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5GT4
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BU of 5gt4 by Molmil
Crystal structure of the human vitamin D receptor ligand binding domain complexed with (1R,2S,3R,5Z,7E,14beta,17alpha)-2-cyanopropoxy-9,10-secocholesta-5,7,10-triene-1,3,25-triol
分子名称: 4-{[(1R,2S,3R,5Z,7E,14beta,17alpha)-1,3,25-trihydroxy-9,10-secocholesta-5,7,10-trien-2-yl]oxy}butanenitrile, Vitamin D3 receptor
著者Takimoto-Kamimura, M.
登録日2016-08-18
公開日2016-11-09
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Crystal structure of the human vitamin D receptor ligand binding domain complexed with (1R,2S,3R,5Z,7E,14beta,17alpha)-2-cyanopropoxy-9,10-secocholesta-5,7,10-triene-1,3,25-triol
To Be Published
5XEJ
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BU of 5xej by Molmil
Crystal Structure of Macrophage Migration Inhibitory Factor bound to MTX
分子名称: (2~{R})-2-[[4-[[2,4-bis(azanyl)pteridin-6-yl]methyl-methyl-amino]phenyl]carbonylamino]pentanedioic acid, Macrophage migration inhibitory factor, SULFATE ION
著者Takimoto-Kamimura, M, Fukushima, K.
登録日2017-04-05
公開日2018-07-25
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure of macrophage migration inhibitory factor in complex with methotrexate.
Acta Crystallogr D Struct Biol, 77, 2021
1GGB
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BU of 1ggb by Molmil
MAJOR ANTIGEN-INDUCED DOMAIN REARRANGEMENTS IN AN ANTIBODY
分子名称: IGG2A-KAPPA 50.1 FAB (HEAVY CHAIN), IGG2A-KAPPA 50.1 FAB (LIGHT CHAIN)
著者Takimoto-Kamimura, M, Wilson, I.A.
登録日1993-07-19
公開日1993-10-31
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Major antigen-induced domain rearrangements in an antibody.
Structure, 1, 1993
1GGC
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BU of 1ggc by Molmil
MAJOR ANTIGEN-INDUCED DOMAIN REARRANGEMENTS IN AN ANTIBODY
分子名称: IGG2A-KAPPA 50.1 FAB (HEAVY CHAIN), IGG2A-KAPPA 50.1 FAB (LIGHT CHAIN)
著者Takimoto-Kamimura, M, Wilson, I.A.
登録日1993-07-19
公開日1993-10-31
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Major antigen-induced domain rearrangements in an antibody.
Structure, 1, 1993
5YSY
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BU of 5ysy by Molmil
Crystal structure of the human vitamin D receptor ligand binding domain complexed with (1R,2R,3R)-5-[(E)-2-{(1R,3aS,7aR)-1-[(R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,6,7,7a-hexahydro-1H-inden-4-yl}vinyl]-2-(3-hydroxypropyl)cyclohex-4-ene-1,3-diol
分子名称: (1R,2R,3R)-5-[(E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methyl-6-oxidanyl-heptan-2-yl]-1,2,3,3a,6,7-hexahydroinden-4-yl]e thenyl]-2-(3-oxidanylpropyl)cyclohex-4-ene-1,3-diol, Vitamin D3 receptor
著者Takimoto-Kamimura, M, Kakuda, S.
登録日2017-11-16
公開日2018-04-11
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Effects of 2-substitution on 14-epi-19-nortachysterol-mediated biological events: based on synthesis and X-ray co-crystallographic analysis with the human vitamin D receptor.
Org. Biomol. Chem., 16, 2018
5YT2
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BU of 5yt2 by Molmil
Crystal structure of the human vitamin D receptor ligand binding domain complexed with (1R,2S,3R)-5-[(E)-2-{(1R,3aS,7aR)-1-[(R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,6,7,7a-hexahydro-1H-inden-4-yl}vinyl]-2-(3-hydroxypropyl)cyclohex-4-ene-1,3-diol
分子名称: (1R,2S,3R)-5-[(E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methyl-6-oxidanyl-heptan-2-yl]-1,2,3,3a,6,7-hexahydroinden-4-yl]ethenyl]-2-(3-oxidanylpropyl)cyclohex-4-ene-1,3-diol, Vitamin D3 receptor
著者Takimoto-Kamimura, M, Kakuda, S.
登録日2017-11-16
公開日2018-04-11
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Effects of 2-substitution on 14-epi-19-nortachysterol-mediated biological events: based on synthesis and X-ray co-crystallographic analysis with the human vitamin D receptor.
