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3ZPS
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DESIGN AND SYNTHESIS OF P1-P3 MACROCYCLIC TERTIARY ALCOHOL COMPRISING HIV-1 PROTEASE INHIBITORS
Descriptor:PROTEASE, CHLORIDE ION, methyl N-[(2S)-1-[2-[(4-bromophenyl)methyl]-2-[(4R)-5-[[(2S)-3,3-dimethyl-1-oxidanylidene-1-(prop-2-enylamino)butan-2-yl]amino]-4-oxidanyl-5-oxidanylidene-4-(phenylmethyl)pentyl]hydrazinyl]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamate
Authors:Joshi, A., Veron, J.B., Unge, J., Rosenquist, A., Wallberg, H., Samuelsson, B., Hallberg, A., Larhed, M.
Deposit date:2013-03-01
Release date:2013-11-06
Last modified:2018-01-17
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Design and Synthesis of P1-P3 Macrocyclic Tertiary Alcohol Comprising HIV-1 Protease Inhibitors.
J.Med.Chem., 56, 2013
3ZPT
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DESIGN AND SYNTHESIS OF P1-P3 MACROCYCLIC TERTIARY ALCOHOL COMPRISING HIV-1 PROTEASE INHIBITORS
Descriptor:PROTEASE, CHLORIDE ION, methyl N-[(2S)-1-[2-[(4-bromophenyl)methyl]-2-[3-[(3Z,8S,11R)-11-oxidanyl-7,10-bis(oxidanylidene)-8-propan-2-yl-6,9-diazabicyclo[11.2.2]heptadeca-1(16),3,13(17),14-tetraen-11-yl]propyl]hydrazinyl]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamate
Authors:Joshi, A., Veron, J.B., Unge, J., Rosenquist, A., Wallberg, H., Samuelsson, B., Hallberg, A., Larhed, M.
Deposit date:2013-03-01
Release date:2013-11-06
Last modified:2018-01-17
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Design and Synthesis of P1-P3 Macrocyclic Tertiary Alcohol Comprising HIV-1 Protease Inhibitors
J.Med.Chem., 56, 2013
3ZPU
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DESIGN AND SYNTHESIS OF P1-P3 MACROCYCLIC TERTIARY ALCOHOL COMPRISING HIV-1 PROTEASE INHIBITORS
Descriptor:PROTEASE, CHLORIDE ION, methyl N-[(2S)-1-[2-[(4-bromophenyl)methyl]-2-[3-[(3Z,8S,11R)-8-tert-butyl-11-oxidanyl-7,10-bis(oxidanylidene)-6,9-diazabicyclo[11.2.2]heptadeca-1(15),3,13,16-tetraen-11-yl]propyl]hydrazinyl]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamate
Authors:Joshi, A., Veron, J.B., Unge, J., Rosenquist, A., Wallberg, H., Samuelsson, B., Hallberg, A., Larhed, M.
Deposit date:2013-03-01
Release date:2013-11-06
Last modified:2018-01-17
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Design and Synthesis of P1-P3 Macrocyclic Tertiary Alcohol Comprising HIV-1 Protease Inhibitors
J.Med.Chem., 56, 2013
3ZZY
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CRYSTAL STRUCTURE OF A RAVER1 PRI3 PEPTIDE IN COMPLEX WITH POLYPYRIMIDINE TRACT BINDING PROTEIN RRM2
Descriptor:POLYPYRIMIDINE TRACT-BINDING PROTEIN 1, RIBONUCLEOPROTEIN PTB-BINDING 1
Authors:Joshi, A., Kotik-Kogan, O., Curry, S.
Deposit date:2011-09-06
Release date:2011-12-28
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Crystallographic Analysis of Polypyrimidine Tract-Binding Protein-Raver1 Interactions Involved in Regulation of Alternative Splicing.
Structure, 19, 2011
3ZZZ
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CRYSTAL STRUCTURE OF A RAVER1 PRI4 PEPTIDE IN COMPLEX WITH POLYPYRIMIDINE TRACT BINDING PROTEIN RRM2
Descriptor:POLYPYRIMIDINE TRACT-BINDING PROTEIN 1, RIBONUCLEOPROTEIN PTB-BINDING 1, IODIDE ION
Authors:Joshi, A., Kotik-Kogan, O., Curry, S.
