Author results

1HTE
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X-RAY CRYSTALLOGRAPHIC STUDIES OF A SERIES OF PENICILLIN-DERIVED ASYMMETRIC INHIBITORS OF HIV-1 PROTEASE
分子名称:HIV-1 PROTEASE, (2R,4S)-2-[(R)-BENZYLCARBAMOYL-PHENYLACETYL-METHYL]-5,5-DIMETHYL-THIAZOLIDINE-4-CARBOXYLIC ACID
著者Jhoti, H., Wonacott, A., Murray-Rust, P.
登録日1994-04-29
公開日1994-07-31
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献X-ray crystallographic studies of a series of penicillin-derived asymmetric inhibitors of HIV-1 protease.
Biochemistry, 33, 1994
1HTF
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X-RAY CRYSTALLOGRAPHIC STUDIES OF A SERIES OF PENICILLIN-DERIVED ASYMMETRIC INHIBITORS OF HIV-1 PROTEASE
分子名称:HIV-1 PROTEASE, 2-(BENZYLCARBAMOYL-PHENYLACETYLAMINO-METHYL)-5,5-DIMETHYL-THIAZOLIDINE-4-CARBOXYLIC ACID (HYDROXYMETHYL-2-PHENYLETHYL)AMIDE
著者Jhoti, H., Wonacott, A., Murray-Rust, P.
登録日1994-04-29
公開日1994-07-31
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献X-ray crystallographic studies of a series of penicillin-derived asymmetric inhibitors of HIV-1 protease.
Biochemistry, 33, 1994
1HTG
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X-RAY CRYSTALLOGRAPHIC STUDIES OF A SERIES OF PENICILLIN-DERIVED ASYMMETRIC INHIBITORS OF HIV-1 PROTEASE
分子名称:HIV-1 PROTEASE, 2-(BENZYLCARBAMOYL-PHENYLACETYLAMINO-METHYL)-5,5-DIMETHYL-THIAZOLIDINE-4-CARBOXYLIC ACID 3-[(1H-BENZIMIDAZOL-2-YLMETHYLCARBAMOYL)-1-BENZYL-2-HYDROXYPROPYL]-AMIDE
著者Jhoti, H., Wonacott, A., Murray-Rust, P.
登録日1994-04-29
公開日1994-07-31
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献X-ray crystallographic studies of a series of penicillin-derived asymmetric inhibitors of HIV-1 protease.
Biochemistry, 33, 1994
1BRU
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STRUCTURE OF PORCINE PANCREATIC ELASTASE COMPLEXED WITH THE ELASTASE INHIBITOR GR143783
分子名称:ELASTASE, 2-(2-HYDROXY-CYCLOPENTYL)-PENT-4-ENAL
著者Jhoti, H., Singh, O.M.P., Wonacott, A.
登録日1998-08-24
公開日1999-08-25
最終更新日2018-04-18
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献
To be Published
1QHR
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NOVEL COVALENT ACTIVE SITE THROMBIN INHIBITORS
分子名称:ALPHA THROMBIN, HIRUGEN, 6-(2-HYDROXY-CYCLOPENTYL)-7-OXO-HEPTANAMIDINE
著者Jhoti, H., Cleasby, A., Reid, S., Thomas, P., Wonacott, A.
登録日1999-05-26
公開日2000-05-31
最終更新日2018-04-04
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structures of thrombin complexed to a novel series of synthetic inhibitors containing a 5,5-trans-lactone template.
Biochemistry, 38, 1999
1QJ1
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NOVEL COVALENT ACTIVE SITE THROMBIN INHIBITORS
分子名称:THROMBIN, HIRUGEN, 6-CARBAMIMIDOYL-2-[2-HYDROXY-6-(4-HYDROXY-PHENYL)-INDAN-1-YL]-HEXANOIC ACID
著者Jhoti, H., Cleasby, A.
登録日1999-06-21
公開日2000-06-22
最終更新日2018-05-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structures of Thrombin Complexed to a Novel Series of Synthetic Inhibitors Containing a 5,5-Trans-Lactone Template
Biochemistry, 38, 1999
1QJ6
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NOVEL COVALENT ACTIVE SITE THROMBIN INHIBITORS
分子名称:THROMBIN, HIRUGEN, 6-CARBAMIMIDOYL-2-[2-HYDROXY-5-(3-METHOXY-PHENYL)-INDAN-1-YL]-HEXANOIC ACID
著者Jhoti, H., Cleasby, A.
