Author results

4M5G
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THE IDENTIFICATION, ANALYSIS AND STRUCTURE-BASED DEVELOPMENT OF NOVEL INHIBITORS OF 6-HYDROXYMETHYL-7,8-DIHYDROPTERIN PYROPHOSPHOKINASE
Descriptor:2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, 2-amino-8-[(2-oxo-2-phenylethyl)sulfanyl]-1,9-dihydro-6H-purin-6-one, ...
Authors:Yun, M., Hoagland, D., Kumar, G., Waddell, B., Rock, C.O., Lee, R.E., White, S.W.
Deposit date:2013-08-08
Release date:2014-04-02
Last modified:2014-04-16
Method:X-RAY DIFFRACTION (1.31 Å)
Cite:The identification, analysis and structure-based development of novel inhibitors of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase.
Bioorg.Med.Chem., 22, 2014
4M5H
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THE IDENTIFICATION, ANALYSIS AND STRUCTURE-BASED DEVELOPMENT OF NOVEL INHIBITORS OF 6-HYDROXYMETHYL-7,8-DIHYDROPTERIN PYROPHOSPHOKINASE
Descriptor:2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, 4-{[(2-amino-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]methyl}benzonitrile, ...
Authors:Yun, M., Hoagland, D., Kumar, G., Waddell, B., Rock, C.O., Lee, R.E., White, S.W.
Deposit date:2013-08-08
Release date:2014-04-02
Last modified:2014-04-16
Method:X-RAY DIFFRACTION (1.11 Å)
Cite:The identification, analysis and structure-based development of novel inhibitors of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase.
Bioorg.Med.Chem., 22, 2014
4M5I
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THE IDENTIFICATION, ANALYSIS AND STRUCTURE-BASED DEVELOPMENT OF NOVEL INHIBITORS OF 6-HYDROXYMETHYL-7,8-DIHYDROPTERIN PYROPHOSPHOKINASE
Descriptor:2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, CALCIUM ION, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, ...
Authors:Yun, M., Hoagland, D., Kumar, G., Waddell, B., Rock, C.O., Lee, R.E., White, S.W.
Deposit date:2013-08-08
Release date:2014-04-02
Last modified:2014-04-16
Method:X-RAY DIFFRACTION (1.08 Å)
Cite:The identification, analysis and structure-based development of novel inhibitors of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase.
Bioorg.Med.Chem., 22, 2014
4M5J
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THE IDENTIFICATION, ANALYSIS AND STRUCTURE-BASED DEVELOPMENT OF NOVEL INHIBITORS OF 6-HYDROXYMETHYL-7,8-DIHYDROPTERIN PYROPHOSPHOKINASE
Descriptor:2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, 2-amino-8-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-1,9-dihydro-6H-purin-6-one, ...
Authors:Yun, M., Hoagland, D., Kumar, G., Waddell, B., Rock, C.O., Lee, R.E., White, S.W.
Deposit date:2013-08-08
Release date:2014-04-02
Last modified:2016-12-14
Method:X-RAY DIFFRACTION (1.696 Å)
Cite:The identification, analysis and structure-based development of novel inhibitors of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase.
Bioorg.Med.Chem., 22, 2014
4M5K
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THE IDENTIFICATION, ANALYSIS AND STRUCTURE-BASED DEVELOPMENT OF NOVEL INHIBITORS OF 6-HYDROXYMETHYL-7,8-DIHYDROPTERIN PYROPHOSPHOKINASE
Descriptor:2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, CALCIUM ION, ...
Authors:Yun, M., Hoagland, D., Kumar, G., Waddell, B., Rock, C.O., Lee, R.E., White, S.W.
Deposit date:2013-08-08
Release date:2014-04-02
Last modified:2014-04-16
Method:X-RAY DIFFRACTION (1.296 Å)
Cite:The identification, analysis and structure-based development of novel inhibitors of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase.
