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3HA1
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BU of 3ha1 by Molmil
Alanine racemase from Bacillus Anthracis (Ames)
Descriptor: ACETATE ION, Alanine racemase, CHLORIDE ION
Authors:Counago, R.M, Davlieva, M, Strych, U, Hill, R.E, Krause, K.L.
Deposit date:2009-04-30
Release date:2009-09-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Biochemical and structural characterization of alanine racemase from Bacillus anthracis (Ames).
Bmc Struct.Biol., 9, 2009
5I3O
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BU of 5i3o by Molmil
Crystal Structure of BMP-2-inducible kinase in complex with an Indazole inhibitor
Descriptor: BMP-2-inducible protein kinase, N-(6-{3-[(dimethylsulfamoyl)amino]phenyl}-1H-indazol-3-yl)cyclopropanecarboxamide, SULFATE ION
Authors: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)
Deposit date:2016-02-10
Release date:2016-03-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal Structure of BMP-2-inducible kinase in complex with an Indazole inhibitor
To Be Published
5I3R
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BU of 5i3r by Molmil
Crystal Structure of BMP-2-inducible kinase in complex with an Indazole inhibitor
Descriptor: BMP-2-inducible protein kinase, N-[6-(3-{[(cyclopropylmethyl)sulfonyl]amino}phenyl)-1H-indazol-3-yl]cyclopropanecarboxamide, PHOSPHATE ION
Authors: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)
Deposit date:2016-02-10
Release date:2016-03-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal Structure of BMP-2-inducible kinase in complex with an Indazole inhibitor
To Be Published
6NPN
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BU of 6npn by Molmil
Crystal Structure of the Human vaccinia-related kinase bound to a N,N-dipropynyl-dihydropteridine-3-hydroxyindazole inhibitor
Descriptor: (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, ...
Authors: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)
Deposit date:2019-01-18
Release date:2019-02-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal Structure of the Human vaccinia-related kinase bound to a N,N-dipropynyl-dihydropteridine-3-hydroxyindazole inhibitor
To Be Published
5IKW
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BU of 5ikw by Molmil
Crystal Structure of BMP-2-inducible kinase in complex with an Indazole inhibitor
Descriptor: BMP-2-inducible protein kinase, N-(6-{3-[(cyclopropylsulfonyl)amino]phenyl}-1H-indazol-3-yl)cyclopropanecarboxamide
Authors: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)
Deposit date:2016-03-04
Release date:2016-06-29
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Crystal Structure of BMP-2-inducible kinase in complex with a 3-acylaminoindazole inhibitor GSK3236425A
To Be Published
3ZK9
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BU of 3zk9 by Molmil
CRYSTAL STRUCTURE OF PNEUMOCOCCAL SURFACE ANTIGEN PSAA D280N IN THE METAL-FREE, OPEN STATE
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MANGANESE ABC TRANSPORTER SUBSTRATE-BINDING LIPOPROTEIN
Authors:Counago, R.M, Ween, M.P, Bajaj, M, Zuegg, J, Cooper, M.A, McEwan, A.G, Paton, J.C, Kobe, B, McDevitt, C.A.
Deposit date:2013-01-22
Release date:2013-11-06
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Imperfect coordination chemistry facilitates metal ion release in the Psa permease.
Nat. Chem. Biol., 10, 2014
3ZKA
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BU of 3zka by Molmil
CRYSTAL STRUCTURE OF PNEUMOCOCCAL SURFACE ANTIGEN PSAA D280N IN THE METAL-BOUND, OPEN STATE
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MANGANESE (II) ION, MANGANESE ABC TRANSPORTER SUBSTRATE-BINDING LIPOPROTEIN
Authors:Counago, R.M, Ween, M.P, Bajaj, M, Zuegg, J, Cooper, M.A, McEwan, A.G, Paton, J.C, Kobe, B, McDevitt, C.A.
Deposit date:2013-01-22
Release date:2013-11-06
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Imperfect coordination chemistry facilitates metal ion release in the Psa permease.
Nat. Chem. Biol., 10, 2014
3ZK7
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BU of 3zk7 by Molmil
CRYSTAL STRUCTURE OF PNEUMOCOCCAL SURFACE ANTIGEN PSAA IN THE METAL-FREE, OPEN STATE
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MANGANESE ABC TRANSPORTER SUBSTRATE-BINDING LIPOPROTEIN
Authors:Counago, R.M, Ween, M.P, Bajaj, M, Zuegg, J, Cooper, M.A, McEwan, A.G, Paton, J.C, Kobe, B, McDevitt, C.A.
Deposit date:2013-01-22
Release date:2013-11-06
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Imperfect coordination chemistry facilitates metal ion release in the Psa permease.
Nat. Chem. Biol., 10, 2014
3ZK8
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BU of 3zk8 by Molmil
CRYSTAL STRUCTURE OF PNEUMOCOCCAL SURFACE ANTIGEN PSAA E205Q IN THE METAL-FREE, OPEN STATE
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MANGANESE ABC TRANSPORTER SUBSTRATE-BINDING LIPOPROTEIN
Authors:Counago, R.M, Ween, M.P, Bajaj, M, Zuegg, J, Cooper, M.A, McEwan, A.G, Paton, J.C, Kobe, B, McDevitt, C.A.
Deposit date:2013-01-22
Release date:2013-11-06
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Imperfect coordination chemistry facilitates metal ion release in the Psa permease.