登録日1999-06-22
公開日2000-06-22
最終更新日2018-05-30
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal Structures of Thrombin Complexed to a Novel Series of Synthetic Inhibitors Containing a 5,5-Trans-Lactone Template
Biochemistry, 38, 1999
1QJ7
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NOVEL COVALENT ACTIVE SITE THROMBIN INHIBITORS
分子名称:THROMBIN, HIRUGEN, 6-CARBAMIMIDOYL-2-[5-(3-DIETHYLCARBAMOYL-PHENYL)-2-HYDROXY-INDAN-1-YL]-HEXANOIC ACID
著者Jhoti, H., Cleasby, A.
登録日1999-06-22
公開日2000-06-22
最終更新日2018-05-30
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal Structures of Thrombin Complexed to a Novel Series of Synthetic Inhibitors Containing a 5,5-Trans-Lactone Template
Biochemistry, 38, 1999
5FPS
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STRUCTURE OF HEPATITIS C VIRUS (HCV) FULL-LENGTH NS3 COMPLEX WITH SMALL-MOLECULE LIGAND 3-AMINOBENZENE-1,2-DICARBOXYLIC ACID (AT1246) IN AN ALTERNATE BINDING SITE.
分子名称:HEPATITIS C VIRUS FULL-LENGTH NS3 COMPLEX, 3-AMINOBENZENE-1,2-DICARBOXYLIC ACID
著者Jhoti, h., Ludlow, R.F., Saini, H.K., Tickle, I.J., Verdonk, M., Williams, P.A.
登録日2015-12-02
公開日2015-12-23
最終更新日2016-01-13
実験手法X-RAY DIFFRACTION (2.68 Å)
主引用文献Detection of Secondary Binding Sites in Proteins Using Fragment Screening.
Proc.Natl.Acad.Sci.USA, 112, 2015
5FPT
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STRUCTURE OF HEPATITIS C VIRUS (HCV) FULL-LENGTH NS3 COMPLEX WITH SMALL-MOLECULE LIGAND 2-(1-METHYL-1H-INDOL-3-YL)ACETIC ACID (AT3437) IN AN ALTERNATE BINDING SITE.
分子名称:HEPATITIS C VIRUS FULL-LENGTH NS3 COMPLEX, (1-methyl-1H-indol-3-yl)acetic acid
著者Jhoti, H., Ludlow, R.F., Saini, H.K., Tickle, I.J., Verdonk, M., Pathuri, P., Williams, P.A.
登録日2015-12-02
公開日2015-12-23
最終更新日2016-01-13
実験手法X-RAY DIFFRACTION (2.72 Å)
主引用文献Detection of Secondary Binding Sites in Proteins Using Fragment Screening.
Proc.Natl.Acad.Sci.USA, 112, 2015
1AWF
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NOVEL COVALENT THROMBIN INHIBITOR FROM PLANT EXTRACT
分子名称:ALPHA THROMBIN, HIRUGEN, R3-ACETOXY-17-(1-FORMYL-5-METHYL-3-OXO-HEX-4-ENYL)-12,16-DIHYDROXY-14-HYDROXYMETHYL-4,10,13-TRIMETHYL-2,3,4,5,6,9,10,11,12,13,14,15,16,17-TETRADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHRENE-4-CARBOXYLIC ACID IDOPYRANOSYL ESTER
著者Jhoti, H., Cleasby, A., Wonacott, A.
登録日1997-10-02
公開日1998-10-28
最終更新日2018-04-18
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Novel natural product 5,5-trans-lactone inhibitors of human alpha-thrombin: mechanism of action and structural studies.
Biochemistry, 37, 1998
1AWH
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NOVEL COVALENT THROMBIN INHIBITOR FROM PLANT EXTRACT
分子名称:ALPHA THROMBIN, 3-ACETOXY-17-(1-FORMYL-5-METHYL-3-OXO-HEX-4-ENYL)-16-HYDROXY-4,10,13,14-TETRAMETHYL-2,3,4,5,6,9,10,11,12,13,14,15,16,17-TETRADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHRENE-4-CARBOXYLIC ACID
著者Jhoti, H., Cleasby, A., Wonacott, A.
登録日1997-10-02
公開日1998-10-28
最終更新日2018-04-18
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Novel natural product 5,5-trans-lactone inhibitors of human alpha-thrombin: mechanism of action and structural studies.
Biochemistry, 37, 1998
5FPO
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STRUCTURE OF BACTERIAL DNA LIGASE WITH SMALL-MOLECULE LIGAND 1H- INDAZOL-7-AMINE (AT4213) IN AN ALTERNATE BINDING SITE.
