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6CQH
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BU of 6cqh by Molmil
Crystal Structure of the Human vaccinia-related kinase bound to a N-propynyl-N-ethyl-dihydropteridine inhibitor
Descriptor: (7R)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-8-ethyl-7-methyl-5-(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5H)-one, ACETATE ION, CHLORIDE ION, ...
Authors:dos Reis, C.V, de Souza, G.P, Counago, R.M, 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)
Deposit date:2018-03-15
Release date:2018-03-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Crystal Structure of the Human vaccinia-related kinase bound to a N-propynyl-N-ethyl-dihydropteridine inhibitor
To Be Published
6CPY
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BU of 6cpy by Molmil
Structure of apo GRMZM2G135359 pseudokinase
Descriptor: GRMZM2G135359 pseudokinase
Authors:Aquino, B, Counago, R.M, Godoi, P.H.C, Massirer, K.B, Elkins, J.M, Arruda, P, Structural Genomics Consortium (SGC)
Deposit date:2018-03-14
Release date:2018-04-04
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure of apo GRMZM2G135359 pseudokinase
To be Published
6CSW
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BU of 6csw by Molmil
Crystal Structure of the Human vaccinia-related kinase bound to a N-methyl-N-propyl-dihydropteridine inhibitor
Descriptor: (7R)-5-butyl-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7,8-dimethyl-7,8-dihydropteridin-6(5H)-one, ACETATE ION, CHLORIDE ION, ...
Authors:dos Reis, C.V, de Souza, G.P, Counago, R.M, Chiodi, C.G, 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)
Deposit date:2018-03-21
Release date:2018-04-04
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Crystal Structure of the Human vaccinia-related kinase bound to a N-methyl-N-propyl-dihydropteridine inhibitor
To Be Published
6DD4
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BU of 6dd4 by Molmil
Crystal Structure of the Human vaccinia-related kinase bound to a N,N-dipropyl-dihydropteridine inhibitor
Descriptor: (7R)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7-methyl-5,8-dipropyl-7,8-dihydropteridin-6(5H)-one, ACETATE ION, CHLORIDE ION, ...
Authors:dos Reis, C.V, Santiago, A.S, de Souza, G.P, Counago, R.M, 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)
Deposit date:2018-05-09
Release date:2018-05-23
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structure of the Human vaccinia-related kinase bound to a N,N-dipropyl-dihydropteridine inhibitor
To Be Published
6EAS
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BU of 6eas by Molmil
Co-crystal of pseudokinase DRIK1 (drought responsive inactive kinase 1) bound to ENMD-2076
Descriptor: 6-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[(E)-2-phenylethenyl]pyrimidin-4-amine, GLYCEROL, drought responsive inactive kinase 1
Authors:Aquino, B, Counago, R.M, Fala, A.M, Massirer, K.B, Elkins, J.M, Arruda, P, Structural Genomics Consortium (SGC)
Deposit date:2018-08-03
Release date:2018-08-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:Co-crystal of pseudokinase DRIK1 with ENMD-2076
To be Published
3ZIQ
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BU of 3ziq by Molmil
minor-site specific NLS (B6)
Descriptor: B6NLS, IMPORTIN SUBUNIT ALPHA-2
Authors:Chang, C.-W, Counago, R.M, Williams, S.J, Kobe, B.
Deposit date:2013-01-10
Release date:2013-08-21
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Distinctive Conformation of Minor Site-Specific Nuclear Localization Signals Bound to Importin-Alpha
Traffic, 14, 2013
3ZIP
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BU of 3zip by Molmil
minor-site specific NLS (A58)
Descriptor: A58NLS, IMPORTIN SUBUNIT ALPHA-2
Authors:Chang, C.-W, Counago, R.M, Williams, S.J, Kobe, B.
Deposit date:2013-01-10
Release date:2013-08-21
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Distinctive Conformation of Minor Site-Specific Nuclear Localization Signals Bound to Importin-Alpha
Traffic, 14, 2013
3ZIR
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BU of 3zir by Molmil
minor-site specific NLS (B141)
Descriptor: B141NLS, IMPORTIN SUBUNIT ALPHA-2
Authors:Chang, C.-W, Counago, R.M, Williams, S.J, Kobe, B.
Deposit date:2013-01-10
Release date:2013-08-21
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Distinctive Conformation of Minor Site-Specific Nuclear Localization Signals Bound to Importin-Alpha
Traffic, 14, 2013
3ZIO
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BU of 3zio by Molmil
minor-site specific NLS (A28)
Descriptor: A28NLS, IMPORTIN SUBUNIT ALPHA-2
Authors:Chang, C.-W, Counago, R.M, Williams, S.J, Kobe, B.