Deposit date:2011-09-06
Release date:2011-12-28
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Crystallographic Analysis of Polypyrimidine Tract-Binding Protein-Raver1 Interactions Involved in Regulation of Alternative Splicing.
Structure, 19, 2011
4CQ1
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CRYSTAL STRUCTURE OF THE NEURONAL ISOFORM OF PTB
Descriptor:POLYPYRIMIDINE TRACT-BINDING PROTEIN 2, ZINC ION, CHLORIDE ION
Authors:Joshi, A., Buckroyd, A.N., Curry, S.
Deposit date:2014-02-10
Release date:2014-02-19
Last modified:2016-01-13
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Solution and Crystal Structures of a C Terminal Fragment of the Neuronal Isoform of the Polypyrimidine Tract Binding Protein (Nptb)
Peerj, 2, 2014
4UHP
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CRYSTAL STRUCTURE OF THE PYOCIN AP41 DNASE-IMMUNITY COMPLEX
Descriptor:LARGE COMPONENT OF PYOCIN AP41, BACTERIOCIN IMMUNITY PROTEIN
Authors:Joshi, A., Chen, S., Wojdyla, J.A., Kaminska, R., Kleanthous, C.
Deposit date:2015-03-25
Release date:2015-08-05
Last modified:2015-09-02
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structures of the Ultra-High Affinity Protein-Protein Complexes of Pyocins S2 and Ap41 and Their Cognate Immunity Proteins from Pseudomonas Aeruginosa
J.Mol.Biol., 427, 2015
4UHQ
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CRYSTAL STRUCTURE OF THE PYOCIN AP41 DNASE
Descriptor:LARGE COMPONENT OF PYOCIN AP41, CITRIC ACID, NICKEL (II) ION
Authors:Joshi, A., Chen, S., Wojdyla, J.A., Kaminska, R., Kleanthous, C.
Deposit date:2015-03-25
Release date:2015-08-05
Last modified:2015-09-02
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structures of the Ultra-High Affinity Protein-Protein Complexes of Pyocins S2 and Ap41 and Their Cognate Immunity Proteins from Pseudomonas Aeruginosa
J.Mol.Biol., 427, 2015
4Z7H
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CRYSTAL STRUCTURE OF HUMAN IRE1 CYTOPLASMIC KINASE-RNASE REGION - COMPLEX WITH IMIDAZOPYRIDINE COMPOUND 3
Descriptor:Serine/threonine-protein kinase/endoribonuclease IRE1, 2-methoxy-4-[6-(propan-2-ylamino)imidazo[1,2-b]pyridazin-3-yl]benzamide, SULFATE ION
Authors:Joshi, A., Bayliss, R.
Deposit date:2015-04-07
Release date:2015-05-27
Last modified:2015-07-01
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Molecular mechanisms of human IRE1 activation through dimerization and ligand binding.
Oncotarget, 6, 2015
4BYI
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AURORA A KINASE BOUND TO A HIGHLY SELECTIVE IMIDAZOPYRIDINE INHIBITOR
Descriptor:AURORA KINASE A, (S)-N-((1-(6-chloro-2-(1,3-dimethyl-1H-pyrazol-4-yl)-3H-imidazo[4,5-b]pyridin-7-yl)pyrrolidin-3-yl)methyl)acetamide
Authors:Joshi, A., Kosmopoulou, M., Bayliss, R.
Deposit date:2013-07-19
Release date:2013-11-20
Last modified:2013-12-11
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Aurora Isoform Selectivity: Design and Synthesis of Imidazo[4,5-B]Pyridine Derivatives as Highly Selective Inhibitors of Aurora-A Kinase in Cells.
J.Med.Chem., 56, 2013
4BYJ
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AURORA A KINASE BOUND TO A HIGHLY SELECTIVE IMIDAZOPYRIDINE INHIBITOR
Descriptor:AURORA KINASE A, (S)-N-(1-(6-chloro-2-(1,3-dimethyl-1H-pyrazol-4-yl)-3H-imidazo[4,5-b]pyridin-7-yl)pyrrolidin-3-yl)acetamide
Authors:Joshi, A., Kosmopoulou, M., Bayliss, R.
Deposit date:2013-07-19
Release date:2013-11-20
Last modified:2013-12-11
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Aurora Isoform Selectivity: Design and Synthesis of Imidazo[4,5-B]Pyridine Derivatives as Highly Selective Inhibitors of Aurora-A Kinase in Cells.
