Author results

1JUC
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CRYSTAL STRUCTURE ANALYSIS OF A HOLLIDAY JUNCTION FORMED BY CCGGTACCGG
分子名称:5'-D(*CP*CP*GP*GP*TP*AP*CP*CP*GP*G)-3'
著者Thorpe, J.H., Teixeira, S.C.M., Gale, B.C., Cardin, C.J.
登録日2001-08-24
公開日2002-02-22
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structural characterization of a new crystal form of the four-way Holliday junction formed by the DNA sequence d(CCGGTACCGG)2: sequence versus lattice?
Acta Crystallogr.,Sect.D, 58, 2002
1L4J
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HOLLIDAY JUNCTION TCGGTACCGA WITH NA AND CA BINDING SITES.
分子名称:5'-D(*TP*CP*GP*GP*TP*AP*CP*CP*GP*A)-3', CALCIUM ION, SODIUM ION
著者Thorpe, J.H., Gale, B.C., Teixeira, S.C.M., Cardin, C.J.
登録日2002-03-05
公開日2003-03-04
最終更新日2019-07-24
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Conformational and Hydration Effects of Site-selective Sodium, Calcium and Strontium Ion Binding to the DNA Holliday Junction Structure d(TCGGTACCGA)4
J.Mol.Biol., 327, 2003
1M6G
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STRUCTURAL CHARACTERISATION OF THE HOLLIDAY JUNCTION TCGGTACCGA
分子名称:5'-D(*TP*CP*GP*GP*TP*AP*CP*CP*GP*A)-3', STRONTIUM ION
著者Thorpe, J.H., Gale, B.C., Teixeira, S.C.M., Cardin, C.J.
登録日2002-07-16
公開日2003-05-06
最終更新日2019-07-24
実験手法X-RAY DIFFRACTION (1.652 Å)
主引用文献Conformational and hydration effects of site-selective sodium, calcium and strontium ion binding to the DNA Holliday junction structure d(TCGGTACCGA)(4)
J.Mol.Biol., 327, 2003
1MF5
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GCATGCT QUADRUPLEX
分子名称:5'-D(*GP*CP*AP*TP*GP*CP*T)-3', COBALT HEXAMMINE(III)
著者Thorpe, J.H., Teixeira, S.C.M., Gale, B.C., Cardin, C.J.
登録日2002-08-09
公開日2003-02-11
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Crystal structure of the complementary quadruplex formed by d(GCATGCT) at atomic resolution
Nucleic Acids Res., 31, 2003
6QFE
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CRYSTAL STRUCTURE OF HUMAN KALLIKREIN 5 IN COMPLEX WITH GSK144
分子名称:Kallikrein-5, N-ACETYL-D-GLUCOSAMINE, SODIUM ION, ...
著者Thorpe, J.H.
登録日2019-01-10
公開日2019-05-08
最終更新日2019-05-15
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Evaluation of a crystallographic surrogate for kallikrein 5 in the discovery of novel inhibitors for Netherton syndrome.
Acta Crystallogr.,Sect.F, 75, 2019
6QFF
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CRYSTAL STRUCTURE OF HUMAN KALLIKREIN 6 IN COMPLEX WITH GSK144
分子名称:Kallikrein-6, 4-[(5-phenyl-1~{H}-imidazol-2-yl)methylamino]-2-(pyridin-3-ylmethoxy)benzenecarboximidamide, GLYCEROL
著者Thorpe, J.H.
登録日2019-01-10
公開日2019-05-08
最終更新日2019-05-15
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Evaluation of a crystallographic surrogate for kallikrein 5 in the discovery of novel inhibitors for Netherton syndrome.
Acta Crystallogr.,Sect.F, 75, 2019
6QFG
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CRYSTAL STRUCTURE OF HUMAN KALLIKREIN 6 (I218Y) IN COMPLEX WITH GSK144
分子名称:Kallikrein-6, GLYCEROL, 4-[(5-phenyl-1~{H}-imidazol-2-yl)methylamino]-2-(pyridin-3-ylmethoxy)benzenecarboximidamide
著者Thorpe, J.H.
登録日2019-01-10
公開日2019-05-08
最終更新日2019-05-15
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Evaluation of a crystallographic surrogate for kallikrein 5 in the discovery of novel inhibitors for Netherton syndrome.
