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1SM3
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CRYSTAL STRUCTURE OF THE TUMOR SPECIFIC ANTIBODY SM3 COMPLEX WITH ITS PEPTIDE EPITOPE
Descriptor:SM3 ANTIBODY, PEPTIDE EPITOPE, CADMIUM ION, ...
Authors:Dokurno, P., Bates, P.A., Band, H.A., Stewart, L.M.D., Lally, J.M., Burchell, J.M., Taylor-Papadimitriou, J., Sternberg, M.J.E., Snary, D., Freemont, P.S.
Deposit date:1997-12-23
Release date:1999-03-23
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal structure at 1.95 A resolution of the breast tumour-specific antibody SM3 complexed with its peptide epitope reveals novel hypervariable loop recognition.
J.Mol.Biol., 284, 1998
5OOP
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STRUCTURE OF CHK1 10-PT. MUTANT COMPLEX WITH AMP-PNP
Descriptor:Serine/threonine-protein kinase Chk1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
Authors:Dokurno, P., Williamson, D.S., Acheson-Dossang, P., Chen, I., Murray, J.B., Shaw, T., Surgenor, A.E.
Deposit date:2017-08-08
Release date:2017-10-25
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Design of Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Crystallographic Surrogate Derived from Checkpoint Kinase 1 (CHK1).
J. Med. Chem., 60, 2017
5OOR
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STRUCTURE OF CHK1 10-PT. MUTANT COMPLEX WITH STAUROSPORINE
Descriptor:Serine/threonine-protein kinase Chk1, STAUROSPORINE, CHLORIDE ION
Authors:Dokurno, P., Williamson, D.S., Acheson-Dossang, P., Chen, I., Murray, J.B., Shaw, T., Surgenor, A.E.
Deposit date:2017-08-08
Release date:2017-10-25
Last modified:2018-03-07
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Design of Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Crystallographic Surrogate Derived from Checkpoint Kinase 1 (CHK1).
J. Med. Chem., 60, 2017
5OOT
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STRUCTURE OF CHK1 10-PT. MUTANT COMPLEX WITH AMINOPYRIMIDO-BENZODIAZEPINONE LRRK2 INHIBITOR
Descriptor:Serine/threonine-protein kinase Chk1, 2-[(2-methoxy-4-{[4-(4-methylpiperazin-1-yl)piperidin-1-yl]carbonyl}phenyl)amino]-5,11-dimethyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one
Authors:Dokurno, P., Williamson, D.S., Acheson-Dossang, P., Chen, I., Murray, J.B., Shaw, T., Surgenor, A.E.
Deposit date:2017-08-08
Release date:2017-10-25
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Design of Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Crystallographic Surrogate Derived from Checkpoint Kinase 1 (CHK1).
J. Med. Chem., 60, 2017
5OP2
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STRUCTURE OF CHK1 10-PT. MUTANT COMPLEX WITH ARYLBENZAMIDE LRRK2 INHIBITOR
Descriptor:Serine/threonine-protein kinase Chk1, 5-(4-methylpiperazin-1-yl)-2-phenylmethoxy-~{N}-pyridin-3-yl-benzamide, CHLORIDE ION
Authors:Dokurno, P., Williamson, D.S., Acheson-Dossang, P., Chen, I., Murray, J.B., Shaw, T., Surgenor, A.E.
Deposit date:2017-08-09
Release date:2017-10-25
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Design of Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Crystallographic Surrogate Derived from Checkpoint Kinase 1 (CHK1).
J. Med. Chem., 60, 2017
5OP4
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STRUCTURE OF CHK1 10-PT. MUTANT COMPLEX WITH AMINOPYRIMIDINE LRRK2 INHIBITOR
Descriptor:Serine/threonine-protein kinase Chk1, [4-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-2-fluoranyl-5-methoxy-phenyl]-morpholin-4-yl-methanone
Authors:Dokurno, P., Williamson, D.S., Acheson-Dossang, P., Chen, I., Murray, J.B., Shaw, T., Surgenor, A.E.
Deposit date:2017-08-09
Release date:2017-10-25
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Design of Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Crystallographic Surrogate Derived from Checkpoint Kinase 1 (CHK1).
