D receptor mutants R270L and W282R bound to 1,25-dihydroxyvitamin D3 and synthetic ligands.
J.Med.Chem., 56, 2013
3VT6
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BU of 3vt6 by Molmil
Crystal structure of rat VDR-LBD with 2-Substituted-16-ene-22-thia-1alpha,25-dihydroxy-26,27-dimethyl-19-norvitamin D3
Descriptor: (1R,2Z,3R,5E,7E)-17-{(1S)-1-[(2-ethyl-2-hydroxybutyl)sulfanyl]ethyl}-2-(2-hydroxyethylidene)-9,10-secoestra-5,7,16-triene-1,3-diol, COACTIVATOR PEPTIDE DRIP, Vitamin D3 receptor
Authors:Nakabayashi, M, Shimizu, M, Ikura, T, Ito, N.
Deposit date:2012-05-19
Release date:2013-05-22
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structures of hereditary vitamin D-resistant rickets-associated vitamin D receptor mutants R270L and W282R bound to 1,25-dihydroxyvitamin D3 and synthetic ligands.
J.Med.Chem., 56, 2013
3VT3
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BU of 3vt3 by Molmil
Crystal structures of rat VDR-LBD with R270L mutation
Descriptor: 1,2-ETHANEDIOL, 5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANE-1,3-DIOL, COACTIVATOR PEPTIDE DRIP, ...
Authors:Nakabayashi, M, Shimizu, M, Ikura, T, Ito, N.
Deposit date:2012-05-19
Release date:2013-05-22
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structures of hereditary vitamin D-resistant rickets-associated vitamin D receptor mutants R270L and W282R bound to 1,25-dihydroxyvitamin D3 and synthetic ligands.
J.Med.Chem., 56, 2013
3VT9
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Crystal structures of rat VDR-LBD with W282R mutation
Descriptor: (1R,2Z,3R,5E,7E,9beta,17beta)-2-(2-hydroxyethylidene)-17-[(2R)-6-hydroxy-6-methylheptan-2-yl]-9-(prop-2-en-1-yl)-9,10-secoestra-5,7-diene-1,3-diol, COACTIVATOR PEPTIDE DRIP, Vitamin D3 receptor
Authors:Nakabayashi, M, Shimizu, M, Ikura, T, Ito, N.
Deposit date:2012-05-19
Release date:2013-05-22
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Crystal structures of hereditary vitamin D-resistant rickets-associated vitamin D receptor mutants R270L and W282R bound to 1,25-dihydroxyvitamin D3 and synthetic ligands.
J.Med.Chem., 56, 2013
3VT8
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BU of 3vt8 by Molmil
Crystal structures of rat VDR-LBD with W282R mutation
Descriptor: (1R,3R,7E,9beta,17beta)-9-butyl-17-[(2R)-6-hydroxy-6-methylheptan-2-yl]-9,10-secoestra-5,7-diene-1,3-diol, COACTIVATOR PEPTIDE DRIP, Vitamin D3 receptor
Authors:Nakabayashi, M, Shimizu, M, Ikura, T, Ito, N.
Deposit date:2012-05-19
Release date:2013-05-22
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structures of hereditary vitamin D-resistant rickets-associated vitamin D receptor mutants R270L and W282R bound to 1,25-dihydroxyvitamin D3 and synthetic ligands.
J.Med.Chem., 56, 2013

217705

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