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3LD8
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BU of 3ld8 by Molmil
Structure of JMJD6 and Fab Fragments
分子名称: Bifunctional arginine demethylase and lysyl-hydroxylase JMJD6, FE (III) ION, GLYCEROL, ...
著者Hong, X, Zang, J, White, J, Kappler, J.W, Wang, C, Zhang, G.
登録日2010-01-12
公開日2010-08-04
最終更新日2012-06-20
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Interaction of JMJD6 with single-stranded RNA.
Proc.Natl.Acad.Sci.USA, 107, 2010
3LDB
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BU of 3ldb by Molmil
Structure of JMJD6 complexd with ALPHA-KETOGLUTARATE and Fab Fragment.
分子名称: 2-OXOGLUTARIC ACID, Bifunctional arginine demethylase and lysyl-hydroxylase JMJD6, FE (III) ION, ...
著者Hong, X, Zang, J, White, J, Kappler, J.W, Wang, C, Zhang, G.
登録日2010-01-12
公開日2010-08-04
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Interaction of JMJD6 with single-stranded RNA.
Proc.Natl.Acad.Sci.USA, 107, 2010
447D
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BU of 447d by Molmil
5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'
分子名称: 2'-(4-DIMETHYLAMINOPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE, DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3')
著者Squire, C.J, Baker, L.J, Clark, G.R, Martin, R.F, White, J.
登録日1999-01-18
公開日2000-03-06
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structures of m-iodo Hoechst-DNA complexes in crystals with reduced solvent content: implications for minor groove binder drug design.
Nucleic Acids Res., 28, 2000
444D
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BU of 444d by Molmil
5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3', BENZIMIDAZOLE DERIVATIVE COMPLEX
分子名称: 2'-(3-IODO-4-METHOXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE, DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3')
著者Clark, G.R, Squire, C.J, Martin, R.F, White, J.
登録日1999-01-14
公開日2000-02-02
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structures of m-iodo Hoechst-DNA complexes in crystals with reduced solvent content: implications for minor groove binder drug design.
Nucleic Acids Res., 28, 2000
442D
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BU of 442d by Molmil
5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3', BENZIMIDAZOLE DERIVATIVE COMPLEX
分子名称: 2'-(3-IODO-4-METHOXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE, DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), MAGNESIUM ION
著者Clark, G.R, Squire, C.J, Martin, R.F, White, J.
登録日1999-01-14
公開日2000-02-02
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structures of m-iodo Hoechst-DNA complexes in crystals with reduced solvent content: implications for minor groove binder drug design.
Nucleic Acids Res., 28, 2000
449D
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BU of 449d by Molmil
5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3', BENZIMIDAZOLE DERIVATIVE COMPLEX
分子名称: 2'-(3-IODOPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE, DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3')
著者Squire, C.J, Baker, L.J, Clark, G.R, Martin, R.F, White, J.
登録日1999-01-20
公開日2000-02-02
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structures of m-iodo Hoechst-DNA complexes in crystals with reduced solvent content: implications for minor groove binder drug design.
Nucleic Acids Res., 28, 2000
445D
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BU of 445d by Molmil
5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3', Benzimidazole derivative complex
分子名称: 2'-(3-IODOPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE, DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3')
著者Squire, C.J, Baker, L.J, Clark, G.R, Martin, R.F, White, J.
登録日1999-01-14
公開日2000-02-02
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structures of m-iodo Hoechst-DNA complexes in crystals with reduced solvent content: implications for minor groove binder drug design.
Nucleic Acids Res., 28, 2000
448D
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BU of 448d by Molmil
5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3', BENZIMIDAZOLE DERIVATIVE COMPLEX
分子名称: 2'-(3-IODO-4-METHOXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE, DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3')
著者Clark, G.R, Squire, C.J, Martin, R.F, White, J.
登録日1999-01-20
公開日2000-02-02
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structures of m-iodo Hoechst-DNA complexes in crystals with reduced solvent content: implications for minor groove binder drug design.
