6RLQ
 
 | | CRYSTAL STRUCTURE OF THE HUMAN PRMT5:MEP50 COMPLEX with JNJ45031882 | | 分子名称: | (1~{S},2~{R},3~{S},5~{R})-3-[2-(2-azanyl-3-bromanyl-quinolin-7-yl)ethyl]-5-(4-azanylpyrrolo[2,3-d]pyrimidin-7-yl)cyclop entane-1,2-diol, Methylosome protein 50, Protein arginine N-methyltransferase 5 | | 著者 | Brown, D.G, Robinson, C.M, Pande, V. | | 登録日 | 2019-05-02 | | 公開日 | 2020-07-15 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (2.53 Å) | | 主引用文献 | CRYSTAL STRUCTURE OF THE HUMAN PRMT5:MEP50 COMPLEX with JNJ45031882
To Be Published
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2DBE
 | | CRYSTAL STRUCTURE OF A BERENIL-DODECANUCLEOTIDE COMPLEX: THE ROLE OF WATER IN SEQUENCE-SPECIFIC LIGAND BINDING | | 分子名称: | BERENIL, DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3') | | 著者 | Brown, D.G, Sanderson, M.R, Skelly, J.V, Jenkins, T.C, Brown, T, Garman, E, Stuart, D.I, Neidle, S. | | 登録日 | 1990-03-19 | | 公開日 | 1991-07-15 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Crystal structure of a berenil-dodecanucleotide complex: the role of water in sequence-specific ligand binding.
EMBO J., 9, 1990
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6RLL
 | | CRYSTAL STRUCTURE OF THE HUMAN PRMT5:MEP50 COMPLEX with JNJ44064146 | | 分子名称: | (2~{R},3~{R},4~{S},5~{R})-2-(4-azanylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(1,8-diazaspiro[4.5]decan-1-ylmethyl)oxolane-3,4-diol, Methylosome protein 50, Protein arginine N-methyltransferase 5 | | 著者 | Brown, D.G, Robinson, C.M, Pande, V. | | 登録日 | 2019-05-02 | | 公開日 | 2020-06-03 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.22 Å) | | 主引用文献 | A chemical probe for the methyl transferase PRMT5 with a novel
binding mode
To Be Published
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6EZU
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6FG5
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6QDZ
 | | P38 alpha complex with AR117045 | | 分子名称: | 1-[5-~{tert}-butyl-2-(4-methylphenyl)pyrazol-3-yl]-3-[(1~{S},4~{S})-4-[(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]urea, 2-fluoro-4-[4-(4-fluorophenyl)-1H-pyrazol-3-yl]pyridine, Mitogen-activated protein kinase 14 | | 著者 | Brown, D.G, Hurley, C, Irving, S.L. | | 登録日 | 2019-01-03 | | 公開日 | 2020-01-29 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | | 主引用文献 | P38 alpha complex with AR117045
To Be Published
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6QE1
 | | P38 alpha complex with AR117046 | | 分子名称: | 1-[5-~{tert}-butyl-2-(4-methylphenyl)pyrazol-3-yl]-3-[(1~{S},4~{R})-4-[(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]urea, 2-fluoro-4-[4-(4-fluorophenyl)-1H-pyrazol-3-yl]pyridine, Mitogen-activated protein kinase 14 | | 著者 | Brown, D.G, Hurley, C, Irving, S.L. | | 登録日 | 2019-01-03 | | 公開日 | 2020-01-29 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | P38 alpha complex with AR117045 and AR117046
To Be Published
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1D63
 | | CRYSTAL STRUCTURE OF A BERENIL-D(CGCAAATTTGCG) COMPLEX; AN EXAMPLE OF DRUG-DNA RECOGNITION BASED ON SEQUENCE-DEPENDENT STRUCTURAL FEATURES | | 分子名称: | BERENIL, DNA (5'-D(*CP*GP*CP*AP*AP*AP*TP*TP*TP*GP*CP*G)-3'), MAGNESIUM ION | | 著者 | Brown, D.G, Sanderson, M.R, Garman, E, Neidle, S. | | 登録日 | 1992-03-02 | | 公開日 | 1993-01-15 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Crystal structure of a berenil-d(CGCAAATTTGCG) complex. An example of drug-DNA recognition based on sequence-dependent structural features.
J.Mol.Biol., 226, 1992
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6RSE
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3ZW3
 | | Fragment based discovery of a novel and selective PI3 Kinase inhibitor | | 分子名称: | N-{6-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]imidazo[1,2-a]pyridin-2-yl}acetamide, PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT GAMMA ISOFORM | | 著者 | Brown, D.G, Hughes, S.J, Milan, D.S, Kilty, I.C, Lewthwaite, R.A, Mathias, J.P, O'Reilly, M.A, Pannifer, A, Phelan, A, Baldock, D.A. | | 登録日 | 2011-07-28 | | 公開日 | 2011-09-28 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Fragment based discovery of a novel and selective PI3 kinase inhibitor.
