Author results

2I0A
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CRYSTAL STRUCTURE OF KB-19 COMPLEXED WITH WILD TYPE HIV-1 PROTEASE
分子名称:Protease, PHOSPHATE ION, (5S)-3-(4-ACETYLPHENYL)-N-[(1S,2R)-1-BENZYL-2-HYDROXY-3-{ISOBUTYL[(4-METHOXYPHENYL)SULFONYL]AMINO}PROPYL]-2-OXO-1,3-OXAZOLIDINE-5-CARBOXAMIDE, ...
著者Nalam, M.N.L., Schiffer, C.A., Ali, A., Reddy, K.K., Cao, H., Anjum, S.G., Rana, T.M.
登録日2006-08-10
公開日2006-12-19
最終更新日2017-10-18
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Discovery of HIV-1 Protease Inhibitors with Picomolar Affinities Incorporating N-Aryl-oxazolidinone-5-carboxamides as Novel P2 Ligands.
J.Med.Chem., 49, 2006
2I0D
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CRYSTAL STRUCTURE OF AD-81 COMPLEXED WITH WILD TYPE HIV-1 PROTEASE
分子名称:Protease, PHOSPHATE ION, (5S)-3-(3-ACETYLPHENYL)-N-[(1S,2R)-1-BENZYL-2-HYDROXY-3-{ISOBUTYL[(4-METHOXYPHENYL)SULFONYL]AMINO}PROPYL]-2-OXO-1,3-OXAZOLIDINE-5-CARBOXAMIDE, ...
著者Nalam, M.N.L., Schiffer, C.A., Ali, A., Reddy, K.K., Cao, H., Anjum, S.G., Rana, T.M.
登録日2006-08-10
公開日2006-12-19
最終更新日2017-10-18
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Discovery of HIV-1 Protease Inhibitors with Picomolar Affinities Incorporating N-Aryl-oxazolidinone-5-carboxamides as Novel P2 Ligands.
J.Med.Chem., 49, 2006
5ETX
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CRYSTAL STRUCTURE OF HCV NS3/4A PROTEASE A156T VARIANT IN COMPLEX WITH 5172-LINEAR (MK-5172 LINEAR ANALOGUE)
分子名称:NS3 protease, ZINC ION, ~{tert}-butyl ~{N}-[(2~{S})-1-[(2~{S},4~{R})-2-[[(1~{R},2~{R})-1-(cyclopropylsulfonylcarbamoyl)-2-ethyl-cyclopropyl]carbamoyl]-4-(3-ethyl-7-methoxy-quinoxalin-2-yl)oxy-pyrrolidin-1-yl]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamate, ...
著者Soumana, D., Yilmaz, N.K., Ali, A., Prachanronarong, K.L., Aydin, C., Schiffer, C.A.
登録日2015-11-18
公開日2016-01-13
最終更新日2017-09-27
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structural and Thermodynamic Effects of Macrocyclization in HCV NS3/4A Inhibitor MK-5172.
Acs Chem.Biol., 11, 2016
5EPN
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CRYSTAL STRUCTURE OF HCV NS3/4A PROTEASE IN COMPLEX WITH 5172-MCP1P3 (MK-5172 P1-P3 MACROCYCLIC ANALOGUE)
分子名称:NS3 protease, ZINC ION, SULFATE ION, ...
著者Soumana, D.I., Yilmaz, N.K., Ali, A., Prachanronarong, K.L., Aydin, C., Schiffer, C.A.
登録日2015-11-11
公開日2016-01-13
最終更新日2016-04-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural and Thermodynamic Effects of Macrocyclization in HCV NS3/4A Inhibitor MK-5172.
Acs Chem.Biol., 11, 2016
5EPY
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CRYSTAL STRUCTURE OF HCV NS3/4A PROTEASE A156T VARIANT IN COMPLEX WITH 5172-MCP1P3 (MK-5172 P1-P3 MACROCYCLIC ANALOGUE)
分子名称:NS3 protease, ZINC ION, SULFATE ION, ...
