6BP0
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![BU of 6bp0 by Molmil](/molmil-images/mine/6bp0) | Crystal Structure of the Human vaccinia-related kinase 1 bound to (R)-2-phenylaminopteridinone inhibitor | Descriptor: | (7R)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7,8-trimethyl-7,8-dihydropteridin-6(5H)-one, 1,2-ETHANEDIOL, CHLORIDE ION, ... | Authors: | 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, Structural Genomics Consortium (SGC) | Deposit date: | 2017-11-21 | Release date: | 2017-12-06 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal Structure of the Human vaccinia-related kinase 1 bound to (R)-2-phenylaminopteridinone inhibitor To Be Published
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6BRC
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![BU of 6brc by Molmil](/molmil-images/mine/6brc) | Crystal Structure of the Human CAMKK2B in complex with AP26113-analog (ALK-IN-1) | Descriptor: | 5-chloro-N~2~-{4-[4-(dimethylamino)piperidin-1-yl]-2-methoxyphenyl}-N~4~-[2-(dimethylphosphoryl)phenyl]pyrimidine-2,4-diamine, Calcium/calmodulin-dependent protein kinase kinase 2, SODIUM ION | Authors: | Counago, R.M, dos Reis, C.V, de Souza, G.P, Ramos, P.Z, Drewry, D, Massirer, K.B, Arruda, P, Edwards, A.M, Elkins, J.M, Structural Genomics Consortium (SGC) | Deposit date: | 2017-11-30 | Release date: | 2017-12-13 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal Structure of the Human CAMKK2B in complex with AP26113-analog (ALK-IN-1) To Be Published
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6BRU
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![BU of 6bru by Molmil](/molmil-images/mine/6bru) | Crystal Structure of the Human vaccinia-related kinase bound to a (S)-2-phenylaminopteridinone inhibitor | Descriptor: | (7S)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7,8-trimethyl-7,8-dihydropteridin-6(5H)-one, 1,2-ETHANEDIOL, SULFATE ION, ... | Authors: | Counago, R.M, dos Reis, C.V, de Souza, G.P, Aquino, B, 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: | 2017-12-01 | Release date: | 2017-12-13 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal Structure of the Human vaccinia-related kinase bound to a (S)-2-phenylaminopteridinone inhibitor To Be Published
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6BKU
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![BU of 6bku by Molmil](/molmil-images/mine/6bku) | Crystal Structure of the Human CAMKK2B bound to GSK650394 | Descriptor: | 2-cyclopentyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid, Calcium/calmodulin-dependent protein kinase kinase 2, FORMIC ACID | Authors: | Counago, R.M, dos Reis, C.V, de Souza, G.P, Ramos, P.Z, Drewry, D, Massirer, K.B, Arruda, P, Edwards, A.M, Elkins, J.M, Structural Genomics Consortium (SGC) | Deposit date: | 2017-11-09 | Release date: | 2017-11-29 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structure of the Human CAMKK2B bound to GSK650394 To Be Published
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6CFM
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![BU of 6cfm by Molmil](/molmil-images/mine/6cfm) | Crystal Structure of the Human vaccinia-related kinase bound to a propynyl-pteridinone inhibitor | Descriptor: | (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, ... | Authors: | 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) | Deposit date: | 2018-02-15 | Release date: | 2018-03-07 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Crystal Structure of the Human vaccinia-related kinase bound to a propynyl-pteridinone inhibitor To Be Published
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6CNX