Bioorg. Med. Chem. Lett., 21, 2011
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6RSH
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6RSB
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6RSC
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6RSD
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2XDE
 | | Crystal structure of the complex of PF-3450074 with an engineered HIV capsid N terminal domain | | 分子名称: | GAG POLYPROTEIN, N-METHYL-NALPHA-[(2-METHYL-1H-INDOL-3-YL)ACETYL]-N-PHENYL-L-PHENYLALANINAMIDE | | 著者 | Brown, D.G, Irving, S.L, Anderson, M, Bazin, R. | | 登録日 | 2010-04-30 | | 公開日 | 2010-12-22 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | HIV Capsid is a Tractable Target for Small Molecule Therapeutic Intervention.
Plos Pathog., 6, 2010
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2YIY
 | | Crystal structure of compound 8 bound to TAK1-TAB | | 分子名称: | (1E)-1-[5-TERT-BUTYL-2-(3-FLUOROPHENYL)-1H-PYRAZOL-3-YLIDENE]-3-(4-PYRIDIN-3-YLOXYPHENYL)UREA, MITOGEN-ACTIVATED PROTEIN KINASE KINASE KINASE 7, TGF-BETA-ACTIVATED KINASE 1 AND MAP3K7-BINDING PROTEIN 1 | | 著者 | Brown, D.G, Phillips, C. | | 登録日 | 2011-05-17 | | 公開日 | 2012-05-23 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.49 Å) | | 主引用文献 | The Discovery and Synthesis of Selective Dfg-Out Tak-1 Inhibitors
To be Published
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2JEW
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6RB6
 | | Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-053 | | 分子名称: | 1,2-ETHANEDIOL, 3-[5-[(4~{a}~{R},8~{a}~{S})-3-cycloheptyl-4-oxidanylidene-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-yl]-2-methoxy-phenyl]-~{N}-(furan-2-ylmethyl)prop-2-ynamide, FORMIC ACID, ... | | 著者 | Singh, A.K, Brown, D.G. | | 登録日 | 2019-04-09 | | 公開日 | 2019-07-24 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Alkynamide phthalazinones as a new class of TbrPDEB1 inhibitors (Part 2).
Bioorg.Med.Chem., 27, 2019
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6RCW
 | | Crystal structure of human phosphodiesterase 4D2 catalytic domain with inhibitor NPD-053 | | 分子名称: | 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 3-[5-[(4~{a}~{R},8~{a}~{S})-3-cycloheptyl-4-oxidanylidene-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-yl]-2-methoxy-phenyl]-~{N}-(furan-2-ylmethyl)prop-2-ynamide, ... | | 著者 | Singh, A.K, Brown, D.G. | | 登録日 | 2019-04-11 | | 公開日 | 2019-07-24 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.08 Å) | | 主引用文献 | Alkynamide phthalazinones as a new class of TbrPDEB1 inhibitors (Part 2).
Bioorg.Med.Chem., 27, 2019
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6RFN
 | | Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-1018 | | 分子名称: | 3-[5-[(4~{a}~{R},8~{a}~{S})-4-oxidanylidene-3-propan-2-yl-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-yl]-2-methoxy-phenyl]-~{N}-(3-methoxyphenyl)prop-2-ynamide, FORMIC ACID, GLYCEROL, ... | | 著者 | Singh, A.K, Brown, D.G. | | 登録日 | 2019-04-15 | | 公開日 | 2019-07-24 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.29 Å) | | 主引用文献 | Alkynamide phthalazinones as a new class of TbrPDEB1 inhibitors (Part 2).
Bioorg.Med.Chem., 27, 2019
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5NJ6
 | | Crystal structure of a thermostabilised human protease-activated receptor-2 (PAR2) in ternary complex with Fab3949 and AZ7188 at 4.0 angstrom resolution | | 分子名称: | Fab3949 H, Fab3949 L, Proteinase-activated receptor 2,Soluble cytochrome b562,Proteinase-activated receptor 2 | | 著者 | Cheng, R.K.Y, Fiez-Vandal, C, Schlenker, O, Edman, K, Aggeler, B, Brown, D.G, Brown, G, Cooke, R.M, Dumelin, C.E, Dore, A.S, Geschwindner, S, Grebner, C, Hermansson, N.-O, Jazayeri, A, Johansson, P, Leong, L, Prihandoko, R, Rappas, M, Soutter, H, Snijder, A, Sundstrom, L, Tehan, B, Thornton, P, Troast, D, Wiggin, G, Zhukov, A, Marshall, F.H, Dekker, N. | | 登録日 | 2017-03-28 | | 公開日 | 2017-05-03 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (4 Å) | | 主引用文献 | Structural insight into allosteric modulation of protease-activated receptor 2.
