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PDB: 199 results

6PJJ
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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:2024-10-23
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:to be published
To Be Published
6CMM
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Crystal Structure of the Human vaccinia-related kinase bound to a N,N-dipropynyl-dihydropteridine inhibitor
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, ACETATE ION, DI(HYDROXYETHYL)ETHER, ...
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:2018-03-05
Release date:2018-03-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structure of the Human vaccinia-related kinase bound to a N,N-dipropynyl-dihydropteridine inhibitor
To Be Published
4D0N
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BU of 4d0n by Molmil
AKAP13 (AKAP-Lbc) RhoGEF domain in complex with RhoA
Descriptor: 1,2-ETHANEDIOL, A-KINASE ANCHOR PROTEIN 13, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Abdul Azeez, K.R, Shrestha, L, Krojer, T, Allerston, C, von Delft, F, Bountra, C, Arrowsmith, C, Edwards, A.M, Knapp, S, Klussmann, E, Elkins, J.M.
Deposit date:2014-04-29
Release date:2014-05-21
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The Crystal Structure of the Rhoa : Akap-Lbc Dh-Ph Domain Complex.
Biochem.J., 464, 2014
6PDI
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BU of 6pdi by Molmil
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
6PDP
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BU of 6pdp by Molmil
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
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
4BKJ
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BU of 4bkj by Molmil
Crystal structure of the human DDR1 kinase domain in complex with imatinib
Descriptor: 1,2-ETHANEDIOL, 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, EPITHELIAL DISCOIDIN DOMAIN-CONTAINING RECEPTOR 1
Authors:Canning, P, Elkins, J.M, Goubin, S, Mahajan, P, Krojer, T, Vollmar, M, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.
Deposit date:2013-04-25
Release date:2013-05-22
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural Mechanisms Determining Inhibition of the Collagen Receptor Ddr1 by Selective and Multi-Targeted Type II Kinase Inhibitors
J.Mol.Biol., 426, 2014
6BTW
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BU of 6btw by Molmil
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
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
6CNX
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BU of 6cnx by Molmil
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
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
6QXK
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BU of 6qxk by Molmil
Human PIM1 bound to OX0999
Descriptor: 2-[(1-methylpiperidin-4-yl)methylamino]-5-[[2-[4-(trifluoromethyloxy)phenyl]-1,3-thiazol-4-yl]methyl]-1,3-thiazol-4-one, Pimtide, Serine/threonine-protein kinase pim-1
Authors:Alexander, L.T, Elkins, J.M, Russell, A, Bountra, C, Edwards, A.M, Knapp, S.
Deposit date:2019-03-07
Release date:2019-04-24
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:PIM1 bound to OX0999
To Be Published
6CFM
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BU of 6cfm by Molmil
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
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
6QY9
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BU of 6qy9 by Molmil
Human CSNK2A2 bound to a Pyrrolo[2,3-d]pyrimidinyl inhibitor
Descriptor: 1,2-ETHANEDIOL, 3-[3-[2-[(3,4,5-trimethoxyphenyl)amino]pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]propanenitrile, CHLORIDE ION, ...
Authors:Abdul Azeez, K.R, Sorrell, F.J, Krojer, T, Bountra, C, Edwards, A.M, Arrowsmith, C, Knapp, S, Elkins, J.M.
Deposit date:2019-03-08
Release date:2019-04-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Human CSNK2A2 bound to a Pyrrolo[2,3-d]pyrimidinyl inhibitor
To Be Published
6QY7
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BU of 6qy7 by Molmil
Human CSNK2A1 bound to ERB-041
Descriptor: 2-(3-FLUORO-4-HYDROXYPHENYL)-7-VINYL-1,3-BENZOXAZOL-5-OL, CHLORIDE ION, Casein kinase II subunit alpha
Authors:Abdul Azeez, K.R, Sorrell, F.J, Krojer, T, Bountra, C, Edwards, A.M, Arrowsmith, C, Knapp, S, Elkins, J.M.
Deposit date:2019-03-08
Release date:2020-03-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:CSNK2A1 bound to ERB-041
To Be Published
6QY8
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BU of 6qy8 by Molmil
Human CSNK2A2 bound to ERB-041
Descriptor: 2-(3-FLUORO-4-HYDROXYPHENYL)-7-VINYL-1,3-BENZOXAZOL-5-OL, Casein kinase II subunit alpha'
Authors:Abdul Azeez, K.R, Sorrell, F.J, Krojer, T, Bountra, C, Edwards, A.M, Arrowsmith, C, Knapp, S, Elkins, J.M.