Acta Crystallogr.,Sect.F, 75, 2019
6QFH
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CRYSTAL STRUCTURE OF HUMAN KALLIKREIN 6 (N217D/I218Y/K224R) IN COMPLEX WITH GSK144.
分子名称:Kallikrein-6, 4-[(5-phenyl-1~{H}-imidazol-2-yl)methylamino]-2-(pyridin-3-ylmethoxy)benzenecarboximidamide, GLYCEROL
著者Thorpe, J.H.
登録日2019-01-10
公開日2019-05-08
最終更新日2019-05-15
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Evaluation of a crystallographic surrogate for kallikrein 5 in the discovery of novel inhibitors for Netherton syndrome.
Acta Crystallogr.,Sect.F, 75, 2019
1EG6
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CRYSTAL STRUCTURE ANALYSIS OF D(CG(5-BRU)ACG) COMPLEXES TO A PHENAZINE
分子名称:5'-D(*CP*GP*(BRO)UP*AP*CP*G)-3', COBALT (III) ION, BROMIDE ION, ...
著者Cardin, C.J., Denny, W.A., Hobbs, J.R., Thorpe, J.H.
登録日2000-02-14
公開日2001-01-03
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Guanine specific binding at a DNA junction formed by d[CG(5-BrU)ACG](2) with a topoisomerase poison in the presence of Co(2+) ions.
Biochemistry, 39, 2000
452D
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ACRIDINE BINDING TO DNA
分子名称:DNA (5'-D(*CP*GP*TP*AP*CP*G)-3'), 9-AMINO-(N-(2-DIMETHYLAMINO)ETHYL)ACRIDINE-4-CARBOXAMIDE, (4S)-2-METHYL-2,4-PENTANEDIOL
著者Thorpe, J.H., Todd, A.K., Cardin, C.J.
登録日1999-02-18
公開日2003-03-04
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Major groove binding and 'DNA-induced' fit in the intercalation of a derivative of the mixed topoisomerase I/II poison N-(2-(dimethlyamino)ethyl)acridine-4-carboxamide (DACA) into DNA: X-ray structure complexed to d(CG(5Br-U)ACG)2 at 1.3-angstrom resolution
J.Med.Chem., 42, 1999
6HHO
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CRYSTAL STRUCTURE OF RIP1 KINASE IN COMPLEX WITH GSK547
分子名称:Receptor-interacting serine/threonine-protein kinase 1, 6-[4-[(5~{S})-5-[3,5-bis(fluoranyl)phenyl]pyrazolidin-1-yl]carbonylpiperidin-1-yl]pyrimidine-4-carbonitrile
著者Thorpe, J.H., Harris, P.A.
登録日2018-08-28
公開日2018-12-12
実験手法X-RAY DIFFRACTION (3.49 Å)
主引用文献RIP1 Kinase Drives Macrophage-Mediated Adaptive Immune Tolerance in Pancreatic Cancer.
Cancer Cell, 34, 2018
6OCQ
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CRYSTAL STRUCTURE OF RIP1 KINASE IN COMPLEX WITH A PYRROLIDINE
分子名称:Receptor-interacting serine/threonine-protein kinase 1, 1-[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one, SULFATE ION
著者Thorpe, J.H., Harris, P.A.
登録日2019-03-25
公開日2019-05-08
最終更新日2019-06-05
実験手法X-RAY DIFFRACTION (2.793 Å)
主引用文献Discovery and Lead-Optimization of 4,5-Dihydropyrazoles as Mono-Kinase Selective, Orally Bioavailable and Efficacious Inhibitors of Receptor Interacting Protein 1 (RIP1) Kinase.
J.Med.Chem., 62, 2019
6QH9
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CRYSTAL STRUCTURE OF HUMAN KALLIKREIN 6 IN COMPLEX WITH GSK3239861A
分子名称:Kallikrein-6, UNKNOWN ATOM OR ION, (3~{S})-~{N}-(4-carbamimidoylphenyl)-2-oxidanylidene-piperidine-3-carboxamide, ...
著者Thorpe, J.H.
登録日2019-01-16
公開日2019-02-06
最終更新日2019-02-27
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Kallikrein 5 inhibitors identified through structure based drug design in search for a treatment for Netherton Syndrome.