著者Soumana, D.I., Yilmaz, N.K., Ali, A., Prachanronarong, K.L., Aydin, C., Schiffer, C.A.
登録日2015-11-12
公開日2016-01-13
最終更新日2017-09-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural and Thermodynamic Effects of Macrocyclization in HCV NS3/4A Inhibitor MK-5172.
Acs Chem.Biol., 11, 2016
5EQQ
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CRYSTAL STRUCTURE OF HCV NS3/4A WT PROTEASE IN COMPLEX WITH 5172-LINEAR (MK-5172 LINEAR ANALOGUE)
分子名称:NS3 protease, SULFATE ION, ZINC ION, ...
著者Soumana, D., Yilmaz, N.K., Ali, A., Prachanronarong, K.L., Aydin, C., Schiffer, C.A.
登録日2015-11-13
公開日2016-01-13
最終更新日2017-09-27
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structural and Thermodynamic Effects of Macrocyclization in HCV NS3/4A Inhibitor MK-5172.
Acs Chem.Biol., 11, 2016
5EQR
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CRYSTAL STRUCTURE OF A GENOTYPE 1A/3A CHIMERIC HCV NS3/4A PROTEASE IN COMPLEX WITH DANOPREVIR
分子名称:NS3 protease, (2R,6S,12Z,13aS,14aR,16aS)-6-[(tert-butoxycarbonyl)amino]-14a-[(cyclopropylsulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-2-yl 4-fluoro-2H-isoindole-2-carboxylate, ZINC ION, ...
著者Soumana, D., Yilmaz, N.K., Ali, A., Prachanronarong, K.L., Schiffer, C.A.
登録日2015-11-13
公開日2016-11-23
最終更新日2017-09-27
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Molecular and Dynamic Mechanism Underlying Drug Resistance in Genotype 3 Hepatitis C NS3/4A Protease.
J.Am.Chem.Soc., 138, 2016
5ESB
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CRYSTAL STRUCTURE OF A GENOTYPE 1A/3A CHIMERIC HCV NS3/4A PROTEASE IN COMPLEX WITH VANIPREVIR
分子名称:NS3 protease, ZINC ION, SULFATE ION, ...
著者Soumana, D., Yilmaz, N.K., Ali, A., Prachanronarong, K.L., Schiffer, C.A.
登録日2015-11-16
公開日2016-11-30
最終更新日2017-09-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Molecular and Dynamic Mechanism Underlying Drug Resistance in Genotype 3 Hepatitis C NS3/4A Protease.
J.Am.Chem.Soc., 138, 2016
5EQS
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CRYSTAL STRUCTURE OF A GENOTYPE 1A/3A CHIMERIC HCV NS3/4A PROTEASE IN COMPLEX WITH ASUNAPREVIR
分子名称:NS3 protease, N-(tert-butoxycarbonyl)-3-methyl-L-valyl-(4R)-4-[(7-chloro-4-methoxyisoquinolin-1-yl)oxy]-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-L-prolinamide, ZINC ION
著者Soumana, D., Yilmaz, N.K., Ali, A., Prachanronarong, K.L., Schiffer, C.A.
登録日2015-11-13
公開日2016-11-23
最終更新日2017-09-27
実験手法X-RAY DIFFRACTION (1.839 Å)
主引用文献Molecular and Dynamic Mechanism Underlying Drug Resistance in Genotype 3 Hepatitis C NS3/4A Protease.
J.Am.Chem.Soc., 138, 2016
3DXN
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CRYSTAL STRUCTURE OF THE CALCIUM-DEPENDENT KINASE FROM TOXOPLASMA GONDII, 541.M00134, KINASE DOMAIN.