Nucleic Acids Res., 28, 2000
443D
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BU of 443d by Molmil
5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'/ BENZIMIDAZOLE DERIVATIVE COMPLEX
分子名称: 2'-(3-IODOPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE, DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), MAGNESIUM ION
著者Squire, C.J, Baker, L.J, Clark, G.R, Martin, R.F, White, J.
登録日1999-01-14
公開日2000-02-02
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structures of m-iodo Hoechst-DNA complexes in crystals with reduced solvent content: implications for minor groove binder drug design.
Nucleic Acids Res., 28, 2000
1OK1
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BU of 1ok1 by Molmil
Decay accelerating factor (cd55) : the structure of an intact human complement regulator.
分子名称: ACETATE ION, COMPLEMENT DECAY-ACCELERATING FACTOR, GLYCEROL, ...
著者Lukacik, P, Roversi, P, White, J, Esser, D, Smith, G.P, Billington, J, Williams, P.A, Rudd, P.M, Wormald, M.R, Crispin, M.D.M, Radcliffe, C.M, Dwek, R.A, Evans, D.J, Morgan, B.P, Smith, R.A.G, Lea, S.M.
登録日2003-07-16
公開日2004-01-07
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Complement Regulation at the Molecular Level: The Structure of Decay-Accelerating Factor
Proc.Natl.Acad.Sci.USA, 101, 2004
1OJW
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BU of 1ojw by Molmil
Decay accelerating factor (CD55): the structure of an intact human complement regulator.
分子名称: COMPLEMENT DECAY-ACCELERATING FACTOR, GLYCEROL, SULFATE ION
著者Lukacik, P, Roversi, P, White, J, Esser, D, Smith, G.P, Billington, J, Williams, P.A, Rudd, P.M, Wormald, M.R, Crispin, M.D.M, Radcliffe, C.M, Dwek, C.M, Evans, D.J, Morgan, B.P, Smith, R.A.G, Lea, S.M.
登録日2003-07-16
公開日2004-01-07
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Complement Regulation at the Molecular Level: The Structure of Decay-Accelerating Factor
Proc.Natl.Acad.Sci.USA, 101, 2004
1OK9
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BU of 1ok9 by Molmil
Decay accelerating factor (CD55): The structure of an intact human complement regulator.
分子名称: ACETATE ION, CHLORIDE ION, COMPLEMENT DECAY-ACCELERATING FACTOR, ...
著者Lukacik, P, Roversi, P, White, J, Esser, D, Smith, G.P, Billington, J, Williams, P.A, Rudd, P.M, Wormald, M.R, Crispin, M.D.M, Radcliffe, C.M, Dwek, R.A, Evans, D.J, Morgan, B.P, Smith, R.A.G, Lea, S.M.
登録日2003-07-21
公開日2004-01-07
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Complement Regulation at the Molecular Level: The Structure of Decay-Accelerating Factor
Proc.Natl.Acad.Sci.USA, 101, 2004
1OK3
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BU of 1ok3 by Molmil
Decay accelerating factor (cd55): the structure of an intact human complement regulator.
分子名称: ACETATE ION, COMPLEMENT DECAY-ACCELERATING FACTOR, GLYCEROL, ...
著者Lukacik, P, Roversi, P, White, J, Esser, D, Smith, G.P, Billington, J, Williams, P.A, Rudd, P.M, Wormald, M.R, Crispin, M.D.M, Radcliffe, C.M, Dwek, R.A, Evans, D.J, Morgan, B.P, Smith, R.A.G, Lea, S.M.
登録日2003-07-16
公開日2004-01-07
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Complement Regulation at the Molecular Level: The Structure of Decay-Accelerating Factor
Proc.Natl.Acad.Sci.USA, 101, 2004
1OJY
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BU of 1ojy by Molmil
Decay accelerating factor (cd55): the structure of an intact human complement regulator.
分子名称: ACETATE ION, COMPLEMENT DECAY-ACCELERATING FACTOR, GLYCEROL, ...