Bioorg. Med. Chem. Lett., 29, 2019
6QHA
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CRYSTAL STRUCTURE OF HUMAN KALLIKREIN 6 IN COMPLEX WITH GSK3205388B
分子名称:Kallikrein-6, GLYCEROL, UNKNOWN ATOM OR ION, ...
著者Thorpe, J.H.
登録日2019-01-16
公開日2019-02-06
最終更新日2019-02-27
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Kallikrein 5 inhibitors identified through structure based drug design in search for a treatment for Netherton Syndrome.
Bioorg. Med. Chem. Lett., 29, 2019
6QHB
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CRYSTAL STRUCTURE OF HUMAN KALLIKREIN 6 IN COMPLEX WITH GSK578724A
分子名称:Kallikrein-6, ~{N}-(4-carbamimidoylphenyl)-3-methoxy-2-oxidanyl-benzamide, GLYCEROL
著者Thorpe, J.H.
登録日2019-01-16
公開日2019-02-06
最終更新日2019-02-27
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Kallikrein 5 inhibitors identified through structure based drug design in search for a treatment for Netherton Syndrome.
Bioorg. Med. Chem. Lett., 29, 2019
6QHC
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CRYSTAL STRUCTURE OF HUMAN KALLIKREIN 6 IN COMPLEX WITH GSK358180B
分子名称:Kallikrein-6, GLYCEROL, N-(4-CARBAMIMIDOYL-PHENYL)-2-HYDROXY-BENZAMIDE, ...
著者Thorpe, J.H.
登録日2019-01-16
公開日2019-02-06
最終更新日2019-02-27
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Kallikrein 5 inhibitors identified through structure based drug design in search for a treatment for Netherton Syndrome.
Bioorg. Med. Chem. Lett., 29, 2019
6R5F
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CRYSTAL STRUCTURE OF RIP1 KINASE IN COMPLEX WITH DHP77
分子名称:Receptor-interacting serine/threonine-protein kinase 1, [(5~{S})-5-[3,5-bis(fluoranyl)phenyl]pyrazolidin-1-yl]-[1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]methanone
著者Thorpe, J.H., Campobasso, N., Harris, P.A.
登録日2019-03-25
公開日2019-05-01
最終更新日2019-08-21
実験手法X-RAY DIFFRACTION (3.25 Å)
主引用文献Discovery and Lead-Optimization of 4,5-Dihydropyrazoles as Mono-Kinase Selective, Orally Bioavailable and Efficacious Inhibitors of Receptor Interacting Protein 1 (RIP1) Kinase.
J.Med.Chem., 62, 2019
6RLN
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CRYSTAL STRUCTURE OF RIP1 KINASE IN COMPLEX WITH GSK3145095
分子名称:Receptor-interacting serine/threonine-protein kinase 1, ~{N}-[(3~{S})-7,9-bis(fluoranyl)-2-oxidanylidene-1,3,4,5-tetrahydro-1-benzazepin-3-yl]-3-(phenylmethyl)-1~{H}-1,2,4-triazole-5-carboxamide
著者Thorpe, J.H., Harris, P.A.
登録日2019-05-02
公開日2019-07-03
実験手法X-RAY DIFFRACTION (2.87 Å)
主引用文献Identification of a RIP1 Kinase Inhibitor Clinical Candidate (GSK3145095) for the Treatment of Pancreatic Cancer.
Acs Med.Chem.Lett., 10, 2019
6SKB
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CRYSTAL STRUCTURE OF HUMAN KALLIKREIN 6 (N217D/I218Y/K224R) IN COMPLEX WITH GSK3496783A
分子名称:Kallikrein-6, 4-[(3~{S})-1-oxidanyl-3,4-dihydro-2,1-benzoxaborinin-3-yl]-2-(pyridin-3-ylmethoxy)benzenecarboximidamide, 4-[(3~{R})-1-oxidanyl-3,4-dihydro-2,1-benzoxaborinin-3-yl]-2-(pyridin-3-ylmethoxy)benzenecarboximidamide, ...
著者Thorpe, J.H.
登録日2019-08-15
公開日2019-09-25
最終更新日2019-10-02
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Design and development of a series of borocycles as selective, covalent kallikrein 5 inhibitors.
