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3R0I
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BU of 3r0i by Molmil
IspC in complex with an N-methyl-substituted hydroxamic acid
分子名称: 1-deoxy-D-xylulose 5-phosphate reductoisomerase, MANGANESE (II) ION, {(1S)-1-(3,4-difluorophenyl)-4-[hydroxy(methyl)amino]-4-oxobutyl}phosphonic acid
著者Behrendt, C.T, Kunfermann, A, Illarionova, V, Matheeussen, A, Pein, M.K, Graewert, T, Bacher, A, Eisenreich, W, Illarionov, B, Fischer, M, Maes, L, Groll, M, Kurz, T.
登録日2011-03-08
公開日2011-09-07
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Reverse Fosmidomycin Derivatives against the Antimalarial Drug Target IspC (Dxr).
J.Med.Chem., 54, 2011
8S65
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BU of 8s65 by Molmil
1-deoxy-D-xylulose 5-phosphate reductoisomerase (DXR) as target for anti Toxoplasma gondii compounds: crystal structure, biochemical characterization and biological evaluation of inhibitors
分子名称: 1-deoxy-D-xylulose-5-phosphate reductoisomerase, 3-[FORMYL(HYDROXY)AMINO]PROPYLPHOSPHONIC ACID, CHLORIDE ION, ...
著者Mazzone, F, Hoeppner, A, Reiners, J, Applegate, V, Abdullaziz, M, Gottstein, J, Wesemann, M, Kurz, T, Smits, S.H, Pfeffer, K.
登録日2024-02-26
公開日2024-08-21
最終更新日2024-09-04
実験手法SOLUTION SCATTERING (2.56 Å), X-RAY DIFFRACTION
主引用文献1-Deoxy-d-xylulose 5-phosphate reductoisomerase as target for anti Toxoplasma gondii agents: crystal structure, biochemical characterization and biological evaluation of inhibitors.
Biochem.J., 481, 2024
3O6B
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BU of 3o6b by Molmil
A Dual E3 Mechanism for Rub1 Ligation to Cdc53: Dcn1(P)-Cdc53(WHB) low resolution
分子名称: Cell division control protein 53, Defective in cullin neddylation protein 1
著者Scott, D.C, Monda, J.K, Grace, C.R.R, Duda, D.M, Kriwacki, R.W, Kurz, T, Schulman, B.A.
登録日2010-07-28
公開日2010-09-15
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献A dual E3 mechanism for Rub1 ligation to Cdc53.
Mol.Cell, 39, 2010
3O2U
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BU of 3o2u by Molmil
S. cerevisiae Ubc12
分子名称: GLYCEROL, NEDD8-conjugating enzyme UBC12
著者Scott, D.C, Monda, J.K, Grace, C.R.R, Duda, D.M, Kriwacki, R.W, Kurz, T, Schulman, B.A.
登録日2010-07-22
公開日2010-09-15
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.003 Å)
主引用文献A dual E3 mechanism for Rub1 ligation to Cdc53.
Mol.Cell, 39, 2010
3O2P
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BU of 3o2p by Molmil
A Dual E3 Mechanism for Rub1 Ligation to Cdc53: Dcn1(P)-Cdc53(WHB)
分子名称: Cell division control protein 53, Defective in cullin neddylation protein 1, GLYCEROL
著者Scott, D.C, Monda, J.K, Grace, C.R.R, Duda, D.M, Kriwacki, R.W, Kurz, T, Schulman, B.A.
登録日2010-07-22
公開日2010-09-15
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.233 Å)
主引用文献A dual E3 mechanism for Rub1 ligation to Cdc53.
Mol.Cell, 39, 2010
4CHB
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BU of 4chb by Molmil
Crystal structure of the human KLHL2 Kelch domain in complex with a WNK4 peptide
分子名称: 1,2-ETHANEDIOL, DODECAETHYLENE GLYCOL, KELCH-LIKE PROTEIN 2, ...
著者Sorrell, F.J, Schumacher, F.R, Kurz, T, Alessi, D.R, Newman, J, Cooper, C.D.O, Canning, P, Kopec, J, Williams, E, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.
登録日2013-11-29
公開日2014-01-08
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Structural and Biochemical Characterisation of the Klhl3-Wnk Kinase Interaction Important in Blood Pressure Regulation.