著者Lukacik, P, Roversi, P, White, J, Esser, D, Smith, G.P, Billington, J, Williams, P.A, Rudd, P.M, Wormald, M.R, Crispin, M.D.M, Radcliffe, C.M, Dwek, R.A, Evans, D.J, Morgan, B.P, Smith, R.A.G, Lea, S.M.
登録日2003-07-16
公開日2004-01-07
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Complement Regulation at the Molecular Level: The Structure of Decay-Accelerating Factor
Proc.Natl.Acad.Sci.USA, 101, 2004
1OJV
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BU of 1ojv by Molmil
Decay accelerating factor (CD55): the structure of an intact human complement regulator.
分子名称: ACETATE ION, COMPLEMENT DECAY-ACCELERATING FACTOR, GLYCEROL, ...
著者Lukacik, P, Roversi, P, White, J, Esser, D, Smith, G.P, Billington, J, Williams, P.A, Rudd, P.M, Wormald, M.R, Crispin, M.D.M, Radcliffe, C.M, Dwek, C.M, Evans, D.J, Morgan, B.P, Smith, R.A.G, Lea, S.M.
登録日2003-07-16
公開日2004-01-07
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Complement Regulation at the Molecular Level: The Structure of Decay-Accelerating Factor
Proc.Natl.Acad.Sci.USA, 101, 2004
1OK2
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BU of 1ok2 by Molmil
Decay accelerating factor (CD55): the structure of an intact human complement regulator.
分子名称: ACETATE ION, COMPLEMENT DECAY-ACCELERATING FACTOR, GLYCEROL, ...
著者Lukacik, P, Roversi, P, White, J, Esser, D, Smith, G.P, Billington, J, Williams, P.A, Rudd, P.M, Wormald, M.R, Crispin, M.D.M, Radcliffe, C.M, Dwek, R.A, Evans, D.J, Morgan, B.P, Smith, R.A.G, Lea, S.M.
登録日2003-07-16
公開日2004-01-07
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Complement Regulation at the Molecular Level: The Structure of Decay-Accelerating Factor
Proc.Natl.Acad.Sci.USA, 101, 2004
6E0B
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BU of 6e0b by Molmil
Plasmodium falciparum dihydroorotate dehydrogenase C276F mutant bound with triazolopyrimidine-based inhibitor DSM1
分子名称: 5-methyl-7-(naphthalen-2-ylamino)-1H-[1,2,4]triazolo[1,5-a]pyrimidine-3,8-diium, Dihydroorotate dehydrogenase (quinone), mitochondrial, ...
著者Tomchick, D.R, Phillips, M.A, Deng, X.
登録日2018-07-06
公開日2018-11-14
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.099 Å)
主引用文献Identification and Mechanistic Understanding of Dihydroorotate Dehydrogenase Point Mutations in Plasmodium falciparum that Confer in Vitro Resistance to the Clinical Candidate DSM265.
ACS Infect Dis, 5, 2019
5FI8
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BU of 5fi8 by Molmil
Crystal structure of plasmodium falciparum dihydroorotate dehydrogenase bounded with DSM422 (Tetrahydro-2-naphthyl and 2-indanyl triazolopyrimidine)
分子名称: 2-[1,1-bis(fluoranyl)ethyl]-~{N}-[(2~{S})-7-bromanyl-1,2,3,4-tetrahydronaphthalen-2-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine, Dihydroorotate dehydrogenase (quinone), mitochondrial, ...
著者Deng, X, Kokkonda, S, Tomchick, D, Phillips, M.
登録日2015-12-22
公開日2016-05-18
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献Tetrahydro-2-naphthyl and 2-Indanyl Triazolopyrimidines Targeting Plasmodium falciparum Dihydroorotate Dehydrogenase Display Potent and Selective Antimalarial Activity.
J.Med.Chem., 59, 2016
6LDH
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BU of 6ldh by Molmil
REFINED CRYSTAL STRUCTURE OF DOGFISH M4 APO-LACTATE DEHYDROGENASE
分子名称: M4 APO-LACTATE DEHYDROGENASE, SULFATE ION
著者Abad-Zapatero, C, Rossmann, M.G.