Bioorg.Med.Chem.Lett., 29, 2019
6SKC
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CRYSTAL STRUCTURE OF HUMAN KALLIKREIN 6 (I218Y) IN COMPLEX WITH GSK3448330A
分子名称:Kallikrein-6, 4-[(3~{S})-1-oxidanyl-3,4-dihydro-2,1-benzoxaborinin-3-yl]benzenecarboximidamide, BENZAMIDINE, ...
著者Thorpe, J.H.
登録日2019-08-15
公開日2019-09-25
最終更新日2019-10-02
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Design and development of a series of borocycles as selective, covalent kallikrein 5 inhibitors.
Bioorg.Med.Chem.Lett., 29, 2019
6SKD
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CRYSTAL STRUCTURE OF HUMAN KALLIKREIN 6 (I218Y) IN COMPLEX WITH GSK3397892A
分子名称:Kallikrein-6, UNKNOWN ATOM OR ION, 4-[[(3~{S})-1-oxidanyl-3,4-dihydro-2,1-benzoxaborinin-3-yl]methylamino]benzenecarboximidamide, ...
著者Thorpe, J.H.
登録日2019-08-15
公開日2019-09-25
最終更新日2019-10-02
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Design and development of a series of borocycles as selective, covalent kallikrein 5 inhibitors.
Bioorg.Med.Chem.Lett., 29, 2019
1K2L
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STRUCTURAL CHARACTERIZATION OF BISINTERCALATION IN HIGHER-ORDER DNA AT A JUNCTION-LIKE QUADRUPLEX
分子名称:5'-D(*CP*GP*TP*AP*CP*G)-3', COBALT (II) ION, BIS-(9-OCTYLAMINO(2-DIMETHYLAMINOETHYL)ACRIDINE-4-CARBOXAMIDE
著者Teixeira, S.C.M., Thorpe, J.H., Todd, A.K., Powell, H.R., Adams, A., Wakelin, L.P.G., Denny, W.A., Cardin, C.J.
登録日2001-09-28
公開日2002-10-16
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural Characterisation of Bisintercalation in Higher-order DNA at a Junction-like Quadruplex
J.MOL.BIOL., 323, 2002
1M69
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ATOMIC RESOLUTION STRUCTURE OF 5BR-9AMINO-DACA WITH D[CGTACG]2
分子名称:5'-D(*CP*GP*TP*AP*CP*G)-3', 5-BROMO-N[2-(DIMETHYLAMINO)ETHYL]-9-AMINOACRIDINE-4-CARBOXAMIDE, SPERMINE
著者Teixeira, S.C.M., Thorpe, J.H., Todd, A.K., Cardin, C.J.
登録日2002-07-15
公開日2003-08-19
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Heavy Going: the Atomic Resolution Structure of a Topoisomerase II Poison Intercalating into DNA in Multiple Orientations Also Reveals a Multiple Adenine-Thymine Hydrogen Bonding Pattern
To be Published
1NQS
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STRUCTURAL CHARACTERISATION OF THE HOLLIDAY JUNCTION FORMED BY THE SEQUENCE D(TCGGTACCGA) AT 1.97 A
分子名称:5'-d(TpCpGpGpTpApCpCpGpA)-3', CALCIUM ION
著者Cardin, C.J., Gale, B.C., Thorpe, J.H., Texieira, S.C.M., Gan, Y., Moraes, M.I.A.A., Brogden, A.L.
登録日2003-01-22
公開日2003-02-04
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Structural Analysis of two Holliday junctions formed by the sequences TCGGTACCGA and CCGGTACCGG
To be Published
1NT8
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STRUCTURAL CHARACTERISATION OF THE HOLLIDAY JUNCTION FORMED BY THE SEQUENCE CCGGTACCGG AT 2.00 A
分子名称:5'-d(CpCpGpGpTpApCpCpGpG)-3', CALCIUM ION
著者Cardin, C.J., Gale, B.C., Thorpe, J.H., Texieira, S.C.M., Gan, Y., Moraes, M.I.A.A., Brogden, A.L.
登録日2003-01-29
公開日2003-02-11
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural Analysis of two Holliday Junctions formed by the sequences TCGGTACCGA and CCGGTACCGG
To be Published
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