J. Med. Chem., 60, 2017
5OP5
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STRUCTURE OF CHK1 10-PT. MUTANT COMPLEX WITH PYRROLOPYRIMIDINE LRRK2 INHIBITOR
Descriptor:Serine/threonine-protein kinase Chk1, 3-[4-(morpholin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile, CHLORIDE ION
Authors:Dokurno, P., Williamson, D.S., Acheson-Dossang, P., Chen, I., Murray, J.B., Shaw, T., Surgenor, A.E.
Deposit date:2017-08-09
Release date:2017-10-25
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Design of Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Crystallographic Surrogate Derived from Checkpoint Kinase 1 (CHK1).
J. Med. Chem., 60, 2017
5OP7
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STRUCTURE OF CHK1 10-PT. MUTANT COMPLEX WITH PYRROLOPYRIMIDINE LRRK2 INHIBITOR
Descriptor:Serine/threonine-protein kinase Chk1, [4-[[5-chloranyl-4-(methylamino)-7~{H}-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-phenyl]-morpholin-4-yl-methanone, CHLORIDE ION, ...
Authors:Dokurno, P., Williamson, D.S., Acheson-Dossang, P., Chen, I., Murray, J.B., Shaw, T., Surgenor, A.E.
Deposit date:2017-08-09
Release date:2017-10-25
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Design of Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Crystallographic Surrogate Derived from Checkpoint Kinase 1 (CHK1).
J. Med. Chem., 60, 2017
5OPB
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STRUCTURE OF CHK1 10-PT. MUTANT COMPLEX WITH INDAZOLE LRRK2 INHIBITOR
Descriptor:Serine/threonine-protein kinase Chk1, (2~{R},6~{S})-2,6-dimethyl-4-[6-[5-(1-methylcyclopropyl)oxy-1~{H}-indazol-3-yl]pyrimidin-4-yl]morpholine, CHLORIDE ION
Authors:Dokurno, P., Williamson, D.S., Acheson-Dossang, P., Chen, I., Murray, J.B., Shaw, T., Surgenor, A.E.
Deposit date:2017-08-09
Release date:2017-10-25
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Design of Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Crystallographic Surrogate Derived from Checkpoint Kinase 1 (CHK1).
J. Med. Chem., 60, 2017
5OPR
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STRUCTURE OF CHK1 10-PT. MUTANT COMPLEX WITH AMINOPYRIDINE LRRK2 INHIBITOR
Descriptor:Serine/threonine-protein kinase Chk1, 5-[4-(morpholin-4-ylmethyl)phenyl]-3-(1-propan-2-yl-1,2,3-triazol-4-yl)pyridin-2-amine
Authors:Dokurno, P., Williamson, D.S., Acheson-Dossang, P., Chen, I., Murray, J.B., Shaw, T., Surgenor, A.E.
Deposit date:2017-08-10
Release date:2017-10-25
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Design of Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Crystallographic Surrogate Derived from Checkpoint Kinase 1 (CHK1).
J. Med. Chem., 60, 2017
5OPS
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STRUCTURE OF CHK1 10-PT. MUTANT COMPLEX WITH PYRROLOPYRIDINE LRRK2 INHIBITOR
Descriptor:Serine/threonine-protein kinase Chk1, 4-(3-hydroxyphenyl)-1~{H}-pyrrolo[2,3-b]pyridine-3-carbonitrile
Authors:Dokurno, P., Williamson, D.S., Acheson-Dossang, P., Chen, I., Murray, J.B., Shaw, T., Surgenor, A.E.
Deposit date:2017-08-10
Release date:2017-10-25
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Design of Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Crystallographic Surrogate Derived from Checkpoint Kinase 1 (CHK1).
J. Med. Chem., 60, 2017
5OPU
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STRUCTURE OF CHK1 10-PT. MUTANT COMPLEX WITH PYRROLOPYRIDINE LRRK2 INHIBITOR
Descriptor:Serine/threonine-protein kinase Chk1, 6-azanyl-4-(3-methylphenyl)-1~{H}-pyrrolo[2,3-b]pyridine-3-carbonitrile, CHLORIDE ION
Authors:Dokurno, P., Williamson, D.S., Acheson-Dossang, P., Chen, I., Murray, J.B., Shaw, T., Surgenor, A.E.
Deposit date:2017-08-10
Release date:2017-10-25
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Design of Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Crystallographic Surrogate Derived from Checkpoint Kinase 1 (CHK1).