Deposit date:2013-01-10
Release date:2013-08-21
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Distinctive Conformation of Minor Site-Specific Nuclear Localization Signals Bound to Importin-Alpha
Traffic, 14, 2013
3ZIN
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BU of 3zin by Molmil
Gu_alpha_helicase
Descriptor: IMPORTIN SUBUNIT ALPHA-2, NUCLEOLAR RNA HELICASE 2
Authors:Chang, C.-W, Counago, R.M, Williams, S.J, Kobe, B.
Deposit date:2013-01-10
Release date:2013-08-21
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Distinctive Conformation of Minor Site-Specific Nuclear Localization Signals Bound to Importin-Alpha
Traffic, 14, 2013
4BQK
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BU of 4bqk by Molmil
rice importin_alpha : VirD2NLS complex
Descriptor: DI(HYDROXYETHYL)ETHER, IMPORTIN SUBUNIT ALPHA-1A, T-DNA BORDER ENDONUCLEASE VIRD2
Authors:Chang, C.-W, Counago, R.M, Williams, S.J, Kobe, B.
Deposit date:2013-05-31
Release date:2014-02-19
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.997 Å)
Cite:Structural Basis of Interaction of Bipartite Nuclear Localization Signal from Agrobacterium Vird2 with Rice Importin-Alpha
Mol.Plant, 7, 2014
4BPL
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BU of 4bpl by Molmil
rice importin_alpha in complex with nucleoplasmin NLS
Descriptor: IMPORTIN SUBUNIT ALPHA-1A, NUCLEOPLASMIN NLS
Authors:Chang, C.-W, Counago, R.M, Williams, S.J, Kobe, B.
Deposit date:2013-05-27
Release date:2014-02-19
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural Basis of Interaction of Bipartite Nuclear Localization Signal from Agrobacterium Vird2 with Rice Importin-Alpha
Mol.Plant, 7, 2014
6CD6
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BU of 6cd6 by Molmil
Crystal Structure of the Human CAMKK1A in complex with GSK650394
Descriptor: 2-cyclopentyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid, CHLORIDE ION, Calcium/calmodulin-dependent protein kinase kinase 1
Authors:Santiago, A.S, Counago, R.M, Righetto, G.L, Ramos, P.Z, Silva, P.N.B, Drewry, D, Elkins, J.M, Massirer, K.B, Arruda, P, Edwards, A.M, Structural Genomics Consortium (SGC)
Deposit date:2018-02-08
Release date:2018-03-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal Structure of the Human CAMKK1A in complex with GSK650394
To be Published
6CTH
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BU of 6cth by Molmil
Crystal Structure of Pathogenesis-related Protein 1G (PR-1G) Kinase Domain from Cacao
Descriptor: ACETATE ION, Concanavalin A-like lectin protein kinase family protein, MAGNESIUM ION, ...
Authors:Tosarini, T.R, Profeta, G.S, dos Reis, C.V, Counago, R.M, Massirer, K.B, Edwards, A.M, Elkins, J.M, Structural Genomics Consortium (SGC)
Deposit date:2018-03-23
Release date:2018-04-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal Structure of Pathogenesis-related Protein 1G (PR-1G) Kinase Domain from Cacao
To Be Published
6CCF
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BU of 6ccf by Molmil
Crystal Structure of the Human CAMKK1A in complex with Hesperadin
Descriptor: 1,2-ETHANEDIOL, Calcium/calmodulin-dependent protein kinase kinase 1, N-[2-OXO-3-((E)-PHENYL{[4-(PIPERIDIN-1-YLMETHYL)PHENYL]IMINO}METHYL)-2,6-DIHYDRO-1H-INDOL-5-YL]ETHANESULFONAMIDE, ...
Authors:Santiago, A.S, Counago, R.M, dos Reis, C.V, Ramos, P.Z, Silva, P.N.B, Drewry, D, Elkins, J.M, Massirer, K.B, Arruda, P, Edwards, A.M, Structural Genomics Consortium (SGC)
Deposit date:2018-02-07
Release date:2018-03-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structure of the Human CAMKK1A in complex with Hesperadin
To be Published
7S6V
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BU of 7s6v by Molmil
Leishmania infantum Glycogen Synthase Kinase 3 beta bound to CGP60474
Descriptor: 1,2-ETHANEDIOL, 3-({4-[2-(3-chloroanilino)pyrimidin-4-yl]pyridin-2-yl}amino)propan-1-ol, Glycogen synthase kinase 3, ...
Authors:dos Reis, C.V, Ramos, P.Z, Counago, R.M.
Deposit date:2021-09-15
Release date:2022-11-09
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Leishmania infantum Glycogen Synthase Kinase 3 beta bound to CGP60474
To Be Published
7S6U
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BU of 7s6u by Molmil
Leishmania infantum Glycogen Synthase Kinase 3 beta bound to AZD5438
Descriptor: 1,2-ETHANEDIOL, 4-(2-methyl-3-propan-2-yl-imidazol-4-yl)-~{N}-(4-methylsulfonylphenyl)pyrimidin-2-amine, CACODYLATE ION, ...