登録日1987-11-25
公開日1989-07-12
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Refined crystal structure of dogfish M4 apo-lactate dehydrogenase.
J.Mol.Biol., 198, 1987
6DFW
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BU of 6dfw by Molmil
TCR 8F10 in complex with IAg7-p8G9E
分子名称: 8F10 alpha chain, 8F10 beta chain, H-2 class II histocompatibility antigen, ...
著者Wang, Y, Dai, S.
登録日2018-05-15
公開日2019-04-17
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献How C-terminal additions to insulin B-chain fragments create superagonists for T cells in mouse and human type 1 diabetes.
Sci Immunol, 4, 2019
6DFS
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BU of 6dfs by Molmil
mouse TCR I.29 in complex with IAg7-p8E9E6ss
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, H-2 class II histocompatibility antigen, A-D alpha chain, ...
著者Wang, Y, Dai, S.
登録日2018-05-15
公開日2019-04-17
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献How C-terminal additions to insulin B-chain fragments create superagonists for T cells in mouse and human type 1 diabetes.
Sci Immunol, 4, 2019
5TBO
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BU of 5tbo by Molmil
Crystal structure of Plasmodium falciparum dihydroorotate dehydrogenase bound with Inhibitor DSM421
分子名称: 2-(1,1-difluoroethyl)-5-methyl-N-[6-(trifluoromethyl)pyridin-3-yl][1,2,4]triazolo[1,5-a]pyrimidin-7-amine, Dihydroorotate dehydrogenase (quinone), mitochondrial, ...
著者Deng, X, Phillips, M.
登録日2016-09-12
公開日2016-09-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.151 Å)
主引用文献A Triazolopyrimidine-Based Dihydroorotate Dehydrogenase Inhibitor with Improved Drug-like Properties for Treatment and Prevention of Malaria.
ACS Infect Dis, 2, 2016
5BOO
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BU of 5boo by Molmil
Crystal structure of Plasmodium falciparum dihydroorotate dehydrogenase bound with Inhibitor DSM265
分子名称: 2-(1,1-difluoroethyl)-5-methyl-N-[4-(pentafluoro-lambda~6~-sulfanyl)phenyl][1,2,4]triazolo[1,5-a]pyrimidin-7-amine, Dihydroorotate dehydrogenase (quinone), mitochondrial, ...
著者Phillips, M, Deng, X, Tomchick, D.
登録日2015-05-27
公開日2015-07-29
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献A long-duration dihydroorotate dehydrogenase inhibitor (DSM265) for prevention and treatment of malaria.
Sci Transl Med, 7, 2015
6GJG
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BU of 6gjg by Molmil
Plasmodium falciparum dihydroorotate dehydrogenase DHODH in complex with 3,6-dimethyl-N-(4-(trifluoromethyl)phenyl)-(1,2)oxazolo(5,4-d)pyrimidin-4-amine
分子名称: 3,6-dimethyl-~{N}-[4-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine, Dihydroorotate dehydrogenase (quinone), mitochondrial, ...
著者Rowland, P.
登録日2018-05-16
公開日2018-09-19
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Isoxazolopyrimidine-Based Inhibitors ofPlasmodium falciparumDihydroorotate Dehydrogenase with Antimalarial Activity.
ACS Omega, 3, 2018
6VTN
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Crystal structure of Plasmodium falciparum dihydroorotate dehydrogenase bound with Inhibitor DSM557
分子名称: Dihydroorotate dehydrogenase (quinone), mitochondrial, FLAVIN MONONUCLEOTIDE, ...
著者Deng, X, Phillips, M.
登録日2020-02-13
公開日2020-04-22
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Lead Optimization of a Pyrrole-Based Dihydroorotate Dehydrogenase Inhibitor Series for the Treatment of Malaria.
J.Med.Chem., 63, 2020

 

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