分子名称:Calmodulin-like domain protein kinase isoform 3
著者Wernimont, A.K., Lew, J., Kozieradzki, I., Cossar, D., Wasney, G., Lin, Y.H., Hassani, A., Ali, A., Schapira, M., Bochkarev, A., Arrowsmith, C.H., Bountra, C., Wikstrom, M., Edwards, A.M., Hui, R., Artz, J.D., Amani, M., Structural Genomics Consortium (SGC)
登録日2008-07-24
公開日2008-09-16
最終更新日2017-10-25
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Crystal structure of the calcium-dependent kinase from toxoplasma gondii, 541.m00134, kinase domain.
To be Published
3E95
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CRYSTAL STRUCTURE OF THE PLASMODIUM FALCIPARUM UBIQUITIN CONJUGATING ENZYME COMPLEX, PFUBC13-PFUEV1A
分子名称:Ubiquitin carrier protein, Ubiquitin-conjugating enzyme E2, UNKNOWN ATOM OR ION
著者Wernimont, A.K., Lam, A., Ali, A., Brokx, S., Lin, Y.H., Zhao, Y., Lew, J., Ravichandran, M., Wasney, G., Vedadi, M., Kozieradzki, I., Schapira, M., Bochkarev, A., Wilkstrom, M., BOuntra, C., Arrowsmith, C.H., Edwards, A.M., Hui, R., Qiu, W., Brand, V.B., Structural Genomics Consortium (SGC)
登録日2008-08-21
公開日2008-09-30
最終更新日2017-10-25
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal Structure of the Plasmodium Falciparum ubiquitin conjugating enzyme complex, PfUBC13-PfUev1a
TO BE PUBLISHED
3EB0
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CRYSTAL STRUCTURE OF CGD4_240 FROM CRYPTOSPORIDIUM PARVUM IN COMPLEX WITH INDIRUBIN E804
分子名称:Putative uncharacterized protein, 3-({[(3S)-3,4-dihydroxybutyl]oxy}amino)-1H,2'H-2,3'-biindol-2'-one, GLYCEROL
著者Wernimont, A.K., Fedorov, O., Lam, A., Ali, A., Zhao, Y., Lew, J., Wasney, G., Vedadi, M., Kozieradzki, I., Schapira, M., Bochkarev, A., Wilstrom, M., Bountra, C., Arrowsmith, C.H., Edwards, A.M., Hui, R., Lin, Y.H., Structural Genomics Consortium (SGC)
登録日2008-08-26
公開日2008-09-16
最終更新日2017-10-25
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Crystal Structure of cgd4_240 from cryptosporidium Parvum in complex with indirubin E804
TO BE PUBLISHED
3F9R
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CRYSTAL STRUCTURE OF TRYPANOSOMA BRUCEI PHOSPHOMANNOSEMUTASE, TB.10.700.370
分子名称:Phosphomannomutase, SULFATE ION, MAGNESIUM ION
著者Wernimont, A.K., Lam, A., Ali, A., Lin, Y.H., Guther, L., Shamshad, A., MacKenzie, F., Bandini, G., Kozieradzki, I., Cossar, D., Zhao, Y., Schapira, M., Bochkarev, A., Arrowsmith, C.H., Bountra, C., Weigelt, J., Edwards, A.M., Ferguson, M.A.J., Hui, R., Qiu, W., Structural Genomics Consortium (SGC)
登録日2008-11-14
公開日2009-03-10
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal Structure of Trypanosoma Brucei phosphomannosemutase, TB.10.700.370
To be Published
3FKM
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PLASMODIUM FALCIPARUM BROMODOMAIN-CONTAINING PROTEIN PF10_0328
分子名称:Signaling protein
著者Wernimont, A.K., Amaya, M.F., Lam, A., Ali, A., Zhang, A.Z., Kenzina, L., Lin, Y.H., Mackenzie, F., Kozieradzki, I., Cossar, D., Schapira, M., Bochkarev, A., Arrowsmith, C.H., Bountra, C., Weigelt, J., Edwards, A.M., Hui, R., Qiu, W., Brand, V., Structural Genomics Consortium (SGC)
登録日2008-12-17
公開日2009-01-13