Org. Biomol. Chem., 16, 2018
3X36
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BU of 3x36 by Molmil
Crystal structure of the human vitamin D receptor ligand binding domain complexed with 7,8-cis-1a,25-Dihydroxy-19-norvitamin D3
分子名称: (1R,3R)-5-[(2Z)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methyl-6-oxidanyl-heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]cyclohexane-1,3-diol, Vitamin D3 receptor
著者Takimoto-Kamimura, M, Kakuda, S.
登録日2015-01-16
公開日2016-01-20
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Revisiting the 7,8-cis-vitamin D3 derivatives: synthesis, evaluating the biological activity, and study of the binding configuration
To be Published
2Z7F
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BU of 2z7f by Molmil
Crystal structure of the complex of human neutrophil elastase with 1/2SLPI
分子名称: Antileukoproteinase, Leukocyte elastase, alpha-L-fucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose
著者Takimoto-Kamimura, M, Fukushima, K.
登録日2007-08-20
公開日2008-08-26
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Complex of human neutrophil elastase with 1/2SLPI
J.SYNCHROTRON RADIAT., 15, 2008
4U6O
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BU of 4u6o by Molmil
STRUCTURE OF THE CAP-BINDING DOMAIN OF INFLUENZA VIRUS POLYMERASE SUBUNIT PB2
分子名称: PHOSPHATE ION, Polymerase basic protein 2
著者Fukushima, K, Takimoto-Kamimura, M.
登録日2014-07-29
公開日2015-10-07
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献STRUCTURE OF THE CAP-BINDING DOMAIN OF INFLUENZA VIRUS POLYMERASE SUBUNIT PB2
To Be Published
4KP0
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BU of 4kp0 by Molmil
Crystal Structure of the human Chymase with TJK002
分子名称: 4-({1-[(4-methyl-1-benzothiophen-3-yl)methyl]-1H-benzimidazol-2-yl}sulfanyl)butanoic acid, Chymase
著者Kakuda, S, Takimoto-Kamimura, M.
登録日2013-05-12
公開日2013-10-30
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structure of a complex of human chymase with its benzimidazole derived inhibitor
J.SYNCHROTRON RADIAT., 20, 2013
4DOQ
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BU of 4doq by Molmil
Crystal structure of the complex of Porcine Pancreatic Trypsin with 1/2SLPI
分子名称: 3,6,9,12,15,18,21,24,27-NONAOXANONACOSANE-1,29-DIOL, Antileukoproteinase, CALCIUM ION, ...
著者Fukushima, K, Takimoto-Kamimura, M.
登録日2012-02-10
公開日2013-08-14
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure basis 1/2SLPI and porcine pancreas trypsin interaction
J.SYNCHROTRON RADIAT., 20, 2013
4ITE
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BU of 4ite by Molmil
Crystal structure of the human vitamin D receptor ligand binding domain complexed with 1alpha,25-Dihydroxy-2alpha-[2-(2H-tetrazol-2-yl)ethyl]vitamin D3
分子名称: (1R,2S,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methyl-6-oxidanyl-heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-2-[2-(1,2,3,4-tetrazol-2-yl)ethyl]cyclohexane-1,3-diol, Vitamin D3 receptor
著者Kakuda, S, Takimoto-Kamimura, M.
登録日2013-01-18
公開日2014-01-22
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Synthesis of 2 alpha-heteroarylalkyl active vitamin d3 with therapeutic effect on enhancing bone mineral density in vivo
ACS MED.CHEM.LETT., 4, 2013
4ITF
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BU of 4itf by Molmil
Crystal structure of the human vitamin D receptor ligand binding domain complexed with 1alpha,25-Dihydroxy-2alpha-[2-(1H-tetrazole-1-yl)ethyl]vitamin D3
分子名称: (1R,2S,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methyl-6-oxidanyl-heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-2-[2-(1,2,3,4-tetrazol-1-yl)ethyl]cyclohexane-1,3-diol, Vitamin D3 receptor
著者Kakuda, S, Takimoto-Kamimura, M.
