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5H3A
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BU of 5h3a by Molmil
Structural analysis of KSHV thymidylate synthase
分子名称: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, ORF70, TOMUDEX
著者Choi, Y.M, Yeo, H.K, Park, Y.W, Lee, J.Y.
登録日2016-10-21
公開日2017-01-18
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural Analysis of Thymidylate Synthase from Kaposi's Sarcoma-Associated Herpesvirus with the Anticancer Drug Raltitrexed.
PLoS ONE, 11, 2016
5H39
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BU of 5h39 by Molmil
Structural analysis of KSHV thymidylate synthase
分子名称: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, ORF70
著者Choi, Y.M, Yeo, H.K, Park, Y.W, Lee, J.Y.
登録日2016-10-21
公開日2017-01-18
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural Analysis of Thymidylate Synthase from Kaposi's Sarcoma-Associated Herpesvirus with the Anticancer Drug Raltitrexed.
PLoS ONE, 11, 2016
5H38
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BU of 5h38 by Molmil
Structural analysis of KSHV thymidylate synthase
分子名称: ORF70, PHOSPHATE ION
著者Choi, Y.M, Yeo, H.K, Park, Y.W, Lee, J.Y.
登録日2016-10-21
公開日2017-01-18
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural Analysis of Thymidylate Synthase from Kaposi's Sarcoma-Associated Herpesvirus with the Anticancer Drug Raltitrexed.
PLoS ONE, 11, 2016
7KIL
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BU of 7kil by Molmil
Crystal structure of the mouse lipin-1 M-Lip domain with zinc
分子名称: CHLORIDE ION, Isoform 2 of Phosphatidate phosphatase LPIN1, ZINC ION
著者Gu, W, Airola, M.V.
登録日2020-10-23
公開日2021-07-07
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.898 Å)
主引用文献The middle lipin domain adopts a membrane-binding dimeric protein fold.
Nat Commun, 12, 2021
7KIH
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BU of 7kih by Molmil
Crystal structure of the mouse lipin-1 M-Lip domain
分子名称: Isoform 2 of Phosphatidate phosphatase LPIN1
著者Gu, W, Airola, M.V.
登録日2020-10-23
公開日2021-07-07
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.467 Å)
主引用文献The middle lipin domain adopts a membrane-binding dimeric protein fold.
Nat Commun, 12, 2021
7KIQ
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BU of 7kiq by Molmil
Crystal structure of the mouse lipin-2 M-Lip domain
分子名称: CALCIUM ION, Phosphatidate phosphatase LPIN2
著者Yang, J.W, Gu, W, Airola, M.V.
登録日2020-10-24
公開日2021-07-07
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.523 Å)
主引用文献The middle lipin domain adopts a membrane-binding dimeric protein fold.
Nat Commun, 12, 2021
3L5T
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BU of 3l5t by Molmil
Crystal structure of macrophage migration inhibitory factor (MIF) with thiophenepiperazinylquinolinone inhibitor at 1.86A resolution
分子名称: 1-methyl-2-oxo-4-[4-(thiophen-2-ylcarbonyl)piperazin-1-yl]-1,2-dihydroquinoline-3-carbonitrile, Macrophage migration inhibitory factor, SULFATE ION
著者McLean, L, Zhang, Y.
登録日2009-12-22
公開日2010-03-09
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Fragment screening of inhibitors for MIF tautomerase reveals a cryptic surface binding site.
Bioorg.Med.Chem.Lett., 20, 2010
3L5R
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BU of 3l5r by Molmil
Crystal structure of macrophage migration inhibitory factor (MIF) with phenylchromenone inhibitor at 1.94A resolution
分子名称: 3-(3,4-dihydroxyphenyl)-7-hydroxy-4H-chromen-4-one, GLYCEROL, Macrophage migration inhibitory factor, ...
著者McLean, L, Zhang, Y.
登録日2009-12-22
公開日2010-03-09
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Fragment screening of inhibitors for MIF tautomerase reveals a cryptic surface binding site.
