8V42
 
 | | Structure of Human Vaccinia-related Kinase 1 (VRK1) Bound to ACH000400 | | 分子名称: | (7S)-2-(3,5-difluoro-4-hydroxyanilino)-7-methyl-5-[(1,2-oxazol-5-yl)methyl]-8-(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5H)-one, DI(HYDROXYETHYL)ETHER, SULFATE ION, ... | | 著者 | Counago, R.M, de Souza, G.P, Azevedo, A, Guimaraes, C, Mascarello, A, Gama, F, Ferreira, M, Arruda, P. | | 登録日 | 2023-11-28 | | 公開日 | 2024-09-04 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Novel Dihydropteridinone Derivatives As Potent Inhibitors of the Understudied Human Kinases Vaccinia-Related Kinase 1 and Casein Kinase 1 delta / epsilon.
J.Med.Chem., 67, 2024
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2QAJ
 | | Crystal structure of a thermostable mutant of Bacillus subtilis Adenylate Kinase (Q199R/G213E) | | 分子名称: | Adenylate kinase, BIS(ADENOSINE)-5'-PENTAPHOSPHATE, MAGNESIUM ION, ... | | 著者 | Counago, R, Wilson, C.J, Myers, J, Wu, G, Shamoo, Y. | | 登録日 | 2007-06-15 | | 公開日 | 2008-04-29 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Crystal structure of a thermostable mutant of Bacillus subtilis Adenylate Kinase (Q199R/G213E)
To be Published
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3HA1
 | | Alanine racemase from Bacillus Anthracis (Ames) | | 分子名称: | ACETATE ION, Alanine racemase, CHLORIDE ION | | 著者 | Counago, R.M, Davlieva, M, Strych, U, Hill, R.E, Krause, K.L. | | 登録日 | 2009-04-30 | | 公開日 | 2009-09-15 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Biochemical and structural characterization of alanine racemase from Bacillus anthracis (Ames).
Bmc Struct.Biol., 9, 2009
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6NPN
 | | Crystal Structure of the Human vaccinia-related kinase bound to a N,N-dipropynyl-dihydropteridine-3-hydroxyindazole inhibitor | | 分子名称: | (7R)-7-methyl-2-[(3-oxo-2,3-dihydro-1H-indazol-6-yl)amino]-5,8-di(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5H)-one, 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Counago, R.M, dos Reis, C.V, Takarada, J.E, Azevedo, A, Guimaraes, C, Mascarello, A, Gama, F, Ferreira, M, Massirer, K.B, Arruda, P, Edwards, A.M, Elkins, J.M, Structural Genomics Consortium (SGC) | | 登録日 | 2019-01-18 | | 公開日 | 2019-02-20 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Crystal Structure of the Human vaccinia-related kinase bound to a N,N-dipropynyl-dihydropteridine-3-hydroxyindazole inhibitor
To Be Published
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5IKW
 | | Crystal Structure of BMP-2-inducible kinase in complex with an Indazole inhibitor | | 分子名称: | BMP-2-inducible protein kinase, N-(6-{3-[(cyclopropylsulfonyl)amino]phenyl}-1H-indazol-3-yl)cyclopropanecarboxamide | | 著者 | Counago, R.M, Sorrell, F.J, Krojer, T, Savitsky, P, Elkins, J.M, Axtman, A, Drewry, D, Wells, C, Zhang, C, Zuercher, W, Willson, T.M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Arruda, P, Gileadi, O, Structural Genomics Consortium (SGC) | | 登録日 | 2016-03-04 | | 公開日 | 2016-06-29 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.41 Å) | | 主引用文献 | Crystal Structure of BMP-2-inducible kinase in complex with a 3-acylaminoindazole inhibitor GSK3236425A
To Be Published
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4P5I
 | | Crystal structure of the chemokine binding protein from orf virus | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Chemokine binding protein | | 著者 | Counago, R.M, Krause, K.L. | | 登録日 | 2014-03-17 | | 公開日 | 2015-07-15 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Structures of Orf Virus Chemokine Binding Protein in Complex with Host Chemokines Reveal Clues to Broad Binding Specificity.