Biochem.J., 460, 2014
4CH9
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BU of 4ch9 by Molmil
Crystal structure of the human KLHL3 Kelch domain in complex with a WNK4 peptide
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, KELCH-LIKE PROTEIN 3, ...
著者Sorrell, F.J, Schumacher, F.R, Kurz, T, Alessi, D.R, Newman, J, Goubin, S, Chalk, R, Kopec, J, Tallant, C, Williams, E, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.
登録日2013-11-29
公開日2014-01-08
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Structural and Biochemical Characterisation of the Klhl3-Wnk Kinase Interaction Important in Blood Pressure Regulation.
Biochem.J., 460, 2014
3BQ3
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BU of 3bq3 by Molmil
Crystal structure of S. cerevisiae Dcn1
分子名称: Defective in cullin neddylation protein 1, GLYCEROL
著者Chou, Y.C, Sicheri, F.
登録日2007-12-19
公開日2008-01-29
最終更新日2017-10-25
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Dcn1 Functions as a Scaffold-Type E3 Ligase for Cullin Neddylation.
Mol.Cell, 29, 2008
6CW8
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BU of 6cw8 by Molmil
Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with RTS-V5
分子名称: 1,2-ETHANEDIOL, Hdac6 protein, N-(2,2-dimethylpropyl)-N~2~-[4-(hydroxycarbamoyl)benzene-1-carbonyl]-L-asparaginyl-N-benzyl-L-alaninamide, ...
著者Osko, J.D, Christianson, D.W.
登録日2018-03-30
公開日2018-11-21
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery of the First-in-Class Dual Histone Deacetylase-Proteasome Inhibitor.
J. Med. Chem., 61, 2018
6DVM
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BU of 6dvm by Molmil
Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 in complex with DDK-122
分子名称: 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-(dimethylamino)-N-{[4-(hydroxycarbamoyl)phenyl]methyl}-N-{2-[(4-methylphenyl)amino]-2-oxoethyl}benzamide, ...
著者Porter, N.J, Christianson, D.W.
登録日2018-06-24
公開日2018-08-29
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Histone Deacetylase 6-Selective Inhibitors and the Influence of Capping Groups on Hydroxamate-Zinc Denticity.
J. Med. Chem., 61, 2018
6DVO
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BU of 6dvo by Molmil
Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 in complex with Bavarostat
分子名称: 1,2-ETHANEDIOL, 3-fluoro-N-hydroxy-4-[(methyl{[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]decan-1-yl]methyl}amino)methyl]benzamide, Hdac6 protein, ...
著者Porter, N.J, Christianson, D.W.
登録日2018-06-24
公開日2018-08-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Histone Deacetylase 6-Selective Inhibitors and the Influence of Capping Groups on Hydroxamate-Zinc Denticity.
J. Med. Chem., 61, 2018
6DVL
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BU of 6dvl by Molmil
Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 in complex with DDK-115
分子名称: Hdac6 protein, N-[2-(cyclohexylamino)-2-oxoethyl]-N-{[4-(hydroxycarbamoyl)phenyl]methyl}-3,5-dimethylbenzamide, POTASSIUM ION, ...
著者Porter, N.J, Christianson, D.W.
登録日2018-06-24
公開日2018-08-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Histone Deacetylase 6-Selective Inhibitors and the Influence of Capping Groups on Hydroxamate-Zinc Denticity.
J. Med. Chem., 61, 2018
6DVN
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BU of 6dvn by Molmil
Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 in complex with DDK-137
分子名称: 1,2-ETHANEDIOL, Hdac6 protein, N-[2-(benzylamino)-2-oxoethyl]-4-(dimethylamino)-N-{[4-(hydroxycarbamoyl)phenyl]methyl}benzamide, ...
著者Osko, J.D, Christianson, D.W.
登録日2018-06-24
公開日2018-08-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Histone Deacetylase 6-Selective Inhibitors and the Influence of Capping Groups on Hydroxamate-Zinc Denticity.
J. Med. Chem., 61, 2018
8JNW
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BU of 8jnw by Molmil
PfDXR - Mn2+ - NADPH - MAMK89 quaternary complex
分子名称: 1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplastic, CALCIUM ION, ...
著者Takada, S, Sakamoto, Y, Tanaka, N.
