Author results

4KYU
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CRYSTAL STRUCTURE OF N-TERMINAL G-DOMAIN OF ENGA FROM BACILLUS SUBTILIS
分子名称:GTPase Der, GUANOSINE-5'-DIPHOSPHATE, POTASSIUM ION, ...
著者Singh, V., Prakash, B.
登録日2013-05-29
公開日2014-06-04
最終更新日2017-05-31
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal Structure of N-terminal G-domain of EngA from Bacillus subtilis
TO BE PUBLISHED
5X4B
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CRYSTAL STRUCTURE OF N-TERMINAL G-DOMAIN OF ENGA FROM BACILLUS SUBTILIS
分子名称:GTPase Der, GUANOSINE-5'-DIPHOSPHATE, POTASSIUM ION, ...
著者Singh, V., Prakash, B.
登録日2017-02-11
公開日2017-05-31
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal Structure of N-terminal G-domain of EngA from Bacillus subtilis
To Be Published
1K27
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CRYSTAL STRUCTURE OF 5'-DEOXY-5'-METHYLTHIOADENOSINE PHOSPHORYLASE IN COMPLEX WITH A TRANSITION STATE ANALOGUE
分子名称:5'-Deoxy-5'-Methylthioadenosine Phosphorylase, PHOSPHATE ION, (3S,4R)-2-(4-AMINO-5H-PYRROLO[3,2-D]PYRIMIDIN-7-YL)-5-[(METHYLSULFANYL)METHYL]PYRROLIDINE-3,4-DIOL
著者Shi, W., Singh, V., Tyler, P.C., Furneaux, R.H., Almo, S.C., Schramm, V.L.
登録日2001-09-26
公開日2003-09-30
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Picomolar transition state analogue inhibitors of human 5'-methylthioadenosine phosphorylase and X-ray structure with MT-immucillin-A
Biochemistry, 43, 2004
1ZOS
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STRUCTURE OF 5'-METHYLTHIONADENOSINE/S-ADENOSYLHOMOCYSTEINE NUCLEOSIDASE FROM S. PNEUMONIAE WITH A TRANSITION-STATE INHIBITOR MT-IMMA
分子名称:5'-methylthioadenosine / S-adenosylhomocysteine nucleosidase, (3S,4R)-2-(4-AMINO-5H-PYRROLO[3,2-D]PYRIMIDIN-7-YL)-5-[(METHYLSULFANYL)METHYL]PYRROLIDINE-3,4-DIOL
著者Shi, W., Singh, V., Zhen, R., Tyler, P.C., Furneaux, R.H., Almo, S.C., Schramm, V.L.
登録日2005-05-13
公開日2006-04-25
最終更新日2018-01-24
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure and inhibition of a quorum sensing target from Streptococcus pneumoniae.
Biochemistry, 45, 2006
4G1P
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STRUCTURAL AND MECHANISTIC BASIS OF SUBSTRATE RECOGNITION BY NOVEL DI-PEPTIDASE DUG1P FROM SACCHAROMYCES CEREVISIAE
分子名称:Cys-Gly metallodipeptidase DUG1, ZINC ION, GLYCINE, ...
著者Singh, A.K., Singh, M., Pandya, V.K., Singh, V., Mittal, M., Kumaran, S.
登録日2012-07-11
公開日2013-07-17
最終更新日2014-09-17
実験手法X-RAY DIFFRACTION (2.547 Å)
主引用文献Structural and Mechanistic Basis of Substrate Recognition by Novel Di-peptidase Dug1p From Saccromyces cerevesiae
To be published
4G12
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CRYSTAL STRUCTURE OF PUTATIVE TETR FAMILY TRANSCRIPTIONAL REGULATOR, FAD35R, FROM MYCOBACTERIUM TUBERCULOSIS
分子名称:Probable transcriptional regulatory protein (Probably TETR-FAMILY), GLYCEROL
著者Singh, A.K., Manjasetty, B.A., Singh, V., Mittal, M., Kumaran, S.