分子名称:DNA LIGASE, 1H-indazol-7-amine
著者Jhoti, H., Ludlow, R.F., Pathuri, P., Saini, H.K., Tickle, I.J., Tisi, D., Verdonk, M., Williams, P.A.
登録日2015-12-02
公開日2015-12-23
最終更新日2016-01-13
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Detection of Secondary Binding Sites in Proteins Using Fragment Screening.
Proc.Natl.Acad.Sci.USA, 112, 2015
5FPR
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STRUCTURE OF BACTERIAL DNA LIGASE WITH SMALL-MOLECULE LIGAND PYRIMIDIN-2-AMINE (AT371) IN AN ALTERNATE BINDING SITE.
分子名称:DNA LIGASE, SULFATE ION, PYRIMIDIN-2-AMINE
著者Jhoti, H., Ludlow, R.F., Pathuri, P., Saini, H.K., Tickle, I.J., Tisi, D., Verdonk, M., Williams, P.A.
登録日2015-12-02
公開日2015-12-16
最終更新日2016-01-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Detection of Secondary Binding Sites in Proteins Using Fragment Screening.
Proc.Natl.Acad.Sci.USA, 112, 2015
1W7H
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P38 KINASE CRYSTAL STRUCTURE IN COMPLEX WITH SMALL MOLECULE INHIBITOR
分子名称:MITOGEN-ACTIVATED PROTEIN KINASE 14, 3-(BENZYLOXY)PYRIDIN-2-AMINE
著者Jhoti, H., Gill, A., Cleasby, A., Devine, L.
登録日2004-09-02
公開日2005-02-08
最終更新日2017-07-05
実験手法X-RAY DIFFRACTION (2.214 Å)
主引用文献Fragment-Based Lead Discovery Using X-Ray Crystallography
J.Med.Chem., 48, 2005
5FP5
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STRUCTURE OF CYCLIN-DEPENDENT KINASE 2 WITH SMALL-MOLECULE LIGAND 4- FLUOROBENZOIC ACID (AT222) IN AN ALTERNATE BINDING SITE.
分子名称:CYCLIN-DEPENDENT KINASE 2, 4-fluorobenzoic acid, ACETYL GROUP
著者Jhoti, H., Ludlow, R.F., O'Reilly, M., Saini, H.K., Tickle, I.J., Verdonk, M.
登録日2015-11-27
公開日2015-12-09
最終更新日2016-01-13
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献Detection of Secondary Binding Sites in Proteins Using Fragment Screening.
Proc.Natl.Acad.Sci.USA, 112, 2015
5FP6
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STRUCTURE OF CYCLIN-DEPENDENT KINASE 2 WITH SMALL-MOLECULE LIGAND 3-(4,7-DICHLORO-1H-INDOL-3-YL)PROP-2-YN-1-OL (AT17833) IN AN ALTERNATE BINDING SITE.
分子名称:CYCLIN-DEPENDENT KINASE 2, 3-(4,7-dichloro-1H-indol-3-yl)prop-2-yn-1-ol
著者Jhoti, H., Ludlow, R.F., O'Reilly, M., Saini, H.K., Tickle, I.J., Verdonk, M.
登録日2015-11-27
公開日2015-12-23
最終更新日2016-01-13
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Detection of Secondary Binding Sites in Proteins Using Fragment Screening.
Proc.Natl.Acad.Sci.USA, 112, 2015
5FPD
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STRUCTURE OF HEAT SHOCK-RELATED 70KDA PROTEIN 2 WITH SMALL-MOLECULE LIGAND PYRAZINE-2-CARBOXAMIDE (AT513) IN AN ALTERNATE BINDING SITE.
分子名称:HEAT SHOCK-RELATED 70KDA PROTEIN 2, PYRAZINE-2-CARBOXAMIDE
著者Jhoti, H., Ludlow, R.F., Patel, S., Saini, H.K., Tickle, I.J., Verdonk, M.
登録日2015-11-28
公開日2015-12-16
最終更新日2016-04-06
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Detection of Secondary Binding Sites in Proteins Using Fragment Screening.
Proc.Natl.Acad.Sci.USA, 112, 2015
5FPE
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STRUCTURE OF HEAT SHOCK-RELATED 70KDA PROTEIN 2 WITH SMALL-MOLECULE LIGAND 1H-1,2,4-TRIAZOL-3-AMINE (AT485) IN AN ALTERNATE BINDING SITE.
分子名称:HEAT SHOCK-RELATED 70KDA PROTEIN 2, 3-AMINO-1,2,4-TRIAZOLE
著者Jhoti, H., Ludlow, R.F., Patel, S., Saini, H.K., Tickle, I.J., Verdonk, M.