Bioorg.Med.Chem.Lett., 20, 2010
3L5U
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BU of 3l5u by Molmil
Crystal structure of macrophage migration inhibitory factor (MIF) with benzothiazole inhibitor at 1.90A resolution
分子名称: 6-HYDROXY-1,3-BENZOTHIAZOLE-2-SULFONAMIDE, Macrophage migration inhibitory factor, SULFATE ION
著者McLean, L, Zhang, Y.
登録日2009-12-22
公開日2010-03-09
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Fragment screening of inhibitors for MIF tautomerase reveals a cryptic surface binding site.
Bioorg.Med.Chem.Lett., 20, 2010
3L5S
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BU of 3l5s by Molmil
Crystal structure of macrophage migration inhibitory factor (MIF) with imidazopyrimidinylphenyl inhibitor at 1.86A resolution
分子名称: 5-ethyl-2-(phenylcarbonyl)imidazo[1,2-a]pyrimidin-7(1H)-one, Macrophage migration inhibitory factor, SULFATE ION
著者McLean, L, Zhang, Y.
登録日2009-12-22
公開日2010-03-09
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Fragment screening of inhibitors for MIF tautomerase reveals a cryptic surface binding site.
Bioorg.Med.Chem.Lett., 20, 2010
3L5V
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BU of 3l5v by Molmil
Crystal structure of macrophage migration inhibitory factor (MIF) with glycerol at 1.70A resolution
分子名称: GLYCEROL, Macrophage migration inhibitory factor, SULFATE ION
著者McLean, L, Zhang, Y.
登録日2009-12-22
公開日2010-03-09
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Fragment screening of inhibitors for MIF tautomerase reveals a cryptic surface binding site.
Bioorg.Med.Chem.Lett., 20, 2010
3L5P
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BU of 3l5p by Molmil
Crystal structure of macrophage migration inhibitory factor (MIF) with imidazopyridazinol inhibitor at 1.80A resolution
分子名称: 2-(1-methylethyl)imidazo[1,2-b]pyridazin-6-ol, GLYCEROL, Macrophage migration inhibitory factor, ...
著者McLean, L, Zhang, Y.
登録日2009-12-22
公開日2010-03-09
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Fragment screening of inhibitors for MIF tautomerase reveals a cryptic surface binding site.
Bioorg.Med.Chem.Lett., 20, 2010
3JTU
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BU of 3jtu by Molmil
Crystal structure of macrophage migration inhibitory factor (mif) with hydroxyquinoline inhibitor 708 at 1.86a resolution
分子名称: 7-(pyridin-2-ylmethyl)quinolin-8-ol, Macrophage migration inhibitory factor, SULFATE ION
著者Mclean, L, Zhang, Y.
登録日2009-09-14
公開日2009-11-10
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Discovery of covalent inhibitors for MIF tautomerase via cocrystal structures with phantom hits from virtual screening.
Bioorg.Med.Chem.Lett., 19, 2009
3JSF
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BU of 3jsf by Molmil
Crystal structure of macrophage migration inhibitory factor (mif) with hydroxyquinoline inhibitor 638 at 1.93a resolution
分子名称: 7-(2-fluorobenzyl)quinolin-8-ol, Macrophage migration inhibitory factor, SULFATE ION
著者Mclean, L, Zhang, Y.
登録日2009-09-10
公開日2009-11-10
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Discovery of covalent inhibitors for MIF tautomerase via cocrystal structures with phantom hits from virtual screening.
Bioorg.Med.Chem.Lett., 19, 2009
3JSG
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BU of 3jsg by Molmil
Crystal structure of macrophage migration inhibitory factor (mif) with hydroxyquinoline inhibitor 707 at 1.58a resolution
分子名称: 7-(pyridin-3-ylmethyl)quinolin-8-ol, Macrophage migration inhibitory factor, SULFATE ION
著者Mclean, L, Zhang, Y.
登録日2009-09-10
公開日2009-11-10
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Discovery of covalent inhibitors for MIF tautomerase via cocrystal structures with phantom hits from virtual screening.
