6BQP
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![BU of 6bqp by Molmil](/molmil-images/mine/6bqp) | Crystal Structure of the Human CAMKK2B in complex with Crenolanib | Descriptor: | 1,2-ETHANEDIOL, 1-(2-{5-[(3-Methyloxetan-3-yl)methoxy]-1H-benzimidazol-1-yl}quinolin-8-yl)piperidin-4-amine, 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 (1.95 Å) | Cite: | Crystal Structure of the Human CAMKK2B in complex with Crenolanib 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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6BU6
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![BU of 6bu6 by Molmil](/molmil-images/mine/6bu6) | Crystal Structure of the Human vaccinia-related kinase bound to a bis-difluorophenol-aminopyridine inhibitor | Descriptor: | 4,4'-(2-aminopyridine-3,5-diyl)bis(2,6-difluorophenol), CHLORIDE ION, GLYCEROL, ... | Authors: | Counago, R.M, dos Reis, C.V, de Souza, G.P, Santiago, A.S, 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: | 2017-12-08 | Release date: | 2017-12-20 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal Structure of the Human vaccinia-related kinase bound to a bis-difluorophenol-aminopyridine inhibitor To Be Published
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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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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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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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5VT1
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![BU of 5vt1 by Molmil](/molmil-images/mine/5vt1) | Crystal Structure of the Human CAMKK2B bound to a thiadiazinone benzamide inhibitor | Descriptor: | 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 | Authors: | Counago, R.M, Asquith, C.R.M, Arruda, P, Edwards, A.M, Gileadi, O, Kalogirou, A.S, Koutentis, P.A, Structural Genomics Consortium (SGC) | Deposit date: | 2017-05-15 | Release date: | 2017-05-24 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | 1,2,6-Thiadiazinones as Novel Narrow Spectrum Calcium/Calmodulin-Dependent Protein Kinase Kinase 2 (CaMKK2) Inhibitors. Molecules, 23, 2018
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4B6G
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![BU of 4b6g by Molmil](/molmil-images/mine/4b6g) | The Crystal Structure of the Neisserial Esterase D. | Descriptor: | PUTATIVE ESTERASE | Authors: | Counago, R.M, Kobe, B. | Deposit date: | 2012-08-13 | Release date: | 2012-11-14 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | A glutathione-dependent detoxification system is required for formaldehyde resistance and optimal survival of Neisseria meningitidis in biofilms. Antioxid. Redox Signal., 18, 2013
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5UV4
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![BU of 5uv4 by Molmil](/molmil-images/mine/5uv4) | Crystal Structure of Maize SIRK1 (sucrose-induced receptor kinase 1) kinase domain bound to AMP-PNP | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Putative leucine-rich repeat protein kinase family protein | Authors: | Counago, R.M, Aquino, B, Massirer, K.B, Gileadi, O, Arruda, P, Structural Genomics Consortium (SGC) | Deposit date: | 2017-02-17 | Release date: | 2017-04-26 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal Structure of Maize SIRK1 (sucrose-induced receptor kinase 1) kinase domain bound to AMP-PNP 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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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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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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5WAX
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![BU of 5wax by Molmil](/molmil-images/mine/5wax) | Crystal Structure of Sugarcane SAPK10 (serine/threonine-protein kinase 10) | Descriptor: | GLYCEROL, SAPK10 (serine/threonine-protein kinase 10) | Authors: | Righetto, G.L, Counago, R.M, Halabelian, L, Santiago, A.S, Massirer, K.B, Arruda, P, Gileadi, O, Menossi, M, Edwards, A.M, Elkins, J.M, Structural Genomics Consortium (SGC) | Deposit date: | 2017-06-27 | Release date: | 2018-08-15 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structure of Sugarcane SAPK10 (serine/threonine-protein kinase 10) To Be Published
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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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7S6U
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![BU of 7s6u by Molmil](/molmil-images/mine/7s6u) | |
7S6V
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![BU of 7s6v by Molmil](/molmil-images/mine/7s6v) | |
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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3ZIQ
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![BU of 3ziq by Molmil](/molmil-images/mine/3ziq) | 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
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