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Plasmodium falciparum bromodomain-containing protein PF10_0328
To be Published
5ULC
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PLASMODIUM FALCIPARUM BROMODOMAIN-CONTAINING PROTEIN PF10_0328
分子名称:Bromodomain protein 1
著者Wernimont, A.K., Amaya, M.F., Lam, A., Ali, A., Zhang, A.Z., Kenzina, L., Lin, Y.H., MacKenzie, F., Kozieradzki, I., Cossar, D., Schapira, M., Bochkarev, A., Arrowsmith, C.H., Bountra, C., Edwards, A.M., Weigelt, J., Hui, R., Walker, J.R., Qiu, W., Brand, V., Structural Genomics Consortium (SGC)
登録日2017-01-24
公開日2017-02-22
最終更新日2018-01-24
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献PLASMODIUM FALCIPARUM BROMODOMAIN-CONTAINING PROTEIN PF10_0328
To be published
3V4J
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FIRST-IN-CLASS SMALL MOLECULE INHIBITORS OF THE SINGLE-STRAND DNA CYTOSINE DEAMINASE APOBEC3G
分子名称:DNA dC->dU-editing enzyme APOBEC-3G, ZINC ION, 4-[methyl(nitroso)amino]benzene-1,2-diol
著者Shandilya, S.M.D., Ali, A., Schiffer, C.A.
登録日2011-12-15
公開日2012-02-01
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献First-In-Class Small Molecule Inhibitors of the Single-Strand DNA Cytosine Deaminase APOBEC3G.
Acs Chem.Biol., 7, 2012
3V4K
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FIRST-IN-CLASS SMALL MOLECULE INHIBITORS OF THE SINGLE-STRAND DNA CYTOSINE DEAMINASE APOBEC3G
分子名称:DNA dC->dU-editing enzyme APOBEC-3G, CHLORIDE ION, MAGNESIUM ION, ...
著者Shandilya, S.M.D., Ali, A., Schiffer, C.A.
登録日2011-12-15
公開日2012-01-25
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献First-In-Class Small Molecule Inhibitors of the Single-Strand DNA Cytosine Deaminase APOBEC3G.
Acs Chem.Biol., 7, 2012
4WF8
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CRYSTAL STRUCTURE OF NS3/4A PROTEASE IN COMPLEX WITH ASUNAPREVIR
分子名称:NS3 protein, ZINC ION, CHLORIDE ION, ...
著者Schiffer, C.A., Soumana, D.I., Ali, A.
登録日2014-09-13
公開日2014-10-08
最終更新日2017-09-06
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural Analysis of Asunaprevir Resistance in HCV NS3/4A Protease.
Acs Chem.Biol., 9, 2014
4WH6
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CRYSTAL STRUCTURE OF HCV NS3/4A PROTEASE VARIANT R155K IN COMPLEX WITH ASUNAPREVIR
分子名称:Genome polyprotein, SULFATE ION, ZINC ION, ...
著者Soumana, D.I., Ali, A., Schiffer, C.A.
登録日2014-09-20
公開日2014-10-08
最終更新日2017-09-06
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Structural Analysis of Asunaprevir Resistance in HCV NS3/4A Protease.
Acs Chem.Biol., 9, 2014
4WH8
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CRYSTAL STRUCTURE OF HCV NS3/4A PROTEASE IN COMPLEX WITH AN ASUNAPREVIR P1-P3 MACROCYCLIC ANALOG.
分子名称:Genome polyprotein, tert-butyl [(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-chloro-4-methoxyisoquinolin-1-yl)oxy]-14a-{[cyclopropyl(dihydroxy)-lambda~4~-sulfanyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate, SULFATE ION, ...
著者Soumana, D.I., Ali, A., Schiffer, C.A.
登録日2014-09-20
公開日2014-10-15
最終更新日2017-09-06
実験手法X-RAY DIFFRACTION (2.703 Å)
主引用文献Structural Analysis of Asunaprevir Resistance in HCV NS3/4A Protease.