Structure, 23, 2015
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6VXR
 | | Structure of Maternal embryonic leucine zipper kinase bound to LDSM276 | | 分子名称: | (7R)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7-methyl-5,8-di(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5H)-one, 1,2-ETHANEDIOL, Maternal embryonic leucine zipper kinase | | 著者 | Counago, R.M, Takarada, J.E, dos Reis, C.V, Gama, F.H, Azevedo, H, Mascarello, A, Guimaraes, C.R, Structural Genomics Consortium (SGC) | | 登録日 | 2020-02-24 | | 公開日 | 2020-07-29 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Structure of Maternal embryonic leucine zipper kinase bound to LDSM276
To Be Published
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5I3O
 | | Crystal Structure of BMP-2-inducible kinase in complex with an Indazole inhibitor | | 分子名称: | BMP-2-inducible protein kinase, N-(6-{3-[(dimethylsulfamoyl)amino]phenyl}-1H-indazol-3-yl)cyclopropanecarboxamide, SULFATE ION | | 著者 | Counago, R.M, Sorrell, F.J, Krojer, T, Savitsky, P, Elkins, J.M, Axtman, A, Drewry, D, Wells, C, Zhang, C, Zuercher, W, Willson, T.M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Arruda, P, Gileadi, O, Structural Genomics Consortium (SGC) | | 登録日 | 2016-02-10 | | 公開日 | 2016-03-09 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Crystal Structure of BMP-2-inducible kinase in complex with an Indazole inhibitor
To Be Published
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5I3R
 | | Crystal Structure of BMP-2-inducible kinase in complex with an Indazole inhibitor | | 分子名称: | BMP-2-inducible protein kinase, N-[6-(3-{[(cyclopropylmethyl)sulfonyl]amino}phenyl)-1H-indazol-3-yl]cyclopropanecarboxamide, PHOSPHATE ION | | 著者 | Counago, R.M, Sorrell, F.J, Krojer, T, Savitsky, P, Elkins, J.M, Axtman, A, Drewry, D, Wells, C, Zhang, C, Zuercher, W, Willson, T.M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Arruda, P, Gileadi, O, Structural Genomics Consortium (SGC) | | 登録日 | 2016-02-10 | | 公開日 | 2016-03-09 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Crystal Structure of BMP-2-inducible kinase in complex with an Indazole inhibitor
To Be Published
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5D90
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5D8C
 | | Crystal structure of HiNmlR, a MerR family regulator lacking the sensor domain, bound to promoter DNA | | 分子名称: | DNA (5'-D(*CP*TP*TP*AP*GP*AP*GP*TP*GP*AP*AP*CP*TP*CP*TP*AP*AP*G)-3'), DNA (5'-D(*CP*TP*TP*AP*GP*AP*GP*TP*TP*CP*AP*CP*TP*CP*TP*AP*AP*G)-3'), MerR family regulator protein | | 著者 | Counago, R.M, Chang, C.W, Chen, N.H, Djoko, K.Y, McEwan, A.G, Kobe, B. | | 登録日 | 2015-08-17 | | 公開日 | 2016-06-29 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Structural basis of thiol-based regulation of formaldehyde detoxification in H. influenzae by a MerR regulator with no sensor region.
Nucleic Acids Res., 44, 2016
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5E01
 | | Crystal structure of HiNmlR, a MerR family regulator lacking the sensor domain, bound to palyndromic promoter DNA | | 分子名称: | 5'-D(*CP*TP*TP*AP*GP*AP*GP*TP*GP*CP*AP*CP*TP*CP*TP*AP*AP*G)-3', Uncharacterized HTH-type transcriptional regulator HI_0186 | | 著者 | Counago, R.M, Chang, C.W, Chen, N.H, Djoko, K.Y, McEwan, A.G, Kobe, B. | | 登録日 | 2015-09-26 | | 公開日 | 2016-06-29 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structural basis of thiol-based regulation of formaldehyde detoxification in H. influenzae by a MerR regulator with no sensor region.