Nature, 545, 2017
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5NDZ
 | | Crystal structure of a thermostabilised human protease-activated receptor-2 (PAR2) in complex with AZ3451 at 3.6 angstrom resolution | | 分子名称: | 2-(6-bromanyl-1,3-benzodioxol-5-yl)-~{N}-(4-cyanophenyl)-1-[(1~{S})-1-cyclohexylethyl]benzimidazole-5-carboxamide, Lysozyme,Proteinase-activated receptor 2,Soluble cytochrome b562,Proteinase-activated receptor 2, SODIUM ION | | 著者 | Cheng, R.K.Y, Fiez-Vandal, C, Schlenker, O, Edman, K, Aggeler, B, Brown, D.G, Brown, G, Cooke, R.M, Dumelin, C.E, Dore, A.S, Geschwindner, S, Grebner, C, Hermansson, N.-O, Jazayeri, A, Johansson, P, Leong, L, Prihandoko, R, Rappas, M, Soutter, H, Snijder, A, Sundstrom, L, Tehan, B, Thornton, P, Troast, D, Wiggin, G, Zhukov, A, Marshall, F.H, Dekker, N. | | 登録日 | 2017-03-09 | | 公開日 | 2017-05-03 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (3.6 Å) | | 主引用文献 | Structural insight into allosteric modulation of protease-activated receptor 2.
Nature, 545, 2017
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5NDD
 | | Crystal structure of a thermostabilised human protease-activated receptor-2 (PAR2) in complex with AZ8838 at 2.8 angstrom resolution | | 分子名称: | (~{S})-(4-fluoranyl-2-propyl-phenyl)-(1~{H}-imidazol-2-yl)methanol, Lysozyme,Proteinase-activated receptor 2,Soluble cytochrome b562,Proteinase-activated receptor 2, PHOSPHATE ION, ... | | 著者 | Cheng, R.K.Y, Fiez-Vandal, C, Schlenker, O, Edman, K, Aggeler, B, Brown, D.G, Brown, G, Cooke, R.M, Dumelin, C.E, Dore, A.S, Geschwindner, S, Grebner, C, Hermansson, N.-O, Jazayeri, A, Johansson, P, Leong, L, Prihandoko, R, Rappas, M, Soutter, H, Snijder, A, Sundstrom, L, Tehan, B, Thornton, P, Troast, D, Wiggin, G, Zhukov, A, Marshall, F.H, Dekker, N. | | 登録日 | 2017-03-08 | | 公開日 | 2017-05-03 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.801 Å) | | 主引用文献 | Structural insight into allosteric modulation of protease-activated receptor 2.
Nature, 545, 2017
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4UN1
 | | Sirohaem decarboxylase AhbA/B - an enzyme with structural homology to the Lrp/AsnC transcription factor family that is part of the alternative haem biosynthesis pathway. | | 分子名称: | 12,18-DIDECARBOXY-SIROHEME, PUTATIVE TRANSCRIPTIONAL REGULATOR, ASNC FAMILY | | 著者 | Palmer, D.J, Brown, D.G, Warren, M.J, Pickersgill, R.W. | | 登録日 | 2014-05-23 | | 公開日 | 2014-06-11 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | | 主引用文献 | The Structure, Function and Properties of Sirohaem Decarboxylase - an Enzyme with Structural Homology to a Transcription Factor Family that is Part of the Alternative Haem Biosynthesis Pathway.
Mol.Microbiol., 93, 2014
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5N0G
 | | Crystal Structure of CobH T85A (precorrin-8x methyl mutase) complexed with C5 allyl-HBA | | 分子名称: | 3-[(1~{R},2~{S},3~{S},4~{Z},7~{S},8~{S},9~{Z},15~{R},17~{R},18~{R},19~{R})-2,7,18-tris(2-hydroxy-2-oxoethyl)-3,13,17-tris(3-hydroxy-3-oxopropyl)-1,2,7,12,12,15,17-heptamethyl-5-prop-2-enyl-3,8,15,18,19,21-hexahydrocorrin-8-yl]propanoic acid, GLYCEROL, Precorrin-8X methylmutase | | 著者 | Nemoto-Smith, E.H, Lawrence, A.D, Brown, D.G, Warren, M.J. | | 登録日 | 2017-02-02 | | 公開日 | 2018-02-14 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.57 Å) | | 主引用文献 | Novel cobalamin analogues and their application in the trafficking of cobalamin in bacteria, worms and plants
To Be Published
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