登録日2013-01-18
公開日2014-01-22
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.84 Å)
主引用文献Synthesis of 2 alpha-heteroarylalkyl active vitamin d3 with therapeutic effect on enhancing bone mineral density in vivo
ACS MED.CHEM.LETT., 4, 2013
3VHW
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BU of 3vhw by Molmil
Crystal structure of the human vitamin D receptor ligand binding domain complexed with 4-MP
分子名称: Vitamin D3 receptor, methyl (1S,3E)-3-{(2R)-2-[(1R,3aS,4E,7aR)-4-{(2Z)-2-[(3R,4S,5R)-3,5-dihydroxy-4-(3-hydroxypropoxy)-2-methylidenecyclohexylidene]ethylidene}-7a-methyloctahydro-1H-inden-1-yl]propylidene}-1-ethyl-2-oxocyclopentanecarboxylate (non-preferred name)
著者Kakuda, S, Takimoto-Kamimura, M.
登録日2011-09-08
公開日2013-03-06
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献Synthesis of novel C-2 substituted vitamin D derivatives having ringed side chains and their biological evaluation on bone
J.Steroid Biochem.Mol.Biol., 136, 2013
3WBL
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BU of 3wbl by Molmil
Crystal structure of CDK2 in complex with pyrazolopyrimidine inhibitor
分子名称: ACETATE ION, Cyclin-dependent kinase 2, N~7~-(4-ethoxyphenyl)-6-methyl-N~5~-[(3S)-piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-5,7-diamine
著者Fujino, A, Fukushima, K, Kubota, T, Kosugi, T, Takimoto-Kamimura, M.
登録日2013-05-20
公開日2013-10-30
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of human cyclin-dependent kinase-2 complex with MK2 inhibitor TEI-I01800: insight into the selectivity.
J.SYNCHROTRON RADIAT., 20, 2013
3WWR
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BU of 3wwr by Molmil
Crystal structure of the human vitamin D receptor ligand binding domain complexed with 1-((((1S,2R,6R,Z)-2,6-dihydroxy-4-((E)-2-((1R,3aS,7aR)-1-((R)-6-hydroxy-6-methylheptan-2-yl)-7a-methylhexahydro-1H-inden-4(2H)-ylidene)ethylidene)-3-methylenecyclohexyl)oxy)methyl)cyclopropanecarbonitrile
分子名称: 1-({[(1R,2S,3R,5Z,7E,14beta,17alpha)-1,3,25-trihydroxy-9,10-secocholesta-5,7,10-trien-2-yl]oxy}methyl)cyclopropanecarbonitrile, Vitamin D3 receptor
著者Kakuda, S, Takimoto-Kamimura, M.
登録日2014-06-27
公開日2014-12-31
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.18 Å)
主引用文献Synthesis and biological activities of vitamin D3 derivatives with cyanoalkyl side chain at C-2 position.
J.Steroid Biochem.Mol.Biol., 148, 2015
3X31
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BU of 3x31 by Molmil
Crystal structure of the human vitamin D receptor ligand binding domain complexed with 7,8-cis-14-epi-1a,25-Dihydroxy-19-norvitamin D3
分子名称: (1R,3R,7Z,14beta,17alpha)-17-[(2R)-6-hydroxy-6-methylheptan-2-yl]-9,10-secoestra-5,7-diene-1,3-diol, Vitamin D3 receptor
著者Kakuda, S, Takimoto-Kamimura, M.
登録日2015-01-13
公開日2016-01-13
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Revisiting the 7,8-cis-vitamin D3 derivatives: synthesis, evaluating the biological activity, and study of the binding configuration
To be Published
3WI6
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BU of 3wi6 by Molmil
Crystal structure of MAPKAP Kinase-2 (MK2) in complex with non-selective inhibitor
分子名称: MAP kinase-activated protein kinase 2, N-[(3S)-piperidin-3-yl]-7,8-dihydro-6H-pyrazolo[1,5-a]pyrrolo[3,2-e]pyrimidin-5-amine
著者Fujino, A, Fukushima, K, Kubota, T, Matsumoto, Y, Takimoto-Kamimura, M.
登録日2013-09-06
公開日2013-12-18
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.99 Å)
主引用文献Structure of the beta-form of human MK2 in complex with the non-selective kinase inhibitor TEI-L03090
Acta Crystallogr.,Sect.F, 69, 2013
2ZFX
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Crystal structure of the rat vitamin D receptor ligand binding domain complexed with YR301 and a synthetic peptide containing the NR2 box of DRIP 205
分子名称: (2S)-3-{4-[1-ethyl-1-(4-{[(2R)-2-hydroxy-3,3-dimethylbutyl]oxy}-3-methylphenyl)propyl]-2-methylphenoxy}propane-1,2-diol, DRIP 205 NR2 box peptide, Vitamin D3 receptor
著者Kakuda, S, Takimoto-Kamimura, M.