Acs Chem.Biol., 9, 2014
3MXD
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CRYSTAL STRUCTURE OF HIV-1 PROTEASE INHIBITOR KC53 IN COMPLEX WITH WILD-TYPE PROTEASE
分子名称:HIV-1 protease, (5S)-N-{(1S,2R)-3-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-1-benzyl-2-hydroxypropyl}-3-(2-hydroxyphenyl)-2-oxo-1,3-oxazolidine-5-carboxamide, PHOSPHATE ION, ...
著者Nalam, M.N.L., Schiffer, C.A.
登録日2010-05-07
公開日2010-11-10
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structure-Based Design, Synthesis, and Structure-Activity Relationship Studies of HIV-1 Protease Inhibitors Incorporating Phenyloxazolidinones.
J.Med.Chem., 53, 2010
3MXE
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CRYSTAL STRUCTURE OF HIV-1 PROTEASE INHIBITOR, KC32 COMPLEXED WITH WILD-TYPE PROTEASE
分子名称:HIV-1 protease, (5S)-N-{(1S,2R)-3-[(1,3-benzothiazol-6-ylsulfonyl)(2-methylpropyl)amino]-1-benzyl-2-hydroxypropyl}-2-oxo-3-[2-(trifluoromethyl)phenyl]-1,3-oxazolidine-5-carboxamide, PHOSPHATE ION, ...
著者Nalam, M.N.L., Schiffer, C.A.
登録日2010-05-07
公開日2010-11-10
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structure-Based Design, Synthesis, and Structure-Activity Relationship Studies of HIV-1 Protease Inhibitors Incorporating Phenyloxazolidinones.
J.Med.Chem., 53, 2010
5NKZ
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CRYSTAL STRUCTURE OF H. POLYMORPHA UBIQUITIN CONJUGATING ENZYME PEX4P IN COMPLEX WITH SOLUBLE DOMAIN OF PEX22P
分子名称:Ubiquitin-conjugating enzyme E2-21 kDa, Peroxin 22
著者Danda, N., Lunev, S., Ali, A., Groves, M.R., Williams, C.
登録日2017-04-03
公開日2018-01-24
最終更新日2018-02-14
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Structural insights into K48-linked ubiquitin chain formation by the Pex4p-Pex22p complex.
Biochem. Biophys. Res. Commun., 496, 2018
3DZO
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CRYSTAL STRUCTURE OF A RHOPTRY KINASE FROM TOXOPLASMA GONDII
分子名称:Rhoptry kinase domain, MAGNESIUM ION
著者Wernimont, A.K., Lam, A., Ali, A., Lin, Y.H., Ni, S., Ravichandran, M., Wasney, G., Vedadi, M., Kozieradzki, I., Schapira, M., Bochkarev, A., Wilkstrom, M., Bountra, C., Arrowsmith, C.H., Edwards, A.M., Sibley, D., Hui, R., Qiu, W., Structural Genomics Consortium (SGC)
登録日2008-07-30
公開日2008-09-16
最終更新日2017-10-25
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Novel structural and regulatory features of rhoptry secretory kinases in Toxoplasma gondii.
Embo J., 28, 2009
3SU0
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CRYSTAL STRUCTURE OF NS3/4A PROTEASE VARIANT R155K IN COMPLEX WITH DANOPREVIR
分子名称:Genome polyprotein, (2R,6S,12Z,13aS,14aR,16aS)-6-[(tert-butoxycarbonyl)amino]-14a-[(cyclopropylsulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-2-yl 4-fluoro-2H-isoindole-2-carboxylate, SULFATE ION, ...
著者Schiffer, C.A., Romano, K.P.
登録日2011-07-11
公開日2012-09-05
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (1.159 Å)
主引用文献The Molecular Basis of Drug Resistance against Hepatitis C Virus NS3/4A Protease Inhibitors.
Plos Pathog., 8, 2012