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![BU of 6cnx by Molmil](/molmil-images/mine/6cnx) | Crystal Structure of the Human vaccinia-related kinase 1 (VRK1) bound to an N-propynyl-N-isopentyl-dihydropteridin inhibitor | Descriptor: | (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, ... | Authors: | 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) | Deposit date: | 2018-03-09 | Release date: | 2018-04-04 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | 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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6BTW
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![BU of 6btw by Molmil](/molmil-images/mine/6btw) | Crystal Structure of the Human vaccinia-related kinase bound to a phenyl-pteridinone inhibitor | Descriptor: | 2-[(3,5-difluoro-4-hydroxyphenyl)amino]-8-phenyl-7,8-dihydropteridin-6(5H)-one, CHLORIDE ION, GLYCEROL, ... | Authors: | 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) | Deposit date: | 2017-12-07 | Release date: | 2017-12-20 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal Structure of the Human vaccinia-related kinase bound to a phenyl-pteridinone inhibitor To Be Published
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6BQQ
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![BU of 6bqq by Molmil](/molmil-images/mine/6bqq) | Crystal Structure of the Human CAMKK2B in complex with BI2526 | Descriptor: | 4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide, ACETATE ION, Calcium/calmodulin-dependent protein kinase kinase 2 | Authors: | Counago, R.M, de Souza, G.P, dos Reis, C.V, Ramos, P.Z, Drewry, D, Massirer, K.B, Arruda, P, Edwards, A.M, Elkins, J.M, Structural Genomics Consortium (SGC) | Deposit date: | 2017-11-28 | Release date: | 2017-12-13 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal Structure of the Human CAMKK2B in complex with BI2526 To Be Published
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6BQL
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![BU of 6bql by Molmil](/molmil-images/mine/6bql) | Crystal Structure of the Human CAMKK2B in complex with TAE-226 | Descriptor: | 1,2-ETHANEDIOL, 2-({5-CHLORO-2-[(2-METHOXY-4-MORPHOLIN-4-YLPHENYL)AMINO]PYRIMIDIN-4-YL}AMINO)-N-METHYLBENZAMIDE, ACETATE ION, ... | Authors: | Counago, R.M, de Souza, G.P, dos Reis, C.V, Ramos, P.Z, Drewry, D, Massirer, K.B, Arruda, P, Edwards, A.M, Elkins, J.M, Structural Genomics Consortium (SGC) | Deposit date: | 2017-11-28 | Release date: | 2017-12-13 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structure of the Human CAMKK2B in complex with TAE-226 To Be Published
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6BLE
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![BU of 6ble by Molmil](/molmil-images/mine/6ble) | Crystal Structure of the Human CAMKK2B in complex with CP673451 | Descriptor: | 1-{2-[5-(2-methoxyethoxy)-1H-benzimidazol-1-yl]quinolin-8-yl}piperidin-4-amine, Calcium/calmodulin-dependent protein kinase kinase 2, GLYCEROL | Authors: | Counago, R.M, dos Reis, C.V, de Souza, G.P, Ramos, P.Z, Drewry, D, Massirer, K.B, Arruda, P, Edwards, A.M, Elkins, J.M, Structural Genomics Consortium (SGC) | Deposit date: | 2017-11-10 | Release date: | 2017-11-29 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal Structure of the Human CAMKK2B in complex with CP673451 To Be Published
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6EAS
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![BU of 6eas by Molmil](/molmil-images/mine/6eas) | 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
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7S6V
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![BU of 7s6v by Molmil](/molmil-images/mine/7s6v) | |
7S6U
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![BU of 7s6u by Molmil](/molmil-images/mine/7s6u) | |
4UTO