Bioorg.Med.Chem.Lett., 19, 2009
3V5L
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BU of 3v5l by Molmil
Crystal Structure of Interleukin-2 Inducible T-cell Kinase Itk Catalytic Domain with Thienopyrazolylindole Inhibitor 542
分子名称: 3-[3-(4-methoxyphenyl)-2-(1H-thieno[3,2-c]pyrazol-3-yl)-1H-indol-6-yl]pentan-3-ol, SULFATE ION, Tyrosine-protein kinase ITK/TSK
著者McLean, L.R, Zhang, Y.
登録日2011-12-16
公開日2012-05-02
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献X-ray crystallographic structure-based design of selective thienopyrazole inhibitors for interleukin-2-inducible tyrosine kinase.
Bioorg.Med.Chem.Lett., 22, 2012
3VF8
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BU of 3vf8 by Molmil
Crystal Structure of Spleen Tyrosine Kinase Syk Catalytic Domain with Pyrazolylbenzimidazole Inhibitor 416
分子名称: 3-[5-(5-ethoxy-6-fluoro-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1,1-diethylurea, Tyrosine-protein kinase SYK
著者McLean, L.R, Zhang, Y.
登録日2012-01-09
公開日2012-05-02
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献X-ray crystallographic structure-based design of selective thienopyrazole inhibitors for interleukin-2-inducible tyrosine kinase.
Bioorg.Med.Chem.Lett., 22, 2012
3V8W
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BU of 3v8w by Molmil
Crystal Structure of Interleukin-2 Inducible T-cell Kinase Itk Catalytic Domain with Thienopyrazolylindole Inhibitor 469
分子名称: 3-[2-(5-phenyl-2H-thieno[3,2-c]pyrazol-3-yl)-1H-indol-6-yl]pentan-3-ol, SULFATE ION, Tyrosine-protein kinase ITK/TSK
著者McLean, L.R, Zhang, Y.
登録日2011-12-23
公開日2012-05-02
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献X-ray crystallographic structure-based design of selective thienopyrazole inhibitors for interleukin-2-inducible tyrosine kinase.
Bioorg.Med.Chem.Lett., 22, 2012
3V8T
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BU of 3v8t by Molmil
Crystal Structure of Interleukin-2 Inducible T-cell Kinase Itk Catalytic Domain with Thienopyrazolylindole Inhibitor 477
分子名称: 3-{2-[5-(difluoromethyl)-2H-thieno[3,2-c]pyrazol-3-yl]-1H-indol-6-yl}pentan-3-ol, SULFATE ION, Tyrosine-protein kinase ITK/TSK
著者McLean, L.R, Zhang, Y.
登録日2011-12-23
公開日2012-05-02
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献X-ray crystallographic structure-based design of selective thienopyrazole inhibitors for interleukin-2-inducible tyrosine kinase.
Bioorg.Med.Chem.Lett., 22, 2012
3V5J
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BU of 3v5j by Molmil
Crystal Structure of Interleukin-2 Inducible T-cell Kinase Itk Catalytic Domain with Thienopyrazolylindole Inhibitor 090
分子名称: 3-[4-(2-morpholin-4-ylethoxy)-2-(1~{H}-thieno[3,2-c]pyrazol-3-yl)-1~{H}-indol-6-yl]pentan-3-ol, SULFATE ION, Tyrosine-protein kinase ITK/TSK
著者McLean, L.R, Zhang, Y.
登録日2011-12-16
公開日2012-05-02
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献X-ray crystallographic structure-based design of selective thienopyrazole inhibitors for interleukin-2-inducible tyrosine kinase.
Bioorg.Med.Chem.Lett., 22, 2012
3VF9
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BU of 3vf9 by Molmil
Crystal Structure of Spleen Tyrosine Kinase Syk Catalytic Domain with Thienopyrazolylindole Inhibitor 027
分子名称: 3-{2-[5-(difluoromethyl)-2H-thieno[3,2-c]pyrazol-3-yl]-1H-indol-6-yl}pentan-3-ol, Tyrosine-protein kinase SYK
著者McLean, L.R, Zhang, Y.
登録日2012-01-09
公開日2012-05-02
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献X-ray crystallographic structure-based design of selective thienopyrazole inhibitors for interleukin-2-inducible tyrosine kinase.
Bioorg.Med.Chem.Lett., 22, 2012

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