登録日2012-07-10
公開日2013-07-10
最終更新日2014-10-15
実験手法X-RAY DIFFRACTION (3.44 Å)
主引用文献Crystal structure of putative TetR family transcriptional regulator, Fad35R, from Mycobacterium tuberculosis
to be published
1Y6Q
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CYRSTAL STRUCTURE OF MTA/ADOHCY NUCLEOSIDASE COMPLEXED WITH MT-DADME-IMMA
分子名称:MTA/SAH nucleosidase, CHLORIDE ION, (3R,4S)-1-[(4-AMINO-5H-PYRROLO[3,2-D]PYRIMIDIN-7-YL)METHYL]-4-[(METHYLSULFANYL)METHYL]PYRROLIDIN-3-OL
著者Lee, J.E., Singh, V., Evans, G.B., Tyler, P.C., Furneaux, R.H., Cornell, K.A., Riscoe, M.K., Schramm, V.L., Howell, P.L.
登録日2004-12-06
公開日2005-03-01
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural rationale for the affinity of pico- and femtomolar transition state analogues of Escherichia coli 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase.
J.Biol.Chem., 280, 2005
1Y6R
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CRYSTAL STRUCTURE OF MTA/ADOHCY NUCLEOSIDASE COMPLEXED WITH MT-IMMA.
分子名称:MTA/SAH nucleosidase, (3S,4R)-2-(4-AMINO-5H-PYRROLO[3,2-D]PYRIMIDIN-7-YL)-5-[(METHYLSULFANYL)METHYL]PYRROLIDINE-3,4-DIOL
著者Lee, J.E., Singh, V., Evans, G.B., Tyler, P.C., Furneaux, R.H., Cornell, K.A., Riscoe, M.K., Schramm, V.L., Howell, P.L.
登録日2004-12-06
公開日2005-03-01
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural rationale for the affinity of pico- and femtomolar transition state analogues of Escherichia coli 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase.
J.Biol.Chem., 280, 2005
5J5R
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M. THERMORESISTIBLE GUAB2 DELTA-CBS IN COMPLEX WITH INHIBITOR VCC234718
分子名称:Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase, cyclohexyl{4-[(isoquinolin-5-yl)sulfonyl]piperazin-1-yl}methanone, INOSINIC ACID
著者Pacitto, A., Ascher, D.B., Blundell, T.L.
登録日2016-04-03
公開日2016-10-19
最終更新日2019-10-16
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献The Inosine Monophosphate Dehydrogenase, GuaB2, Is a Vulnerable New Bactericidal Drug Target for Tuberculosis.
ACS Infect Dis, 3, 2017
6D4Q
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M. THERMORESISTIBLE GUAB2 DELTA-CBS IN COMPLEX WITH INHIBITOR COMPOUND 14 (VCC900455)
分子名称:Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase, INOSINIC ACID, cycloheptyl{4-[(isoquinolin-5-yl)sulfonyl]piperazin-1-yl}methanone
著者Ascher, D.B., Pacitto, A., Blundell, T.L.
登録日2018-04-18
公開日2019-05-01
最終更新日2019-05-22
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Synthesis and Structure-Activity relationship of 1-(5-isoquinolinesulfonyl)piperazine analogues as inhibitors of Mycobacterium tuberculosis IMPDH.
Eur.J.Med.Chem., 174, 2019
6D4R
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M. THERMORESISTIBLE GUAB2 DELTA-CBS IN COMPLEX WITH INHIBITOR COMPOUND 18 (VCC399134)
分子名称:Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase, INOSINIC ACID, hydroxy(3-{4-[(isoquinolin-5-yl)sulfonyl]piperazine-1-carbonyl}phenyl)oxoammonium
著者Ascher, D.B., Pacitto, A., Blundell, T.L.
登録日2018-04-18
公開日2019-05-01
最終更新日2019-05-22
実験手法X-RAY DIFFRACTION (1.34 Å)
主引用文献Synthesis and Structure-Activity relationship of 1-(5-isoquinolinesulfonyl)piperazine analogues as inhibitors of Mycobacterium tuberculosis IMPDH.
Eur.J.Med.Chem., 174, 2019
6D4S
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M. THERMORESISTIBLE GUAB2 DELTA-CBS IN COMPLEX WITH INHIBITOR COMPOUND 37 (VCC670597)
分子名称:Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase, INOSINIC ACID, N-(2,3-dichlorophenyl)-4-[(isoquinolin-5-yl)sulfonyl]piperazine-1-carboxamide
著者Ascher, D.B., Pacitto, A., Blundell, T.L.
登録日2018-04-18
公開日2019-05-01
最終更新日2019-05-22
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Synthesis and Structure-Activity relationship of 1-(5-isoquinolinesulfonyl)piperazine analogues as inhibitors of Mycobacterium tuberculosis IMPDH.