Nucleic Acids Res., 44, 2016
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2ORI
 | | Crystal structure of a thermostable mutant of Bacillus subtilis Adenylate Kinase (A193V/Q199R/) | | 分子名称: | Adenylate kinase, BIS(ADENOSINE)-5'-PENTAPHOSPHATE, MAGNESIUM ION, ... | | 著者 | Counago, R, Shamoo, Y, Wilson, C.J, Wu, G, Myers, J. | | 登録日 | 2007-02-02 | | 公開日 | 2008-01-15 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Crystal structure of a thermostable mutant of Bacillus subtilis Adenylate Kinase (A193V/Q199R/)
To be Published
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2OO7
 | | Crystal structure of a thermostable mutant of Bacillus subtilis Adenylate Kinase (T179I/Q199R) | | 分子名称: | Adenylate kinase, BIS(ADENOSINE)-5'-PENTAPHOSPHATE, MAGNESIUM ION, ... | | 著者 | Counago, R, Wilson, C.J, Wu, G, Myers, J.C, Wittung-Stafshede, P, Shamoo, Y. | | 登録日 | 2007-01-25 | | 公開日 | 2008-02-05 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Crystal structure of a thermostable mutant of Bacillus subtilis Adenylate Kinase (T179I/Q199R)
To be Published
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2P3S
 | | Crystal structure of a thermostable mutant of Bacillus subtilis Adenylate Kinase (G214R/Q199R) | | 分子名称: | Adenylate kinase, BIS(ADENOSINE)-5'-PENTAPHOSPHATE, MAGNESIUM ION, ... | | 著者 | Counago, R, Wilson, C.J, Myers, J, Wu, G, Shamoo, Y. | | 登録日 | 2007-03-09 | | 公開日 | 2008-01-22 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Crystal structure of a thermostable mutant of Bacillus subtilis Adenylate Kinase (G214R/Q199R)
To be Published
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5UKF
 | | Crystal Structure of the Human Vaccinia-related Kinase 1 Bound to an Oxindole Inhibitor | | 分子名称: | 4-{[(Z)-(7-oxo-6,7-dihydro-8H-[1,3]thiazolo[5,4-e]indol-8-ylidene)methyl]amino}benzene-1-sulfonamide, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Counago, R.M, Wells, C, Zuercher, W, Willson, T.M, Bountra, C, Edwards, A.M, Arruda, P, Gileadi, O, Structural Genomics Consortium (SGC) | | 登録日 | 2017-01-22 | | 公開日 | 2017-03-29 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Structural characterization of human Vaccinia-Related Kinases (VRK) bound to small-molecule inhibitors identifies different P-loop conformations.
Sci Rep, 7, 2017
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5UVF
 | | Crystal Structure of the Human vaccinia-related kinase bound to BI-D1870 | | 分子名称: | (7S)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7-dimethyl-8-(3-methylbutyl)-7,8-dihydropteridin-6(5H)-one, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Counago, R.M, Bountra, C, Arruda, P, Edwards, A.M, Gileadi, O, Structural Genomics Consortium (SGC) | | 登録日 | 2017-02-20 | | 公開日 | 2017-03-22 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structural characterization of human Vaccinia-Related Kinases (VRK) bound to small-molecule inhibitors identifies different P-loop conformations.
Sci Rep, 7, 2017
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3ZK8
 | | CRYSTAL STRUCTURE OF PNEUMOCOCCAL SURFACE ANTIGEN PSAA E205Q IN THE METAL-FREE, OPEN STATE | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MANGANESE ABC TRANSPORTER SUBSTRATE-BINDING LIPOPROTEIN | | 著者 | Counago, R.M, Ween, M.P, Bajaj, M, Zuegg, J, Cooper, M.A, McEwan, A.G, Paton, J.C, Kobe, B, McDevitt, C.A. | | 登録日 | 2013-01-22 | | 公開日 | 2013-11-06 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Imperfect coordination chemistry facilitates metal ion release in the Psa permease.
Nat. Chem. Biol., 10, 2014
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3ZK9
 | | CRYSTAL STRUCTURE OF PNEUMOCOCCAL SURFACE ANTIGEN PSAA D280N IN THE METAL-FREE, OPEN STATE | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MANGANESE ABC TRANSPORTER SUBSTRATE-BINDING LIPOPROTEIN | | 著者 | Counago, R.M, Ween, M.P, Bajaj, M, Zuegg, J, Cooper, M.A, McEwan, A.G, Paton, J.C, Kobe, B, McDevitt, C.A. | | 登録日 | 2013-01-22 | | 公開日 | 2013-11-06 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Imperfect coordination chemistry facilitates metal ion release in the Psa permease.