Authors:dos Reis, C.V, Ramos, P.Z, Counago, R.M.
Deposit date:2021-09-15
Release date:2022-11-09
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Leishmania infantum Glycogen Synthase Kinase 3 beta bound to AZD5438
To Be Published
7LQD
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BU of 7lqd by Molmil
Structure of Human MPS1 (TTK) covalently bound to RMS-07 inhibitor
Descriptor: 2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXYL, Dual specificity protein kinase TTK or monopolar spindle 1 kinase, GLYCEROL, ...
Authors:Santiago, A.S, dos Reis, C.V, Serafim, R.A.M, Massirer, K.B, Arruda, P, Edwards, A.M, Counago, R.M, Structural Genomics Consortium (SGC)
Deposit date:2021-02-13
Release date:2022-02-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Development of the First Covalent Monopolar Spindle Kinase 1 (MPS1/TTK) Inhibitor.
J.Med.Chem., 65, 2022
3OP5
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BU of 3op5 by Molmil
Human vaccinia-related kinase 1
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, Serine/threonine-protein kinase VRK1, ...
Authors:Allerston, C.K, Uttarkar, S, Savitsky, P, Elkins, J.M, Filippakopoulos, P, Krojer, T, Rellos, P, Fedorov, O, Eswaran, J, Brenner, B, Keates, T, Das, S, King, O, Chalk, R, Berridge, G, von Delft, F, Gileadi, O, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2010-08-31
Release date:2010-09-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural characterization of human Vaccinia-Related Kinases (VRK) bound to small-molecule inhibitors identifies different P-loop conformations.
Sci Rep, 7, 2017
4ZK9
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BU of 4zk9 by Molmil
The chemokine binding protein of orf virus complexed with CCL2
Descriptor: C-C motif chemokine 2, Chemokine binding protein, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Knapp, K.M, Nakatani, Y, Krause, K.L.
Deposit date:2015-04-30
Release date:2015-07-08
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structures of Orf Virus Chemokine Binding Protein in Complex with Host Chemokines Reveal Clues to Broad Binding Specificity.
Structure, 23, 2015
4ZKB
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BU of 4zkb by Molmil
The chemokine binding protein of orf virus complexed with CCL3
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, C-C motif chemokine 3, Chemokine binding protein, ...
Authors:Knapp, K.M, Nakatani, Y, Krause, K.L.
Deposit date:2015-04-30
Release date:2015-07-08
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structures of Orf Virus Chemokine Binding Protein in Complex with Host Chemokines Reveal Clues to Broad Binding Specificity.
Structure, 23, 2015
4ZKC
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BU of 4zkc by Molmil
The chemokine binding protein of orf virus complexed with CCL7
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, C-C motif chemokine 7, Chemokine binding protein, ...
Authors:Knapp, K.M, Nakatani, Y, Krause, K.L.
Deposit date:2015-04-30
Release date:2015-07-08
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Structures of Orf Virus Chemokine Binding Protein in Complex with Host Chemokines Reveal Clues to Broad Binding Specificity.
Structure, 23, 2015
7NAA
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BU of 7naa by Molmil
Crystal structure of Mycobacterium tuberculosis H37Rv PknF kinase domain
Descriptor: (4-{[4-(1-benzothiophen-2-yl)pyrimidin-2-yl]amino}phenyl)[4-(pyrrolidin-1-yl)piperidin-1-yl]methanone, Non-specific serine/threonine protein kinase
Authors:Oliveira, A.A, Cabarca, S, dos Reis, C.V, Takarada, J.E, Counago, R.M, Balan, A, Structural Genomics Consortium (SGC)
Deposit date:2021-06-21
Release date:2021-08-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Structure of the Mycobacterium tuberculosis c PknF and conformational changes induced in forkhead-associated regulatory domains.
Curr Res Struct Biol, 3, 2021
6CNH
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BU of 6cnh by Molmil
Human PRPF4B in complex with Rebastinib
Descriptor: 4-[4-({[3-tert-butyl-1-(quinolin-6-yl)-1H-pyrazol-5-yl]carbamoyl}amino)-3-fluorophenoxy]-N-methylpyridine-2-carboxamide, SULFATE ION, Serine/threonine-protein kinase PRP4 homolog
Authors:Godoi, P.H.C, Santiago, A.S, Ramos, P.Z, Fala, A.M, Salmazo, A.P.T, Counago, R.M, Righetto, G.L, Silva, P.N.B, Gileadi, O, Guimaraes, C.R.W, Massirer, K.B, Arruda, P, Elkins, J.M, Edwards, A.M, Structural Genomics Consortium (SGC)
Deposit date:2018-03-08
Release date:2018-03-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of the human PRPF4B in complex with Rebastinib
To be Published
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