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3K21
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BU of 3k21 by Molmil
Crystal Structure of carboxy-terminus of PFC0420w.
分子名称: ACETATE ION, CALCIUM ION, Calcium-dependent protein kinase 3, ...
著者Wernimont, A.K, Hutchinson, A, Artz, J.D, Mackenzie, F, Cossar, D, Kozieradzki, I, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Hui, R, Amani, M, Structural Genomics Consortium (SGC)
登録日2009-09-29
公開日2010-01-26
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Structures of parasitic CDPK domains point to a common mechanism of activation.
Proteins, 79, 2011
3K63
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X-ray structure of the PF04200 domain from Q9PRA0_UREPA protein of Ureaplasma parvum. NESG target UuR17a.
分子名称: Conserved hypothetical membrane lipoprotein
著者Vorobiev, S, Neely, H, Seetharaman, J, Lee, D, Ciccosanti, C, Mao, L, Xiao, R, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
登録日2009-10-08
公開日2009-10-20
最終更新日2017-10-25
実験手法X-RAY DIFFRACTION (2.494 Å)
主引用文献X-ray structure of the PF04200 domain from Q9PRA0_UREPA protein of Ureaplasma parvum.
To be Published
3K5K
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BU of 3k5k by Molmil
Discovery of a 2,4-Diamino-7-aminoalkoxy-quinazoline as a Potent Inhibitor of Histone Lysine Methyltransferase, G9a
分子名称: 7-[3-(dimethylamino)propoxy]-6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-methylpiperidin-4-yl)quinazolin-4-amine, CHLORIDE ION, Histone-lysine N-methyltransferase, ...
著者Dong, A, Wasney, G.A, Liu, F, Chen, X, Allali-Hassani, A, Senisterra, G, Chau, I, Bountra, C, Weigelt, J, Edwards, A.M, Arrowsmith, C.H, Frye, S.V, Bochkarev, A, Brown, P.J, Jin, J, Vedadi, M, Structural Genomics Consortium (SGC)
登録日2009-10-07
公開日2009-11-10
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Discovery of a 2,4-diamino-7-aminoalkoxyquinazoline as a potent and selective inhibitor of histone lysine methyltransferase G9a.
J.Med.Chem., 52, 2009
3JPX
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BU of 3jpx by Molmil
EED: A Novel Histone Trimethyllysine Binder Within The EED-EZH2 Polycomb Complex
分子名称: HISTONE PEPTIDE, Polycomb protein EED
著者Xu, C, Bian, C.B, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J, Structural Genomics Consortium (SGC)
登録日2009-09-04
公開日2009-10-20
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Binding of different histone marks differentially regulates the activity and specificity of polycomb repressive complex 2 (PRC2).
Proc.Natl.Acad.Sci.USA, 107, 2010
3KU2
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BU of 3ku2 by Molmil
Crystal Structure of inactivated form of CDPK1 from toxoplasma gondii, TGME49.101440
分子名称: Calmodulin-domain protein kinase 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, UNKNOWN ATOM OR ION
著者Wernimont, A.K, Artz, J.D, Finnerty, P, Xiao, T, He, H, Mackenzie, F, Sinestera, G, Hassani, A.A, Wasney, G, Vedadi, M, Lourido, S, Bochkarev, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Sibley, D.L, Hui, R, Lin, Y.H, Structural Genomics Consortium (SGC)
登録日2009-11-26
公開日2010-02-16
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structures of apicomplexan calcium-dependent protein kinases reveal mechanism of activation by calcium.
Nat.Struct.Mol.Biol., 17, 2010
3KVO
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BU of 3kvo by Molmil
Crystal structure of the catalytic domain of human Hydroxysteroid dehydrogenase like 2 (HSDL2)
分子名称: Hydroxysteroid dehydrogenase-like protein 2, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Ugochukwu, E, Bhatia, C, Huang, J, Pilka, E, Muniz, J.R.C, Pike, A.C.W, Krojer, T, von Delft, F, Arrowsmith, C.H, Weigelt, J, Edwards, A, Bountra, C, Verdin, E.M, Oppermann, U, Kavanagh, K.L, Structural Genomics Consortium (SGC)
登録日2009-11-30
公開日2010-03-09
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Crystal structure of the catalytic domain of human Hydroxysteroid dehydrogenase like 2 (HSDL2)
To be Published
3DZO
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BU of 3dzo by Molmil
Crystal structure of a rhoptry kinase from toxoplasma gondii
分子名称: MAGNESIUM ION, Rhoptry kinase domain
著者Wernimont, A.K, Lam, A, Ali, A, Lin, Y.H, Ni, S, Ravichandran, M, Wasney, G, Vedadi, M, Kozieradzki, I, Schapira, M, Bochkarev, A, Wilkstrom, M, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Sibley, D, Hui, R, Qiu, W, Structural Genomics Consortium (SGC)
登録日2008-07-30
公開日2008-09-16
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Novel structural and regulatory features of rhoptry secretory kinases in Toxoplasma gondii.