J. Med. Chem., 60, 2017
5OPV
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STRUCTURE OF CHK1 10-PT. MUTANT COMPLEX WITH PYRROLOPYRIDINE LRRK2 INHIBITOR
Descriptor:Serine/threonine-protein kinase Chk1, 4-(3-methylphenyl)-6-[(1-methylpyrazol-3-yl)amino]-1~{H}-pyrrolo[2,3-b]pyridine-3-carbonitrile
Authors:Dokurno, P., Williamson, D.S., Acheson-Dossang, P., Chen, I., Murray, J.B., Shaw, T., Surgenor, A.E.
Deposit date:2017-08-10
Release date:2017-10-25
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Design of Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Crystallographic Surrogate Derived from Checkpoint Kinase 1 (CHK1).
J. Med. Chem., 60, 2017
5OQ5
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STRUCTURE OF CHK1 8-PT. MUTANT COMPLEX WITH AMINOPYRIMIDO-BENZODIAZEPINONE LRRK2 INHIBITOR
Descriptor:Serine/threonine-protein kinase Chk1, 2-[(2-methoxy-4-{[4-(4-methylpiperazin-1-yl)piperidin-1-yl]carbonyl}phenyl)amino]-5,11-dimethyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID
Authors:Dokurno, P., Williamson, D.S., Acheson-Dossang, P., Chen, I., Murray, J.B., Shaw, T., Surgenor, A.E.
Deposit date:2017-08-10
Release date:2017-10-25
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Design of Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Crystallographic Surrogate Derived from Checkpoint Kinase 1 (CHK1).
J. Med. Chem., 60, 2017
5OQ6
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STRUCTURE OF CHK1 12-PT. MUTANT COMPLEX WITH AMINOPYRIMIDO-BENZODIAZEPINONE LRRK2 INHIBITOR
Descriptor:Serine/threonine-protein kinase Chk1, 2-[(2-methoxy-4-{[4-(4-methylpiperazin-1-yl)piperidin-1-yl]carbonyl}phenyl)amino]-5,11-dimethyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one, CHLORIDE ION
Authors:Dokurno, P., Williamson, D.S., Acheson-Dossang, P., Chen, I., Murray, J.B., Shaw, T., Surgenor, A.E.
Deposit date:2017-08-10
Release date:2017-10-25
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Design of Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Crystallographic Surrogate Derived from Checkpoint Kinase 1 (CHK1).
J. Med. Chem., 60, 2017
5OQ7
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STRUCTURE OF CHK1 8-PT. MUTANT COMPLEX WITH ARYLBENZAMIDE LRRK2 INHIBITOR
Descriptor:Serine/threonine-protein kinase Chk1, 5-(4-methylpiperazin-1-yl)-2-phenylmethoxy-~{N}-pyridin-3-yl-benzamide
Authors:Dokurno, P., Williamson, D.S., Acheson-Dossang, P., Chen, I., Murray, J.B., Shaw, T., Surgenor, A.E.
Deposit date:2017-08-10
Release date:2017-10-25
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Design of Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Crystallographic Surrogate Derived from Checkpoint Kinase 1 (CHK1).
J. Med. Chem., 60, 2017
5OQ8
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STRUCTURE OF CHK1 12-PT. MUTANT COMPLEX WITH ARYLBENZAMIDE LRRK2 INHIBITOR
Descriptor:Serine/threonine-protein kinase Chk1, 5-(4-methylpiperazin-1-yl)-2-phenylmethoxy-~{N}-pyridin-3-yl-benzamide
Authors:Dokurno, P., Williamson, D.S., Acheson-Dossang, P., Chen, I., Murray, J.B., Shaw, T., Surgenor, A.E.
Deposit date:2017-08-10
Release date:2017-10-25
Last modified:2019-02-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Design of Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Crystallographic Surrogate Derived from Checkpoint Kinase 1 (CHK1).
J. Med. Chem., 60, 2017
3FZF
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CRYSTAL STRUCTURE OF HSC70/BAG1 IN COMPLEX WITH ATP
Descriptor:Heat shock cognate 71 kDa protein, BAG family molecular chaperone regulator 1, ADENOSINE-5'-TRIPHOSPHATE
Authors:Dokurno, P., Williamson, D.S., Murray, J.B., Surgenor, A.E.
Deposit date:2009-01-26
Release date:2009-03-17
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Novel adenosine-derived inhibitors of 70 kDa heat shock protein, discovered through structure-based design
J.Med.Chem., 52, 2009
3FZH
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CRYSTAL STRUCTURES OF HSC70/BAG1 IN COMPLEX WITH SMALL MOLECULE INHIBITORS
Descriptor:Heat shock cognate 71 kDa protein, BAG family molecular chaperone regulator 1, (2R,3R,4S,5R)-2-(6,8-diaminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Authors:Dokurno, P., Williamson, D.S., Murray, J.B., Surgenor, A.E.