Nat. Chem. Biol., 10, 2014
6VXR
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BU of 6vxr by Molmil
Structure of Maternal embryonic leucine zipper kinase bound to LDSM276
Descriptor: (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
Authors:Counago, R.M, Takarada, J.E, dos Reis, C.V, Gama, F.H, Azevedo, H, Mascarello, A, Guimaraes, C.R, Structural Genomics Consortium (SGC)
Deposit date:2020-02-24
Release date:2020-07-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure of Maternal embryonic leucine zipper kinase bound to LDSM276
To Be Published
4P5I
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BU of 4p5i by Molmil
Crystal structure of the chemokine binding protein from orf virus
Descriptor: 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
Authors:Counago, R.M, Krause, K.L.
Deposit date:2014-03-17
Release date:2015-07-15
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structures of Orf Virus Chemokine Binding Protein in Complex with Host Chemokines Reveal Clues to Broad Binding Specificity.
Structure, 23, 2015
5D8C
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BU of 5d8c by Molmil
Crystal structure of HiNmlR, a MerR family regulator lacking the sensor domain, bound to promoter DNA
Descriptor: 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
Authors:Counago, R.M, Chang, C.W, Chen, N.H, Djoko, K.Y, McEwan, A.G, Kobe, B.
Deposit date:2015-08-17
Release date:2016-06-29
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.25 Å)
Cite: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
5E01
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BU of 5e01 by Molmil
Crystal structure of HiNmlR, a MerR family regulator lacking the sensor domain, bound to palyndromic promoter DNA
Descriptor: 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
Authors:Counago, R.M, Chang, C.W, Chen, N.H, Djoko, K.Y, McEwan, A.G, Kobe, B.
Deposit date:2015-09-26
Release date:2016-06-29
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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
5D90
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BU of 5d90 by Molmil
Crystal structure of HiNmlR, a MerR family regulator lacking the sensor domain, bound to promoter DNA
Descriptor: MerR family regulator protein
Authors:Counago, R.M, Chang, C.W, Kobe, B.
Deposit date:2015-08-18
Release date:2016-06-29
Last modified:2016-08-31
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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
5TE0
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BU of 5te0 by Molmil
Crystal Structure of Adaptor Protein 2 Associated Kinase (AAK1) in complex with BIBF 1120
Descriptor: AP2-associated protein kinase 1, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Counago, R.M, Elkins, J.M, Bountra, C, Arruda, P, Edwards, A.M, Gileadi, O, Structural Genomics Consortium (SGC)
Deposit date:2016-09-20
Release date:2016-11-02
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structure of Adaptor Protein 2 Associated Kinase (AAK1) in complex with BIBF 1120
To Be Published
5UKF
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BU of 5ukf by Molmil
Crystal Structure of the Human Vaccinia-related Kinase 1 Bound to an Oxindole Inhibitor
Descriptor: 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, ...
Authors:Counago, R.M, Wells, C, Zuercher, W, Willson, T.M, Bountra, C, Edwards, A.M, Arruda, P, Gileadi, O, Structural Genomics Consortium (SGC)
Deposit date:2017-01-22
Release date:2017-03-29
Last modified:2023-10-04
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
5UVF
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BU of 5uvf by Molmil
Crystal Structure of the Human vaccinia-related kinase bound to BI-D1870
Descriptor: (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, ...
Authors:Counago, R.M, Bountra, C, Arruda, P, Edwards, A.M, Gileadi, O, Structural Genomics Consortium (SGC)
Deposit date:2017-02-20
Release date:2017-03-22
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural characterization of human Vaccinia-Related Kinases (VRK) bound to small-molecule inhibitors identifies different P-loop conformations.
Sci Rep, 7, 2017
5UYJ
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BU of 5uyj by Molmil
Crystal Structure of the Human CAMKK2B
Descriptor: 2-cyclopentyl-4-(7-methoxyquinolin-4-yl)benzoic acid, Calcium/calmodulin-dependent protein kinase kinase 2
Authors:Counago, R.M, Drewry, D, Arruda, P, Edwards, A.M, Gileadi, O, Structural Genomics Consortium (SGC)
Deposit date:2017-02-24
Release date:2017-04-26
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal Structure of the Human CAMKK2B
To Be Published
5UY6
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BU of 5uy6 by Molmil
Crystal Structure of the Human CAMKK2B
Descriptor: 2-cyclopentyl-4-(5-phenylfuro[2,3-b]pyridin-3-yl)benzoic acid, Calcium/calmodulin-dependent protein kinase kinase 2
Authors:Counago, R.M, Dewry, D, Bountra, C, Arruda, P, Edwards, A.M, Gileadi, O, Structural Genomics Consortium (SGC)
Deposit date:2017-02-23
Release date:2017-03-29
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal Structure of the Human CAMKK2B
To Be Published
5UU1
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BU of 5uu1 by Molmil
Crystal Structure of Human Vaccinia-related kinase 2 (VRK-2) bound to BI-D1870
Descriptor: (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
Authors:Counago, R.M, Bountra, C, Arruda, P, Edwards, A.M, Gileadi, O, Structural Genomics Consortium (SGC)
Deposit date:2017-02-15
Release date:2017-03-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural characterization of human Vaccinia-Related Kinases (VRK) bound to small-molecule inhibitors identifies different P-loop conformations.
Sci Rep, 7, 2017
6BQP
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BU of 6bqp by Molmil
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
6BU6
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BU of 6bu6 by Molmil
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
6BP0
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BU of 6bp0 by Molmil
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
6BLE
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BU of 6ble by Molmil
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
6BRC
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BU of 6brc by Molmil
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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