Bioorg.Med.Chem., 22, 2014
4M5L
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THE IDENTIFICATION, ANALYSIS AND STRUCTURE-BASED DEVELOPMENT OF NOVEL INHIBITORS OF 6-HYDROXYMETHYL-7,8-DIHYDROPTERIN PYROPHOSPHOKINASE
Descriptor:2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, CALCIUM ION, ...
Authors:Yun, M., Hoagland, D., Kumar, G., Waddell, B., Rock, C.O., Lee, R.E., White, S.W.
Deposit date:2013-08-08
Release date:2014-04-02
Last modified:2014-04-16
Method:X-RAY DIFFRACTION (1.094 Å)
Cite:The identification, analysis and structure-based development of novel inhibitors of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase.
Bioorg.Med.Chem., 22, 2014
4M5M
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THE IDENTIFICATION, ANALYSIS AND STRUCTURE-BASED DEVELOPMENT OF NOVEL INHIBITORS OF 6-HYDROXYMETHYL-7,8-DIHYDROPTERIN PYROPHOSPHOKINASE
Descriptor:2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 2-amino-1,9-dihydro-6H-purine-6-thione, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, ...
Authors:Yun, M., Hoagland, D., Kumar, G., Waddell, B., Rock, C.O., Lee, R.E., White, S.W.
Deposit date:2013-08-08
Release date:2014-04-02
Last modified:2014-04-16
Method:X-RAY DIFFRACTION (1.118 Å)
Cite:The identification, analysis and structure-based development of novel inhibitors of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase.
Bioorg.Med.Chem., 22, 2014
4M5N
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THE IDENTIFICATION, ANALYSIS AND STRUCTURE-BASED DEVELOPMENT OF NOVEL INHIBITORS OF 6-HYDROXYMETHYL-7,8-DIHYDROPTERIN PYROPHOSPHOKINASE
Descriptor:2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, MAGNESIUM ION, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, ...
Authors:Yun, M., Hoagland, D., Kumar, G., Waddell, B., Rock, C.O., Lee, R.E., White, S.W.
Deposit date:2013-08-08
Release date:2014-04-02
Last modified:2014-06-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:The identification, analysis and structure-based development of novel inhibitors of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase.
Bioorg.Med.Chem., 22, 2014
3VKX
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STRUCTURE OF PCNA
Descriptor:Proliferating cell nuclear antigen, 3,5,3'TRIIODOTHYRONINE, SULFATE ION, ...
Authors:Hashimoto, H., Hishiki, A., Shimizu, T., Sato, M., Punchihewa, C., Connelly, M., Actis, M., Waddell, B., Pagala, V., Fujii, N.
Deposit date:2011-11-26
Release date:2012-03-14
Last modified:2013-08-14
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Identification of small molecule proliferating cell nuclear antigen (PCNA) inhibitor that disrupts interactions with PIP-box proteins and inhibits DNA replication
J.Biol.Chem., 287, 2012
5EK9
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CRYSTAL STRUCTURE OF THE SECOND BROMODOMAIN OF HUMAN BRD2 IN COMPLEX WITH A TETRAHYDROQUINOLINE INHIBITOR
Descriptor:Bromodomain-containing protein 2, propan-2-yl ~{N}-[(2~{S},4~{R})-1-ethanoyl-6-(furan-2-yl)-2-methyl-3,4-dihydro-2~{H}-quinolin-4-yl]carbamate
Authors:Tallant, C., Slavish, P.J., Siejka, P., Bharatham, N., Shadrick, W.R., Chai, S., Young, B.M., Boyd, V.A., Heroven, C., Picaud, S., Fedorov, O., Chen, T., Lee, R.E., Guy, R.K., Shelat, A.A., von Delft, F., Arrowsmith, C.H., Edwards, A.M., Bountra, C., Knapp, S., Structural Genomics Consortium (SGC)
Deposit date:2015-11-03
Release date:2016-11-16
Last modified:2018-01-17
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Exploiting a water network to achieve enthalpy-driven, bromodomain-selective BET inhibitors.
Bioorg. Med. Chem., 26, 2018