登録日2023-06-08
公開日2024-05-22
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献Reverse N -Substituted Hydroxamic Acid Derivatives of Fosmidomycin Target a Previously Unknown Subpocket of 1-Deoxy-d-xylulose 5-Phosphate Reductoisomerase (DXR).
Acs Infect Dis., 10, 2024
8JNV
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BU of 8jnv by Molmil
PfDXR - Mn2+ - MAMK89 ternary complex
分子名称: 1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplastic, CALCIUM ION, ...
著者Takada, S, Sakamoto, Y, Tanaka, N.
登録日2023-06-06
公開日2024-05-22
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Reverse N -Substituted Hydroxamic Acid Derivatives of Fosmidomycin Target a Previously Unknown Subpocket of 1-Deoxy-d-xylulose 5-Phosphate Reductoisomerase (DXR).
Acs Infect Dis., 10, 2024
4KP7
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BU of 4kp7 by Molmil
Structure of Plasmodium IspC in complex with a beta-thia-isostere derivative of Fosmidomycin
分子名称: 1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplast, MANGANESE (III) ION, ...
著者Kunfermann, A, Bacher, A, Groll, M.
登録日2013-05-13
公開日2013-10-02
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献IspC as Target for Antiinfective Drug Discovery: Synthesis, Enantiomeric Separation, and Structural Biology of Fosmidomycin Thia Isosters.
J.Med.Chem., 56, 2013
6H39
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BU of 6h39 by Molmil
Yeast 20S proteasome in complex with the peptidic non-covalent binding inhibitor RTS-V5
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, MAGNESIUM ION, ...
著者Groll, M, Hansen, F.K.
登録日2018-07-17
公開日2018-11-07
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Discovery of the First-in-Class Dual Histone Deacetylase-Proteasome Inhibitor.
J. Med. Chem., 61, 2018
3WQR
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BU of 3wqr by Molmil
Crystal structure of pfdxr complexed with inhibitor-12
分子名称: 1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplast, CALCIUM ION, ...
著者Tanaka, N, Umeda, T.
登録日2014-01-31
公開日2014-11-26
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Binding Modes of Reverse Fosmidomycin Analogs toward the Antimalarial Target IspC.
J.Med.Chem., 57, 2014
3WQQ
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BU of 3wqq by Molmil
Crystal structure of PfDXR complexed with inhibitor-3
分子名称: 1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplast, CALCIUM ION, ...
著者Tanaka, N, Umeda, T.
登録日2014-01-31
公開日2014-11-26
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Binding Modes of Reverse Fosmidomycin Analogs toward the Antimalarial Target IspC.
J.Med.Chem., 57, 2014
3WQS
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Crystal structure of pfdxr complexed with inhibitor-126
分子名称: 1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplast, MAGNESIUM ION, ...
著者Tanaka, N, Umeda, T.
登録日2014-01-31
公開日2014-11-26
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Binding Modes of Reverse Fosmidomycin Analogs toward the Antimalarial Target IspC.
J.Med.Chem., 57, 2014
3UPL
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Crystal structure of the Brucella abortus enzyme catalyzing the first committed step of the methylerythritol 4-phosphate pathway.
分子名称: GLYCEROL, MAGNESIUM ION, Oxidoreductase
著者Calisto, B.M, Perez-Gil, J, Fita, I, Rodriguez-Concepcion, M.
登録日2011-11-18
公開日2012-03-28
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal structure of Brucella abortus deoxyxylulose-5-phosphate reductoisomerase-like (DRL) enzyme involved in isoprenoid biosynthesis.
J.Biol.Chem., 287, 2012
3UPY
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BU of 3upy by Molmil
Crystal structure of the Brucella abortus enzyme catalyzing the first committed step of the methylerythritol 4-phosphate pathway.
分子名称: 3-[FORMYL(HYDROXY)AMINO]PROPYLPHOSPHONIC ACID, MAGNESIUM ION, Oxidoreductase
著者Calisto, B.M, Perez-Gil, J, Fita, I, Rodriguez-Concepcion, M.
登録日2011-11-18
公開日2012-03-28
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of Brucella abortus deoxyxylulose-5-phosphate reductoisomerase-like (DRL) enzyme involved in isoprenoid biosynthesis.
J.Biol.Chem., 287, 2012

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