Eur.J.Med.Chem., 174, 2019
6D4T
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M. THERMORESISTIBLE GUAB2 DELTA-CBS IN COMPLEX WITH INHIBITOR COMPOUND 45 (VCC117054)
分子名称:Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase, INOSINIC ACID, (2S)-N-(2H-1,3-benzodioxol-5-yl)-4-[(isoquinolin-5-yl)sulfonyl]-2-methylpiperazine-1-carboxamide
著者Ascher, D.B., Pacitto, A., Blundell, T.L.
登録日2018-04-18
公開日2019-05-01
最終更新日2019-05-22
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Synthesis and Structure-Activity relationship of 1-(5-isoquinolinesulfonyl)piperazine analogues as inhibitors of Mycobacterium tuberculosis IMPDH.
Eur.J.Med.Chem., 174, 2019
6D4U
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M. THERMORESISTIBLE GUAB2 DELTA-CBS IN COMPLEX WITH INHIBITOR COMPOUND 27 (VCC663664)
分子名称:Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase, INOSINIC ACID, 2-(2,4-dimethoxyphenyl)-1-{4-[(isoquinolin-5-yl)sulfonyl]piperazin-1-yl}ethan-1-one
著者Ascher, D.B., Pacitto, A., Blundell, T.L.
登録日2018-04-18
公開日2019-05-01
最終更新日2019-05-22
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Synthesis and Structure-Activity relationship of 1-(5-isoquinolinesulfonyl)piperazine analogues as inhibitors of Mycobacterium tuberculosis IMPDH.
Eur.J.Med.Chem., 174, 2019
6D4V
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M. THERMORESISTIBLE GUAB2 DELTA-CBS IN COMPLEX WITH INHIBITOR COMPOUND 22 (VCC061422)
分子名称:Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase, INOSINIC ACID, 2-cyclohexyl-1-{4-[(isoquinolin-5-yl)sulfonyl]piperazin-1-yl}ethan-1-one
著者Ascher, D.B., Pacitto, A., Blundell, T.L.
登録日2018-04-18
公開日2019-05-01
最終更新日2019-05-22
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Synthesis and Structure-Activity relationship of 1-(5-isoquinolinesulfonyl)piperazine analogues as inhibitors of Mycobacterium tuberculosis IMPDH.
Eur.J.Med.Chem., 174, 2019
6D4W
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M. THERMORESISTIBLE GUAB2 DELTA-CBS IN COMPLEX WITH INHIBITOR COMPOUND 35 (VCC620637)
分子名称:Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase, INOSINIC ACID, 2-(4-fluorophenyl)-1-{4-[(isoquinolin-5-yl)sulfonyl]piperazin-1-yl}ethan-1-one
著者Ascher, D.B., Pacitto, A., Blundell, T.L.
登録日2018-04-18
公開日2019-05-01
最終更新日2019-05-22
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Synthesis and Structure-Activity relationship of 1-(5-isoquinolinesulfonyl)piperazine analogues as inhibitors of Mycobacterium tuberculosis IMPDH.
Eur.J.Med.Chem., 174, 2019
5OU1
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M. THERMORESISTIBLE IMPDH IN COMPLEX WITH IMP AND COMPOUND 1 (7759844)
分子名称:Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase, INOSINIC ACID, (2~{S})-~{N}-(4-iodophenyl)-2-(4-methoxyphenoxy)propanamide
著者Ascher, D.B., Pacitto, A., Blundell, T.L.
登録日2017-08-23
公開日2018-03-28
最終更新日2019-10-16
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Fragment-Based Approach to Targeting Inosine-5'-monophosphate Dehydrogenase (IMPDH) from Mycobacterium tuberculosis.
J. Med. Chem., 61, 2018
5OU2
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M. THERMORESISTIBLE IMPDH IN COMPLEX WITH IMP AND COMPOUND 2 (NMR744)
分子名称:Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase, INOSINIC ACID, 4-(4-bromophenyl)-1H-imidazole
著者Ascher, D.B., Pacitto, A., Blundell, T.L.
登録日2017-08-23
公開日2018-03-28
最終更新日2019-10-16
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Fragment-Based Approach to Targeting Inosine-5'-monophosphate Dehydrogenase (IMPDH) from Mycobacterium tuberculosis.