J.Med.Chem., 56, 2013
4Z7G
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CRYSTAL STRUCTURE OF HUMAN IRE1 CYTOPLASMIC KINASE-RNASE REGION - APO
Descriptor:Serine/threonine-protein kinase/endoribonuclease IRE1, SODIUM ION
Authors:Bayliss, R., Joshi, A.
Deposit date:2015-04-07
Release date:2015-05-27
Last modified:2015-07-01
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Molecular mechanisms of human IRE1 activation through dimerization and ligand binding.
Oncotarget, 6, 2015
2CG5
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STRUCTURE OF AMINOADIPATE-SEMIALDEHYDE DEHYDROGENASE- PHOSPHOPANTETHEINYL TRANSFERASE IN COMPLEX WITH CYTOSOLIC ACYL CARRIER PROTEIN AND COENZYME A
Descriptor:L-AMINOADIPATE-SEMIALDEHYDE DEHYDROGENASE-PHOSPHOPANTETHEINYL TRANSFERASE, FATTY ACID SYNTHASE, COENZYME A, ...
Authors:Bunkoczi, G., Joshi, A., Papagrigoriu, E., Arrowsmith, C., Edwards, A., Sundstrom, M., Weigelt, J., von Delft, F., Smith, S., Oppermann, U.
Deposit date:2006-02-27
Release date:2006-03-01
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Mechanism and Substrate Recognition of Human Holo Acp Synthase.
Chem.Biol., 14, 2007
2JMG
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SOLUTION STRUCTURE OF V7R MUTANT OF HIV-1 MYRISTOYLATED MATRIX PROTEIN
Descriptor:Gag polyprotein, MYRISTIC ACID
Authors:Saad, J.S., Loeliger, E., Luncsford, P., Liriano, M., Tai, J., Kim, A., Miller, J., Joshi, A., Freed, E.O., Summers, M.F.
Deposit date:2006-11-11
Release date:2007-02-06
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Point mutations in the HIV-1 matrix protein turn off the myristyl switch.
J.Mol.Biol., 366, 2007
2NV3
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SOLUTION STRUCTURE OF L8A MUTANT OF HIV-1 MYRISTOYLATED MATRIX PROTEIN
Descriptor:Gag polyprotein, MYRISTIC ACID
Authors:Saad, J.S., Loeliger, E., Luncsford, P., Liriano, M., Tai, J., Kim, A., Miller, J., Joshi, A., Freed, E.O., Summers, M.F.
Deposit date:2006-11-10
Release date:2007-02-06
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Point mutations in the HIV-1 matrix protein turn off the myristyl switch.
J.Mol.Biol., 366, 2007
2PO8
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THE STRUCTURE OF A TWO-DISULFIDE INTERMEDIATE OF MCOTI-II
Descriptor:MCoTI-II
Authors:Cemazar, M., Joshi, A., Mark, A.E., Craik, D.J., Daly, N.L.
Deposit date:2007-04-26
Release date:2008-05-06
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:The structure of a two-disulfide intermediate of MCoTI-II
To be Published
5ODW
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STRUCTURE OF THE FPVAI-PYOCIN S2 COMPLEX
Descriptor:Ferripyoverdine receptor, Pyocin-S2, SULFATE ION
Authors:White, P., Joshi, A., Kleanthous, C.
Deposit date:2017-07-06
Release date:2017-11-08
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Exploitation of an iron transporter for bacterial protein antibiotic import.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
2MJU
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SOLUTION STRUCTURE OF A C TERMINAL FRAGMENT OF THE NEURONAL ISOFORM OF THE POLYPYRIMIDINE TRACT BINDING PROTEIN (NPTB)
Descriptor:Polypyrimidine tract-binding protein 2
Authors:Esteve, V., Blatter, M., Allain, F.H.-T.
Deposit date:2014-01-16
Release date:2014-02-12
Last modified:2014-05-07
Method:SOLUTION NMR
Cite:Solution and crystal structures of a C-terminal fragment of the neuronal isoform of the polypyrimidine tract binding protein (nPTB).
PeerJ, 2, 2014
2BYD
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STRUCTURE OF AMINOADIPATE-SEMIALDEHYDE DEHYDROGENASE- PHOSPHOPANTETHEINYL TRANSFERASE
Descriptor:HSPC223, BROMIDE ION
Authors:Bunkoczi, G., Wu, X., Dubinina, E., Johansson, C., Smee, C., Turnbull, A., Oppermann, U., von Delft, F., Arrowsmith, C., Edwards, A., Sundstrom, M., Weigelt, J.