Deposit date:2009-01-26
Release date:2009-03-17
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Novel adenosine-derived inhibitors of 70 kDa heat shock protein, discovered through structure-based design
J.Med.Chem., 52, 2009
3FZK
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CRYSTAL STRUCTURES OF HSC70/BAG1 IN COMPLEX WITH SMALL MOLECULE INHIBITORS
Descriptor:Heat shock cognate 71 kDa protein, BAG family molecular chaperone regulator 1, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
Authors:Dokurno, P., Williamson, D.S., Murray, J.B., Surgenor, A.E.
Deposit date:2009-01-26
Release date:2009-03-17
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Novel adenosine-derived inhibitors of 70 kDa heat shock protein, discovered through structure-based design
J.Med.Chem., 52, 2009
3FZL
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CRYSTAL STRUCTURES OF HSC70/BAG1 IN COMPLEX WITH SMALL MOLECULE INHIBITORS
Descriptor:Heat shock cognate 71 kDa protein, BAG family molecular chaperone regulator 1, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
Authors:Dokurno, P., Williamson, D.S., Murray, J.B., Surgenor, A.E.
Deposit date:2009-01-26
Release date:2009-03-17
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Novel adenosine-derived inhibitors of 70 kDa heat shock protein, discovered through structure-based design
J.Med.Chem., 52, 2009
3FZM
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CRYSTAL STRUCTURES OF HSC70/BAG1 IN COMPLEX WITH SMALL MOLECULE INHIBITORS
Descriptor:Heat shock cognate 71 kDa protein, BAG family molecular chaperone regulator 1, 4-[[(2R,3S,4R,5R)-5-[6-amino-8-(quinolin-6-ylmethylamino)purin-9-yl]-3,4-dihydroxy-oxolan-2-yl]methoxymethyl]benzonitrile
Authors:Dokurno, P., Williamson, D.S., Murray, J.B., Surgenor, A.E.
Deposit date:2009-01-26
Release date:2009-03-17
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Novel adenosine-derived inhibitors of 70 kDa heat shock protein, discovered through structure-based design
J.Med.Chem., 52, 2009
3LDL
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CRYSTAL STRUCTURE OF HUMAN GRP78 (70KDA HEAT SHOCK PROTEIN 5 / BIP) ATPASE DOMAIN IN COMPLEX WITH ATP
Descriptor:78 kDa glucose-regulated protein, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION
Authors:Dokurno, P., Surgenor, A.E., Shaw, T., Macias, A.T., Massey, A.J., Williamson, D.S.
Deposit date:2010-01-13
Release date:2011-01-26
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Adenosine-Derived Inhibitors of 78 kDa Glucose Regulated Protein (Grp78) ATPase: Insights into Isoform Selectivity.
J.Med.Chem., 54, 2011
3LDN
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CRYSTAL STRUCTURE OF HUMAN GRP78 (70KDA HEAT SHOCK PROTEIN 5 / BIP) ATPASE DOMAIN IN APO FORM
Descriptor:78 kDa glucose-regulated protein
Authors:Dokurno, P., Surgenor, A.E., Shaw, T., Macias, A.T., Massey, A.J., Williamson, D.S.
Deposit date:2010-01-13
Release date:2011-01-26
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Adenosine-Derived Inhibitors of 78 kDa Glucose Regulated Protein (Grp78) ATPase: Insights into Isoform Selectivity.
J.Med.Chem., 54, 2011
3LDO
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CRYSTAL STRUCTURE OF HUMAN GRP78 (70KDA HEAT SHOCK PROTEIN 5 / BIP) ATPASE DOMAIN IN COMPLEX WITH AMPPNP
Descriptor:78 kDa glucose-regulated protein, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
Authors:Dokurno, P., Surgenor, A.E., Shaw, T., Macias, A.T., Massey, A.J., Williamson, D.S.
Deposit date:2010-01-13
Release date:2011-01-26
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Adenosine-Derived Inhibitors of 78 kDa Glucose Regulated Protein (Grp78) ATPase: Insights into Isoform Selectivity.
J.Med.Chem., 54, 2011
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