登録日2008-01-15
公開日2009-01-20
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Structure of the ligand-binding domain of rat VDR in complex with the nonsecosteroidal vitamin D3 analogue YR301
Acta Crystallogr.,Sect.F, 64, 2008
3AUN
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BU of 3aun by Molmil
Crystal structure of the rat vitamin D receptor ligand binding domain complexed with YR335 and a synthetic peptide containing the NR2 box of DRIP 205
分子名称: (2R)-2-{4-[3-(4-{[(2R)-2-hydroxy-3,3-dimethylbutyl]oxy}-3-methylphenyl)pentan-3-yl]-2-methylphenoxy}butane-1,4-diol, DRIP 205 NR2 box peptide, Vitamin D3 receptor
著者Kakuda, S, Takimoto-Kamimura, M.
登録日2011-02-10
公開日2012-02-15
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Design, synthesis and X-ray crystallographic study of new nonsecosteroidal vitamin D receptor ligands
Bioorg.Med.Chem.Lett., 21, 2011
3AX8
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Crystal structure of the human vitamin D receptor ligand binding domain complexed with 15alpha-methoxy-1alpha,25-dihydroxyvitamin D3
分子名称: (1R,3S,5Z)-5-[(2E)-2-[(1R,3S,3aS,7aR)-1-[(2R)-6-hydroxy-6-methyl-heptan-2-yl]-3-methoxy-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol, Vitamin D3 receptor
著者Kakuda, S, Takimoto-Kamimura, M.
登録日2011-03-30
公開日2011-10-05
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献New C15-substituted active vitamin D3
Org.Lett., 13, 2011
3A2C
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BU of 3a2c by Molmil
Crystal structure of a pyrazolopyrimidine inhibitor complex bound to MAPKAP Kinase-2 (MK2)
分子名称: MAP kinase-activated protein kinase 2, N~7~-(4-ethoxyphenyl)-6-methyl-N~5~-[(3S)-piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-5,7-diamine, SULFATE ION
著者Fujino, A, Takimoto-Kamimura, M.
登録日2009-05-12
公開日2010-05-12
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural analysis of an MK2-inhibitor complex: insight into the regulation of the secondary structure of the Gly-rich loop by TEI-I01800
Acta Crystallogr.,Sect.D, 66, 2010
3A2J
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Crystal structure of the human vitamin D receptor (H305F/H397F) ligand binding domain complexed with TEI-9647
分子名称: (1S,3R,5Z,7E,20S,23S)-1,3-dihydroxy-23,26-epoxy-9,10-secocholesta-5,7,10,25(27)-tetraen-26-one, Vitamin D3 receptor
著者Kakuda, S, Takimoto-Kamimura, M.
登録日2009-05-20
公開日2010-05-26
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural basis of the histidine-mediated vitamin D receptor agonistic and antagonistic mechanisms of (23S)-25-dehydro-1alpha-hydroxyvitamin D(3)-26,23-lactone
Acta Crystallogr.,Sect.D, 66, 2010
3AUQ
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Crystal structure of the human vitamin D receptor ligand binding domain complexed with Yne-diene type analog of active 14-epi-2alpha-methyl-19-norvitamin D3
分子名称: (1R,2S,3R)-5-[2-[(1R,3aS,7aR)-1-[(2R)-6-hydroxy-6-methyl-heptan-2-yl]-7a-methyl-1,2,3,3a,6,7-hexahydroinden-4-yl]ethynyl]-2-methyl-cyclohex-4-ene-1,3-diol, Vitamin D3 receptor
著者Kakuda, S, Takimoto-Kamimura, M.
登録日2011-02-15
公開日2011-09-14
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.64 Å)
主引用文献Development of 14-epi-19-nortachysterol and its unprecedented binding configuration for the human vitamin D receptor
J.Am.Chem.Soc., 133, 2011
3AUR
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Crystal structure of the human vitamin D receptor ligand binding domain complexed with Yne-diene type analog of active 14-epi-2beta-methyl-19-norvitamin D3
分子名称: (1R,2S,3R)-5-[2-[(1R,3aS,7aR)-1-[(2R)-6-hydroxy-6-methyl-heptan-2-yl]-7a-methyl-1,2,3,3a,6,7-hexahydroinden-4-yl]ethynyl]-2-methyl-cyclohex-4-ene-1,3-diol, Vitamin D3 receptor
著者Kakuda, S, Takimoto-Kamimura, M.
登録日2011-02-15
公開日2011-09-14
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Development of 14-epi-19-nortachysterol and its unprecedented binding configuration for the human vitamin D receptor
J.Am.Chem.Soc., 133, 2011

 

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