Embo J., 28, 2009
3L4I
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BU of 3l4i by Molmil
CRYSTAL STRUCTURE OF THE N-TERMINAL DOMAIN OF HSP70 (CGD2_20) FROM Cryptosporidium PARVUM IN COMPLEX WITH ADP and inorganic phosphate
分子名称: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ...
著者Pizarro, J.C, Wernimont, A.K, Hutchinson, A, Sullivan, H, Lew, J, Bochkarev, A, Arrowsmith, C.H, Bountra, C, Weigelt, J, Edwards, A.M, Hui, R, Hills, T, Structural Genomics Consortium (SGC)
登録日2009-12-20
公開日2010-01-19
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献CRYSTAL STRUCTURE OF THE N-TERMINAL DOMAIN OF HSP70 (CGD2_20) FROM Cryptosporidium PARVUM IN COMPLEX WITH ADP and inorganic phosphate
To be Published
3G2F
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BU of 3g2f by Molmil
Crystal structure of the kinase domain of bone morphogenetic protein receptor type II (BMPR2) at 2.35 A resolution
分子名称: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, Bone morphogenetic protein receptor type-2, ...
著者Chaikuad, A, Thangaratnarajah, C, Roos, A.K, Filippakopoulos, P, Salah, E, Phillips, C, Keates, T, Fedorov, O, Chalk, R, Petrie, K, Pike, A.C.W, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Bullock, A, Structural Genomics Consortium (SGC)
登録日2009-01-31
公開日2009-02-17
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structural consequences of BMPR2 kinase domain mutations causing pulmonary arterial hypertension.
Sci Rep, 9, 2019
3JZH
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BU of 3jzh by Molmil
EED-H3K79me3
分子名称: HISTONE PEPTIDE, Polycomb protein EED
著者Xu, C, Bian, C.B, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J, Structural Genomics Consortium (SGC)
登録日2009-09-23
公開日2009-12-15
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Binding of different histone marks differentially regulates the activity and specificity of polycomb repressive complex 2 (PRC2).
Proc.Natl.Acad.Sci.USA, 107, 2010
3HKO
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BU of 3hko by Molmil
Crystal structure of a cdpk kinase domain from cryptosporidium Parvum, cgd7_40
分子名称: Calcium/calmodulin-dependent protein kinase with a kinase domain and 2 calmodulin-like EF hands, GLYCEROL, MAGNESIUM ION, ...
著者Wernimont, A.K, Hutchinson, A, Wasney, G, Vedadi, M, MacKenzie, F, Kozieradzki, I, Cossar, D, Weigelt, J, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Botchkarev, A, Hui, R, Artz, J.D, Amani, M, Structural Genomics Consortium (SGC)
登録日2009-05-25
公開日2009-06-02
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of a cdpk kinase domain from cryptosporidium Parvum, cgd7_40
To be Published
3I1H
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BU of 3i1h by Molmil
Crystal structure of human BFL-1 in complex with BAK BH3 peptide
分子名称: Apoptosis regulator BAK, Protein BFL-1
著者Guan, R, Xiao, R, Zhao, L, Acton, T, White, E, Gelinas, C, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
登録日2009-06-26
公開日2009-07-14
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献crystal structure of human BFL-1 in complex with BAK BH3 peptide
To be Published
3G1U
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BU of 3g1u by Molmil
Crystal structure of Leishmania major S-adenosylhomocysteine hydrolase
分子名称: ADENOSINE, Adenosylhomocysteinase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Siponen, M.I, Welin, M, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Karlberg, T, Kotenyova, T, Lehtio, L, Moche, M, Nilsson, M.E, Nordlund, P, Nyman, T, Persson, C, Sagemark, J, Schutz, P, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Weigelt, J, Wisniewska, M, Schueler, H, Structural Genomics Consortium (SGC)
登録日2009-01-30
公開日2009-02-10
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of Leishmania major S-adenosylhomocysteine hydrolase
To be Published
3RK1
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BU of 3rk1 by Molmil
'X-ray crystal Structure of the putative N-type ATP pyrophosphatase (PF0828) in complex with ATP from Pyrococcus furiosus, Northeast Structural Genomics Consortium Target PfR23
分子名称: ADENOSINE-5'-TRIPHOSPHATE, N-type ATP pyrophosphatase superfamily, PHOSPHATE ION
著者Forouhar, F, Seetharaman, J, Janjua, J, Xiao, R, Cunningham, K, Ma, L, Shastry, R, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
登録日2011-04-16
公開日2011-05-11
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献A large conformational change in the putative ATP pyrophosphatase PF0828 induced by ATP binding.