登録日2015-11-28
公開日2015-12-23
最終更新日2016-01-13
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Detection of Secondary Binding Sites in Proteins Using Fragment Screening.
Proc.Natl.Acad.Sci.USA, 112, 2015
5FPM
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STRUCTURE OF HEAT SHOCK-RELATED 70KDA PROTEIN 2 WITH SMALL-MOLECULE LIGAND 5-PHENYL-1,3,4-OXADIAZOLE-2-THIOL (AT809) IN AN ALTERNATE BINDING SITE.
分子名称:HEAT SHOCK-RELATED 70KDA PROTEIN 2, 5-PHENYL-1,3,4-OXADIAZOLE-2-THIOL
著者Jhoti, H., Ludlow, R.F., Patel, S., Saini, H.K., Tickle, I.J., Verdonk, M.
登録日2015-12-02
公開日2015-12-16
最終更新日2016-01-13
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Detection of Secondary Binding Sites in Proteins Using Fragment Screening.
Proc.Natl.Acad.Sci.USA, 112, 2015
5FPN
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STRUCTURE OF HEAT SHOCK-RELATED 70KDA PROTEIN 2 WITH SMALL-MOLECULE LIGAND 3,5-DIMETHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID (AT9084) IN AN ALTERNATE BINDING SITE.
分子名称:HEAT SHOCK-RELATED 70 KDA PROTEIN 2, 3,5-DIMETHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID
著者Jhoti, H., Ludlow, R.F., Patel, S., Saini, H.K., Tickle, I.J., Verdonk, M.
登録日2015-12-02
公開日2015-12-23
最終更新日2016-01-13
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Detection of Secondary Binding Sites in Proteins Using Fragment Screening.
Proc.Natl.Acad.Sci.USA, 112, 2015
1RRF
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NON-MYRISTOYLATED RAT ADP-RIBOSYLATION FACTOR-1 COMPLEXED WITH GDP, MONOMERIC CRYSTAL FORM
分子名称:RAT ADP-RIBOSYLATION FACTOR-1, MAGNESIUM ION, GUANOSINE-5'-DIPHOSPHATE
著者Greasley, S.E., Jhoti, H., Bax, B.
登録日1995-12-16
公開日1996-06-20
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献The structure of rat ADP-ribosylation factor-1 (ARF-1) complexed to GDP determined from two different crystal forms.
Nat.Struct.Biol., 2, 1995
1RRG
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NON-MYRISTOYLATED RAT ADP-RIBOSYLATION FACTOR-1 COMPLEXED WITH GDP, DIMERIC CRYSTAL FORM
分子名称:RAT ADP-RIBOSYLATION FACTOR-1, MAGNESIUM ION, GUANOSINE-5'-DIPHOSPHATE
著者Greasley, S.E., Jhoti, H., Bax, B.
登録日1995-12-16
公開日1996-06-20
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献The structure of rat ADP-ribosylation factor-1 (ARF-1) complexed to GDP determined from two different crystal forms.
Nat.Struct.Biol., 2, 1995
5FPY
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STRUCTURE OF HEPATITIS C VIRUS (HCV) FULL-LENGTH NS3 COMPLEX WITH SMALL-MOLECULE LIGAND 5-BROMO-1-METHYL-1H-INDOLE-2-CARBOXYLIC ACID (AT21457) IN AN ALTERNATE BINDING SITE.
分子名称:SERINE PROTEASE NS3, 5-bromo-1-methyl-1H-indole-2-carboxylic acid
著者Davies, T.G., Jhoti, H., Ludlow, R.F., Saini, H.K., Tickle, I.J., Verdonk, M.
登録日2015-12-03
公開日2015-12-23
最終更新日2016-01-13
実験手法X-RAY DIFFRACTION (2.52 Å)
主引用文献Detection of Secondary Binding Sites in Proteins Using Fragment Screening.
Proc.Natl.Acad.Sci.USA, 112, 2015
1OES
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OXIDATION STATE OF PROTEIN TYROSINE PHOSPHATASE 1B
分子名称:PROTEIN-TYROSINE PHOSPHATASE, NON-RECEPTOR TYPE 1, MAGNESIUM ION
著者van Montfort, R.L.M., Congreve, M., Tisi, D., Carr, R., Jhoti, H.
登録日2003-03-31
公開日2003-06-12
最終更新日2018-03-28
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Oxidation state of the active-site cysteine in protein tyrosine phosphatase 1B.
Nature, 423, 2003