Nat. Chem. Biol., 10, 2014
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5VT1
 | | Crystal Structure of the Human CAMKK2B bound to a thiadiazinone benzamide inhibitor | | 分子名称: | 4-({5-[(3-hydroxy-4-methylphenyl)amino]-4-oxo-4H-1,2,6-thiadiazin-3-yl}amino)benzamide, Calcium/calmodulin-dependent protein kinase kinase 2, MAGNESIUM ION | | 著者 | Counago, R.M, Asquith, C.R.M, Arruda, P, Edwards, A.M, Gileadi, O, Kalogirou, A.S, Koutentis, P.A, Structural Genomics Consortium (SGC) | | 登録日 | 2017-05-15 | | 公開日 | 2017-05-24 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | 1,2,6-Thiadiazinones as Novel Narrow Spectrum Calcium/Calmodulin-Dependent Protein Kinase Kinase 2 (CaMKK2) Inhibitors.
Molecules, 23, 2018
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5UU1
 | | Crystal Structure of Human Vaccinia-related kinase 2 (VRK-2) bound to BI-D1870 | | 分子名称: | (7S)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7-dimethyl-8-(3-methylbutyl)-7,8-dihydropteridin-6(5H)-one, Serine/threonine-protein kinase VRK2 | | 著者 | Counago, R.M, Bountra, C, Arruda, P, Edwards, A.M, Gileadi, O, Structural Genomics Consortium (SGC) | | 登録日 | 2017-02-15 | | 公開日 | 2017-03-01 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structural characterization of human Vaccinia-Related Kinases (VRK) bound to small-molecule inhibitors identifies different P-loop conformations.
Sci Rep, 7, 2017
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6CFM
 | | Crystal Structure of the Human vaccinia-related kinase bound to a propynyl-pteridinone inhibitor | | 分子名称: | (7R)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7,8-dimethyl-5-(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5H)-one, CHLORIDE ION, GLYCEROL, ... | | 著者 | Counago, R.M, dos Reis, C.V, de Souza, G.P, Azevedo, A, Guimaraes, C, Mascarello, A, Gama, F, Ferreira, M, Massirer, K.B, Arruda, P, Edwards, A.M, Elkins, J.M, Structural Genomics Consortium (SGC) | | 登録日 | 2018-02-15 | | 公開日 | 2018-03-07 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | | 主引用文献 | Crystal Structure of the Human vaccinia-related kinase bound to a propynyl-pteridinone inhibitor
To Be Published
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5UV4
 | | Crystal Structure of Maize SIRK1 (sucrose-induced receptor kinase 1) kinase domain bound to AMP-PNP | | 分子名称: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Putative leucine-rich repeat protein kinase family protein | | 著者 | Counago, R.M, Aquino, B, Massirer, K.B, Gileadi, O, Arruda, P, Structural Genomics Consortium (SGC) | | 登録日 | 2017-02-17 | | 公開日 | 2017-04-26 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Crystal Structure of Maize SIRK1 (sucrose-induced receptor kinase 1) kinase domain bound to AMP-PNP
To Be Published
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5UYJ
 | | Crystal Structure of the Human CAMKK2B | | 分子名称: | 2-cyclopentyl-4-(7-methoxyquinolin-4-yl)benzoic acid, Calcium/calmodulin-dependent protein kinase kinase 2 | | 著者 | Counago, R.M, Drewry, D, Arruda, P, Edwards, A.M, Gileadi, O, Structural Genomics Consortium (SGC) | | 登録日 | 2017-02-24 | | 公開日 | 2017-04-26 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Crystal Structure of the Human CAMKK2B
To Be Published
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6CNX
 | | Crystal Structure of the Human vaccinia-related kinase 1 (VRK1) bound to an N-propynyl-N-isopentyl-dihydropteridin inhibitor | | 分子名称: | (7R)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7-methyl-8-(3-methylbutyl)-5-(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5H)-one, (7S)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7-methyl-8-(3-methylbutyl)-5-(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5H)-one, ACETATE ION, ... | | 著者 | Counago, R.M, dos Reis, C.V, de Souza, G.P, Azevedo, A, Guimaraes, C, Mascarello, A, Gama, F, Ferreira, M, Massirer, K.B, Arruda, P, Edwards, A.M, Elkins, J.M, Structural Genomics Consortium (SGC) | | 登録日 | 2018-03-09 | | 公開日 | 2018-04-04 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Crystal Structure of the Human Vaccinia-Related Kinase 1 (VRK1) bound to a N-propynyl-N-isopentil-dihydropteridine inhibitor
To Be Published
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