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![BU of 4uto by Molmil](/molmil-images/mine/4uto) | Crystal structure of pneumococcal surface antigen PsaA D280N in the Cd-bound, open state | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CADMIUM ION, MANGANESE ABC TRANSPORTER SUBSTRATE-BINDING LIPOPROTEIN | Authors: | Luo, Z, Counago, R.M, Maher, M, Kobe, B. | Deposit date: | 2014-07-22 | Release date: | 2015-03-11 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Dysregulation of transition metal ion homeostasis is the molecular basis for cadmium toxicity in Streptococcus pneumoniae. Nat Commun, 6, 2015
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4UTP
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![BU of 4utp by Molmil](/molmil-images/mine/4utp) | Crystal structure of pneumococcal surface antigen PsaA in the Cd- bound, closed state | Descriptor: | CADMIUM ION, MANGANESE ABC TRANSPORTER SUBSTRATE-BINDING LIPOPROTEIN | Authors: | Luo, Z, Counago, R.M, Maher, M, Kobe, B. | Deposit date: | 2014-07-22 | Release date: | 2014-08-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Dysregulation of transition metal ion homeostasis is the molecular basis for cadmium toxicity in Streptococcus pneumoniae. Nat Commun, 6, 2015
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6NCG
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![BU of 6ncg by Molmil](/molmil-images/mine/6ncg) | Crystal Structure of Human Vaccinia-related kinase 2 (VRK-2) bound to pyridin-benzenesulfonamide inhibitor | Descriptor: | 4-[6-amino-5-(3,5-difluoro-4-hydroxyphenyl)pyridin-3-yl]benzene-1-sulfonamide, SULFATE ION, Serine/threonine-protein kinase VRK2 | Authors: | dos Reis, C.V, Chiodi, C.G, de Souza, G.P, Guimaraes, C, Mascarello, A, Gama, F, Ferreira, M, Counago, R.M, Massirer, K.B, Elkins, J.M, Arruda, P, Edwards, A.M, Structural Genomics Consortium (SGC) | Deposit date: | 2018-12-11 | Release date: | 2019-01-16 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Crystal Structure of Human Vaccinia-related kinase 2 (VRK-2) bound to pyridin-benzenesulfonamide inhibitor To Be Published
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7LQD
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![BU of 7lqd by Molmil](/molmil-images/mine/7lqd) | 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
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6PCW
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![BU of 6pcw by Molmil](/molmil-images/mine/6pcw) | Human PIM1 bound to benzothiophene inhibitor 213 | Descriptor: | 4-[5-(cyclopropylcarbamoyl)thiophen-2-yl]-1-benzothiophene-2-carboxamide, GLYCEROL, Peptide, ... | Authors: | Godoi, P.H.C, Santiago, A.S, Fala, A.M, Ramos, P.Z, Sriranganadane, D, Mascarello, A, Segretti, N, Azevedo, H, Guimaraes, C.R.W, Arruda, P, Elkins, J.M, Counago, R.M, Structural Genomics Consortium (SGC) | Deposit date: | 2019-06-18 | Release date: | 2019-07-24 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | PIM1 bound to benzothiophene inhibitor To Be Published
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6PK6
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![BU of 6pk6 by Molmil](/molmil-images/mine/6pk6) | Human PRPF4B bound to benzothiophene inhibitor 329 | Descriptor: | 4-(5-{[(2-aminophenyl)methyl]carbamoyl}thiophen-2-yl)-1-benzothiophene-2-carboxamide, SULFATE ION, Serine/threonine-protein kinase PRP4 homolog | Authors: | Godoi, P.H.C, Santiago, A.S, Fala, A.M, Ramos, P.Z, Sriranganadane, D, Mascarello, A, Segretti, N, Azevedo, H, Guimaraes, C.R.W, Arruda, P, Elkins, J.M, Counago, R.M, Structural Genomics Consortium (SGC) | Deposit date: | 2019-06-28 | Release date: | 2019-08-28 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | to be published To Be Published
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6PDN
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![BU of 6pdn by Molmil](/molmil-images/mine/6pdn) | Human PIM1 bound to benzothiophene inhibitor 292 | Descriptor: | 4-{5-[(3-aminopropyl)carbamoyl]thiophen-2-yl}-1-benzothiophene-2-carboxylic acid, GLYCEROL, Serine/threonine-protein kinase pim-1, ... | Authors: | Godoi, P.H.C, Santiago, A.S, Fala, A.M, Ramos, P.Z, Sriranganadane, D, Mascarello, A, Segretti, N, Azevedo, H, Guimaraes, C.R.W, Arruda, P, Elkins, J.M, Counago, R.M, Structural Genomics Consortium (SGC) | Deposit date: | 2019-06-19 | Release date: | 2019-07-24 | Last modified: | 2020-01-01 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Human PIM1 To Be Published