Deposit date:2005-07-29
Release date:2005-08-05
Last modified:2018-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Mechanism and substrate recognition of human holo ACP synthase.
Chem. Biol., 14, 2007
2C43
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STRUCTURE OF AMINOADIPATE-SEMIALDEHYDE DEHYDROGENASE- PHOSPHOPANTETHEINYL TRANSFERASE IN COMPLEX WITH COENZYME A
Descriptor:AMINOADIPATE-SEMIALDEHYDE DEHYDROGENASE-PHOSPHOPANTETHEINYL TRANSFERASE, COENZYME A, MAGNESIUM ION, ...
Authors:Bunkoczi, G., Wu, X., Dubinina, E., Johansson, C., Smee, C., Turnbull, A., von Delft, F., Arrowsmith, C., Edwards, A., Sundstrom, M., Weigelt, J., Oppermann, U.
Deposit date:2005-10-14
Release date:2005-10-24
Last modified:2018-02-28
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Mechanism and substrate recognition of human holo ACP synthase.
Chem. Biol., 14, 2007
5EW5
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CRYSTAL STRUCTURE OF COLICIN E9 IN COMPLEX WITH ITS IMMUNITY PROTEIN IM9
Descriptor:Colicin-E9, Colicin-E9 immunity protein
Authors:Klein, A., Wojdyla, J.A., Kleanthous, C.
Deposit date:2015-11-20
Release date:2016-07-20
Last modified:2016-09-21
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural and biophysical analysis of nuclease protein antibiotics.
Biochem.J., 473, 2016
4AWO
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COMPLEX OF HSP90 ATPASE DOMAIN WITH TROPANE DERIVED INHIBITORS
Descriptor:HEAT SHOCK PROTEIN HSP 90-ALPHA, 5-[(2R)-butan-2-ylamino]-N-{(3-endo)-8-[5-(cyclopropylcarbonyl)pyridin-2-yl]-8-azabicyclo[3.2.1]oct-3-yl}-2-methylbenzene-1,4-dicarboxamide
Authors:Lougheed, J.C., Stout, T.J.
Deposit date:2012-06-05
Release date:2012-08-29
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Discovery of Xl888: A Novel Tropane-Derived Small Molecule Inhibitor of Hsp90.
Bioorg.Med.Chem.Lett., 22, 2012
4AWP
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COMPLEX OF HSP90 ATPASE DOMAIN WITH TROPANE DERIVED INHIBITORS
Descriptor:HEAT SHOCK PROTEIN HSP 90-ALPHA, N-{(3-endo)-8-[5-(benzylcarbamoyl)pyridin-2-yl]-8-azabicyclo[3.2.1]oct-3-yl}-2,5-dimethylbenzene-1,4-dicarboxamide
Authors:Lougheed, J.C., Stout, T.J.
Deposit date:2012-06-05
Release date:2012-08-29
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Discovery of Xl888: A Novel Tropane-Derived Small Molecule Inhibitor of Hsp90.
Bioorg.Med.Chem.Lett., 22, 2012
4AWQ
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COMPLEX OF HSP90 ATPASE DOMAIN WITH TROPANE DERIVED INHIBITORS
Descriptor:HEAT SHOCK PROTEIN HSP 90-ALPHA, N-benzyl-6-[(3-endo)-3-{[(3-methoxy-2-methylphenyl)carbonyl]amino}-8-azabicyclo[3.2.1]oct-8-yl]pyridine-3-carboxamide
Authors:Lougheed, J.C., Stout, T.J.
Deposit date:2012-06-05
Release date:2012-08-29
Last modified:2017-06-28
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Discovery of Xl888: A Novel Tropane-Derived Small Molecule Inhibitor of Hsp90.
Bioorg.Med.Chem.Lett., 22, 2012
2OJQ
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CRYSTAL STRUCTURE OF ALIX V DOMAIN
Descriptor:Programmed cell death 6-interacting protein
Authors:Lee, S., Hurley, J.H.
Deposit date:2007-01-13
Release date:2007-02-20
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (2.87 Å)
Cite:Structural basis for viral late-domain binding to Alix
Nat.Struct.Mol.Biol., 14, 2007
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