J. Med. Chem., 61, 2018
5OU3
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M. THERMORESISTIBLE IMPDH IN COMPLEX WITH IMP AND COMPOUND 31 (AT080)
分子名称:Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase, INOSINIC ACID, (2~{S})-~{N}-[5-(4-bromophenyl)-1~{H}-imidazol-2-yl]-2-[4-(1-methylimidazol-4-yl)phenoxy]propanamide
著者Ascher, D.B., Pacitto, A., Blundell, T.L.
登録日2017-08-23
公開日2018-03-28
最終更新日2019-10-16
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Fragment-Based Approach to Targeting Inosine-5'-monophosphate Dehydrogenase (IMPDH) from Mycobacterium tuberculosis.
J. Med. Chem., 61, 2018
2XB0
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DNA-BINDING DOMAIN FROM SACCHAROMYCES CEREVISIAE CHROMATIN- REMODELLING PROTEIN CHD1
分子名称:CHROMO DOMAIN-CONTAINING PROTEIN 1, GLYCEROL, CHLORIDE ION
著者Ryan, D.P., Sundaramoorthy, R., Owen-Hughes, T.
登録日2010-04-01
公開日2011-05-11
最終更新日2013-03-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The DNA-Binding Domain of the Chd1 Chromatin- Remodelling Enzyme Contains Sant and Slide Domains.
Embo J., 30, 2011
4YAQ
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CRYSTAL STRUCTURE OF A COMPUTATIONALLY OPTIMIZED PG9 MUTANT
分子名称:PG9_N100FY Fab heavy chain, PG9_N100FY Light Chain, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ...
著者Murrell, S., Julien, J.P., Wilson, I.A.
登録日2015-02-17
公開日2015-06-03
最終更新日2017-08-23
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Redesigned HIV antibodies exhibit enhanced neutralizing potency and breadth.
J.Clin.Invest., 125, 2015
5BOL
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DNA POLYMERASE BETA TERNARY COMPLEX WITH A TEMPLATING 5CLC AND INCOMING DGTP ANALOG
分子名称:DNA (5'-D(*CP*CP*GP*AP*CP*(CDO)P*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*C)-3'), DNA (5'-D(P*GP*TP*CP*GP*G)-3'), ...
著者Freudenthal, B.D., Wilson, S.H.
登録日2015-05-27
公開日2015-08-19
最終更新日2017-09-06
実験手法X-RAY DIFFRACTION (1.981 Å)
主引用文献Intrinsic mutagenic properties of 5-chlorocytosine: A mechanistic connection between chronic inflammation and cancer.
Proc.Natl.Acad.Sci.USA, 112, 2015
5BOM
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DNA POLYMERASE BETA BINARY COMPLEX WITH A TEMPLATING 5CLC
分子名称:DNA polymerase beta, DNA (5'-D(P*GP*TP*CP*GP*G)-3'), DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*C)-3'), ...
著者Freudenthal, B.D., Wilson, S.H.
登録日2015-05-27
公開日2015-08-19
最終更新日2017-09-06
実験手法X-RAY DIFFRACTION (2.0002 Å)
主引用文献Intrinsic mutagenic properties of 5-chlorocytosine: A mechanistic connection between chronic inflammation and cancer.
Proc.Natl.Acad.Sci.USA, 112, 2015
5BPC
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DNA POLYMERASE BETA TERNARY COMPLEX WITH A TEMPLATING 5CLC AND INCOMING DATP ANALOG
分子名称:DNA polymerase beta, DNA (5'-D(P*GP*TP*CP*GP*G)-3'), DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*C)-3'), ...
著者Freudenthal, B.D., Wilson, S.H.
登録日2015-05-28
公開日2015-08-19
最終更新日2017-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Intrinsic mutagenic properties of 5-chlorocytosine: A mechanistic connection between chronic inflammation and cancer.
Proc.Natl.Acad.Sci.USA, 112, 2015
4WKC
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CRYSTAL STRUCTURE OF ESCHERICHIA COLI 5'-METHYLTHIOADENOSINE/S-ADENOSYL HOMOCYSTEINE NUCLEOSIDASE (MTAN) COMPLEXED WITH BUTYLTHIO-DADME-IMMUCILLIN-A
分子名称:5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase, (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[(butylsulfanyl)methyl]pyrrolidin-3-ol, TETRAETHYLENE GLYCOL
著者Cameron, S.A., Thomas, K., Almo, S.C., Schramm, V.L.
登録日2014-10-02
公開日2015-08-19
最終更新日2017-09-20
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Active site and remote contributions to catalysis in methylthioadenosine nucleosidases.
Biochemistry, 54, 2015
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