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6BRU
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BU of 6bru by Molmil
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
6BKU
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BU of 6bku by Molmil
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
6BQQ
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BU of 6bqq by Molmil
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
6BQL
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BU of 6bql by Molmil
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
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
6BYA
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BU of 6bya by Molmil
Crystal structure of LdBPK_091320 with inhibitor bound
Descriptor: 2-[2-(3-chloro-4-methoxyphenyl)ethyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2S)-2-(morpholin-4-yl)propyl]-1H-benzimidazole, UNKNOWN ATOM OR ION, Uncharacterized protein
Authors:Dong, A, Lin, Y.H, Loppnau, P, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Hui, R, Structural Genomics Consortium (SGC)
Deposit date:2017-12-20
Release date:2018-01-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Crystal structure of LdBPK_091320.1 with with inhibitor bound
to be published
6BYB
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BU of 6byb by Molmil
Crystal structure of L3MBTL1 MBT Domain with MBK14970
Descriptor: (S)-N-(cyclopropylmethyl)-N~2~-methyl-N-[2-methyl-2-(1-methylpiperidin-4-yl)propyl]alaninamide, 1,2-ETHANEDIOL, Lethal(3)malignant brain tumor-like protein 1, ...
Authors:DONG, A, DOBROVETSKY, E, NICHOLSON, B, COX, C, FISCHER, C, ARMACOST, K, SANDERS, J, Bountra, C, Arrowsmith, C.H, Edwards, A.M, BROWN, P.J, Structural Genomics Consortium (SGC)
Deposit date:2017-12-20
Release date:2018-01-24
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Crystal structure of L3MBTL1 MBT Domain with MBK14970
to be published
6BY9
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BU of 6by9 by Molmil
Crystal structure of EHMT1
Descriptor: Histone-lysine N-methyltransferase EHMT1, UNKNOWN ATOM OR ION
Authors:Dong, A, Wei, Y, Li, A, Tempel, W, Han, S, Sunnerhagen, M, Penn, L, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Tong, Y, Structural Genomics Consortium (SGC)
Deposit date:2017-12-20
Release date:2018-01-31
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of EHMT1
to be published
6C2F
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BU of 6c2f by Molmil
MBD2 in complex with methylated DNA
Descriptor: 12-mer DNA, Methyl-CpG-binding domain protein 2, UNKNOWN ATOM OR ION
Authors:Liu, K, Xu, C, Tempel, W, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Min, J, Structural Genomics Consortium, Structural Genomics Consortium (SGC)
Deposit date:2018-01-08
Release date:2018-02-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:MBD2 in complex with methylated DNA
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
6CBX
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BU of 6cbx by Molmil
Crystal structure of human SET and MYND Domain Containing protein 2 with MTF1497
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, N-lysine methyltransferase SMYD2, ...
Authors:ZENG, H, DONG, A, Hutchinson, A, Seitova, A, TATLOCK, J, KUMPF, R, OWEN, A, TAYLOR, A, Casimiro-Garcia, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, BROWN, P.J, WU, H, Structural Genomics Consortium (SGC)
Deposit date:2018-02-05
Release date:2018-03-14
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Crystal structure of human SET and MYND Domain Containing protein 2 with MTF1497
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
4X3G
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BU of 4x3g by Molmil
Crystal structure of SIAH1 SINA domain in complex with a USP19 peptide
Descriptor: E3 ubiquitin-protein ligase SIAH1, Ubiquitin carboxyl-terminal hydrolase 19, ZINC ION
Authors:Walker, J.R, Dong, A, Zhang, Q, Huang, X, Li, Y, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Tong, Y, Structural Genomics Consortium (SGC)
Deposit date:2014-11-28
Release date:2014-12-31
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Crystal structure of SIAH1 SINA domain in complex with a USP19 peptide
To be published
4XCX
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BU of 4xcx by Molmil
METHYLTRANSFERASE DOMAIN OF SMALL RNA 2'-O-METHYLTRANSFERASE