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6PDO
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![BU of 6pdo by Molmil](/molmil-images/mine/6pdo) | Human PIM1 bound to benzothiophene inhibitor 354 | Descriptor: | 4-{5-[(3-aminopropyl)carbamoyl]thiophen-2-yl}-1-benzothiophene-2-carboxamide, Peptide, Serine/threonine-protein kinase pim-1 | Authors: | Godoi, P.H.C, Santiago, A.S, Fala, A.M, Ramos, P.Z, Sriranganadane, D, Mascarello, A, Segretti, N, Azevedo, H, Guimaraes, C.R.W, Arruda, P, Elkins, J.M, Counago, R.M, Structural Genomics Consortium (SGC) | Deposit date: | 2019-06-19 | Release date: | 2019-07-24 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Human PIM1 To Be Published
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6PJJ
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![BU of 6pjj by Molmil](/molmil-images/mine/6pjj) | Human PRPF4B bound to benzothiophene inhibitor 224 | Descriptor: | 1,2-ETHANEDIOL, 4-(5-{[(3-aminophenyl)methyl]carbamoyl}thiophen-2-yl)-1-benzothiophene-2-carboxamide, PHOSPHATE ION, ... | Authors: | Godoi, P.H.C, Santiago, A.S, Fala, A.M, Ramos, P.Z, Sriranganadane, D, Mascarello, A, Segretti, N, Azevedo, H, Guimaraes, C.R.W, Arruda, P, Elkins, J.M, Counago, R.M, Structural Genomics Consortium (SGC) | Deposit date: | 2019-06-28 | Release date: | 2019-08-28 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | to be published To Be Published
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6PDI
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![BU of 6pdi by Molmil](/molmil-images/mine/6pdi) | Human PIM1 bound to benzothiophene inhibitor 224 | Descriptor: | 1,2-ETHANEDIOL, 4-(5-{[(3-aminophenyl)methyl]carbamoyl}thiophen-2-yl)-1-benzothiophene-2-carboxamide, GLYCEROL, ... | Authors: | Godoi, P.H.C, Fala, A.M, Santiago, A.S, Ramos, P.Z, Sriranganadane, D, Mascarello, A, Segretti, N, Azevedo, H, Guimaraes, C.R.W, Arruda, P, Elkins, J.M, Counago, R.M, Structural Genomics Consortium (SGC) | Deposit date: | 2019-06-19 | Release date: | 2019-07-24 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Human PIM1 To Be Published
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6PDP
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![BU of 6pdp by Molmil](/molmil-images/mine/6pdp) | Human PIM1 bound to benzothiophene inhibitor 379 | Descriptor: | 5-[2-(acetylamino)-1-benzothiophen-4-yl]-N-cyclopropylthiophene-2-carboxamide, Peptide, SULFATE ION, ... | Authors: | Godoi, P.H.C, Sriranganadane, D, Santiago, A.S, Fala, A.M, Ramos, P.Z, Mascarello, A, Segretti, N, Azevedo, H, Guimaraes, C.R.W, Arruda, P, Elkins, J.M, Counago, R.M, Structural Genomics Consortium (SGC) | Deposit date: | 2019-06-19 | Release date: | 2019-07-24 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Human PIM1 To Be Published
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6VZH
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![BU of 6vzh by Molmil](/molmil-images/mine/6vzh) | Structure of Human Vaccinia-related Kinase 1 (VRK1) Bound to LDSM311 | Descriptor: | (7~{R})-2-[[3,5-bis(fluoranyl)-4-oxidanyl-phenyl]amino]-5,7-dimethyl-8-prop-2-ynyl-7~{H}-pteridin-6-one, 1,2-ETHANEDIOL, SULFATE ION, ... | Authors: | dos Reis, C.V, Dutra, L.A, Gama, F, Ferreira, M, Mascarello, A, Azevedo, H, Guimaraes, C, Massirer, K.B, Arruda, P, Edwards, A.M, Counago, R.M, Structural Genomics Consortium (SGC) | Deposit date: | 2020-02-28 | Release date: | 2020-03-11 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Structure of Human Vaccinia-related Kinase 1 (VRK1) Bound to LDSM311 To be Published
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