Deposit date:2019-03-08
Release date:2020-03-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:CSNK2A1 bound to ERB-041
To Be Published
4D0O
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BU of 4d0o by Molmil
AKAP13 (AKAP-Lbc) DH domain
Descriptor: A-KINASE ANCHOR PROTEIN 13
Authors:Abdul Azeez, K.R, Shrestha, L, Krojer, T, Allerston, C, von Delft, F, Bountra, C, Arrowsmith, C, Edwards, A.M, Knapp, S, Klussmann, E, Elkins, J.M.
Deposit date:2014-04-29
Release date:2014-05-21
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:The Crystal Structure of the Rhoa : Akap-Lbc Dh-Ph Domain Complex.
Biochem.J., 464, 2014
6EIM
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BU of 6eim by Molmil
Human STK10 bound to GW683134A
Descriptor: 1,2-ETHANEDIOL, Serine/threonine-protein kinase 10, ~{N}-[5-[4-[[2-fluoranyl-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-1~{H}-benzimidazol-2-yl]furan-2-carboxamide
Authors:Sorrell, F.J, Berger, B.-T, Salah, E, von Delft, F, Bountra, C, Arrowsmith, C, Edwards, A.M, Knapp, S, Elkins, J.M.
Deposit date:2017-09-19
Release date:2017-11-01
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Human STK10 bound to GW683134
To Be Published
2BR9
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BU of 2br9 by Molmil
14-3-3 Protein Epsilon (Human) Complexed to Peptide
Descriptor: 14-3-3 PROTEIN EPSILON, CONSENSUS PEPTIDE FOR 14-3-3 PROTEINS
Authors:Yang, X, Elkins, J.M, Soundararajan, M, Fedorov, O, Sundstrom, M, Edwards, A, Arrowsmith, C, Doyle, D.A.
Deposit date:2005-05-03
Release date:2005-05-12
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural Basis for Protein-Protein Interactions in the 14-3-3 Protein Family.
Proc.Natl.Acad.Sci.USA, 103, 2006
2BMJ
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BU of 2bmj by Molmil
GTPase like domain of Centaurin Gamma 1 (Human)
Descriptor: CENTAURIN GAMMA 1
Authors:Yang, X, Elkins, J.M, Soundararajan, M, Arrowsmith, C, Edwards, A, Sundstrom, M, Doyle, D.A, Structural Genomics Consortium (SGC)
Deposit date:2005-03-14
Release date:2005-04-12
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The Centaurin Gamma-1 Gtpase-Like Domain Functions as an Ntpase.
Biochem.J., 401, 2007
2BQ0
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BU of 2bq0 by Molmil
14-3-3 Protein Beta (Human)
Descriptor: 14-3-3 BETA/ALPHA
Authors:Yang, X, Elkins, J.M, Fedorov, O, Longman, E.J, Sobott, L, Ball, L.J, Sundstrom, M, Arrowsmith, C, Edwards, A, Doyle, D.A.
Deposit date:2005-04-26
Release date:2005-05-06
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural Basis for Protein-Protein Interactions in the 14-3-3 Protein Family.
Proc.Natl.Acad.Sci.USA, 103, 2006
2FCF
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BU of 2fcf by Molmil
The crystal structure of the 7th PDZ domain of MPDZ (MUPP-1)
Descriptor: Multiple PDZ domain protein
Authors:Papagrigoriou, E, Berridge, G, Johansson, C, Colebrook, S, Salah, E, Burgess, N, Smee, C, Savitsky, P, Bray, J, Schoch, G, Phillips, C, Gileadi, C, Soundarajan, M, Yang, X, Elkins, J.M, Gorrec, F, Turnbull, A, Edwards, A, Arrowsmith, C, Weigelt, J, Sundstrom, M, Doyle, D.A, Structural Genomics Consortium (SGC)
Deposit date:2005-12-12
Release date:2006-01-17
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Structure of PICK1 and other PDZ domains obtained with the help of self-binding C-terminal extensions.
Protein Sci., 16, 2007
2OV2
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BU of 2ov2 by Molmil
The crystal structure of the human RAC3 in complex with the CRIB domain of human p21-activated kinase 4 (PAK4)
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Ugochukwu, E, Yang, X, Elkins, J.M, Burgess-Brown, N, Bunkoczi, G, Debreczeni, J.E.D, Sundstrom, M, Arrowsmith, C.H, Weigelt, J, Edwards, A, von Delft, F, Knapp, S, Doyle, D.A, Structural Genomics Consortium (SGC)
Deposit date:2007-02-12
Release date:2007-03-13
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The crystal structure of the human RAC3 in complex with the CRIB domain of human p21-activated kinase 4 (PAK4)
To be Published

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