Descriptor: S-ADENOSYL-L-HOMOCYSTEINE, Small RNA 2'-O-methyltransferase
Authors:Walker, J.R, Zeng, H, Dong, A, Li, Y, Wernimont, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Wu, H, Structural Genomics Consortium (SGC)
Deposit date:2014-12-18
Release date:2015-01-14
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.84 Å)
Cite:Crystal structure of human C1ORF59 in complex with SAH
To be published
4Y03
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BU of 4y03 by Molmil
Crystal Structure of the fifth bromodomain of human PB1 in complex with salicylic acid
Descriptor: 2-HYDROXYBENZOIC ACID, CITRIC ACID, Protein polybromo-1
Authors:Filippakopoulos, P, Picaud, S, Felletar, I, Fedorov, O, von Delft, F, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2015-02-05
Release date:2015-05-20
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Crystal Structure of the fifth bromodomain of human PB1 in complex with salicylic acid
To Be Published
4XWX
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BU of 4xwx by Molmil
Crystal structure of the PTB domain of SHC
Descriptor: 1,2-ETHANEDIOL, SHC-transforming protein 1, SODIUM ION
Authors:Chaikuad, A, Tallant, C, Krojer, T, Dixon-Clarke, S, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2015-01-29
Release date:2015-02-25
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Crystal structure of the PTB domain of SHC
To Be Published
4YWQ
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BU of 4ywq by Molmil
Crystal structure of the ROQ domain of human Roquin-1
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ...
Authors:Dong, A, Zhang, Q, Li, Y, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Tong, Y, Structural Genomics Consortium (SGC)
Deposit date:2015-03-20
Release date:2015-04-22
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of the ROQ domain of human Roquin-1
To be Published
4YVD
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BU of 4yvd by Molmil
Crytsal structure of human Pleiotropic Regulator 1 (PRL1)
Descriptor: CHLORIDE ION, Pleiotropic regulator 1, SODIUM ION, ...
Authors:Dong, A, Zeng, H, Xu, C, Tempel, W, Li, Y, He, H, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Min, J, Wu, H, Structural Genomics Consortium (SGC)
Deposit date:2015-03-19
Release date:2015-04-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crytsal structure of human Pleiotropic Regulator 1 (PRL1).
to be published
4Z0O
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BU of 4z0o by Molmil
CW-type zinc finger of ZCWPW2 with F78D mutation
Descriptor: SODIUM ION, UNKNOWN ATOM OR ION, ZINC ION, ...
Authors:Liu, Y, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2015-03-26
Release date:2015-04-08
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:CW-type zinc finger of ZCWPW2 with F78D mutation
To be Published
4Z0R
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BU of 4z0r by Molmil
Crystal Structure of the CW domain of ZCWPW2 mutant F78R in complex with histone H3 peptide
Descriptor: 1,2-ETHANEDIOL, Histone H3.1, SULFATE ION, ...
Authors:Liu, Y, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2015-03-26
Release date:2015-04-08
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal Structure of the CW domain of ZCWPW2 mutant F78R in complex with histone H3 peptide
To be Published
4Z02
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BU of 4z02 by Molmil
Crystal structure of BRD1 in complex with Isoquinoline-3-carboxylic acid
Descriptor: 1,2-ETHANEDIOL, Bromodomain-containing protein 1, UNKNOWN ATOM OR ION, ...
Authors:DONG, A, IQBAL, A, WALKER, J.R, Bountra, C, Arrowsmith, C.H, Edwards, A.M, BROWN, P.J, Structural Genomics Consortium (SGC)
Deposit date:2015-03-25
Release date:2015-04-22
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Crystal structure of BRD1 incomplex with Isoquinoline-3-carboxylic acid
to be published
4Z9M
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BU of 4z9m by Molmil
Crystal structure of human sarcomeric mitochondrial creatine kinase
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Creatine kinase S-type, mitochondrial, ...
Authors:Rabeh, W.M, Tempel, W, Nedyalkova, L, Landry, R, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2015-04-10
Release date:2015-04-22
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of human sarcomeric mitochondrial creatine kinase
To Be Published

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