Acta Crystallogr.,Sect.F, 67, 2011
3KUZ
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BU of 3kuz by Molmil
Crystal structure of the ubiquitin like domain of PLXNC1
分子名称: Plexin-C1, UNKNOWN ATOM OR ION
著者Wang, H, Li, B, Tempel, W, Tong, Y, Guan, X, Zhong, N, Crombet, L, MacKenzie, F, Buck, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC)
登録日2009-11-28
公開日2009-12-08
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of the ubiquitin like domain of PLXNC1
to be published
3L50
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BU of 3l50 by Molmil
The crystal structure of human Glia Maturation Factor, Gamma (GMFG)
分子名称: CHLORIDE ION, Glia maturation factor gamma
著者Ugochukwu, E, Pilka, E, Krysztofinska, E, Hapka, E, Krojer, T, Muniz, J, Vollmar, M, Pike, A.C.W, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Kavanagh, K.L, Oppermann, U, Structural Genomics Consortium (SGC)
登録日2009-12-21
公開日2010-02-02
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The crystal structure of human Glia Maturation Factor, Gamma (GMFG)
To be Published
3HMI
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BU of 3hmi by Molmil
The crystal structure of human ABL2 in complex with 5-AMINO-3-{[4-(AMINOSULFONYL)PHENYL]AMINO}-N-(2,6-DIFLUOROPHENYL)-1H-1,2,4-TRIAZOLE-1-CARBOTHIOAMIDE
分子名称: 5-AMINO-3-{[4-(AMINOSULFONYL)PHENYL]AMINO}-N-(2,6-DIFLUOROPHENYL)-1H-1,2,4-TRIAZOLE-1-CARBOTHIOAMIDE, Tyrosine-protein kinase ABL2
著者Ugochukwu, E, Salah, E, Barr, A, Mahajan, P, Shrestha, B, Savitsky, P, Chaikuad, A, Allerston, C, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Knapp, S, Structural Genomics Consortium (SGC)
登録日2009-05-29
公開日2009-07-07
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献The crystal structure of human ABL2 in complex with 5-AMINO-3-{[4-(AMINOSULFONYL)PHENYL]AMINO}-N-(2,6-DIFLUOROPHENYL)-1H-1,2,4-TRIAZOLE-1-CARBOTHIOAMIDE
To be Published
3HX4
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BU of 3hx4 by Molmil
Crystal structure of CDPK1 of Toxoplasma gondii, TGME49_101440, in presence of calcium
分子名称: CALCIUM ION, Calmodulin-domain protein kinase 1, GLYCEROL, ...
著者Wernimont, A.K, Artz, J.D, Finnerty, P, Xiao, T, He, H, MacKenzie, F, Sinestera, G, Hassani, A.A, Wasney, G, Vedadi, M, Lourido, S, Bochkarev, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Sibley, D.L, Hui, R, Lin, Y.H, Structural Genomics Consortium (SGC)
登録日2009-06-19
公開日2009-07-21
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structures of apicomplexan calcium-dependent protein kinases reveal mechanism of activation by calcium.
Nat.Struct.Mol.Biol., 17, 2010
3U13
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BU of 3u13 by Molmil
Crystal Structure of de Novo design of cystein esterase ECH13 at the resolution 1.6A, Northeast Structural Genomics Consortium Target OR51
分子名称: DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, PHOSPHATE ION, ...
著者Kuzin, A, Su, M, Seetharaman, J, Sahdev, S, Xiao, R, Kohan, E, Richter, F, Everett, J.K, Acton, T.B, Baker, D, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
登録日2011-09-29
公開日2011-11-23
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Computational design of catalytic dyads and oxyanion holes for ester hydrolysis.
J.Am.Chem.Soc., 134, 2012
3UAK
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BU of 3uak by Molmil
Crystal Structure of De Novo designed cysteine esterase ECH14, Northeast Structural Genomics Consortium Target OR54
分子名称: De Novo designed cysteine esterase ECH14
著者Kuzin, A, Su, M, Seetharaman, J, Sahdev, S, Xiao, R, Ciccosanti, C, Richter, F, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Baker, D, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
登録日2011-10-21
公開日2011-12-07
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (3.232 Å)
主引用文献Computational design of catalytic dyads and oxyanion holes for ester hydrolysis.
J.Am.Chem.Soc., 134, 2012
3HM8
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BU of 3hm8 by Molmil
Crystal structure of the C-terminal Hexokinase domain of human HK3
分子名称: 6-O-phosphono-beta-D-glucopyranose, Hexokinase-3, alpha-D-glucopyranose
著者Nedyalkova, L, Tong, Y, Rabeh, W, Tempel, W, Landry, R, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC)
登録日2009-05-28
公開日2009-08-11
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structure of the C-terminal Hexokinase domain of human HK3
To be Published
3DM1
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BU of 3dm1 by Molmil
Crystal structure of the complex of human chromobox homolog 3 (CBX3) with peptide
分子名称: Chromobox protein homolog 3, Histone-lysine N-methyltransferase, H3 lysine-9 specific 3
著者Amaya, M.F, Ravichandran, M, Loppnau, P, Kozieradzki, I, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Bountra, C, Bochkarev, A, Min, J, Ouyang, H, Structural Genomics Consortium (SGC)
登録日2008-06-30
公開日2008-08-19
最終更新日2017-10-25
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural basis of the chromodomain of Cbx3 bound to methylated peptides from histone h1 and G9a.
Plos One, 7, 2012
3HZT
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BU of 3hzt by Molmil
Crystal structure of Toxoplasma gondii CDPK3, TGME49_105860
分子名称: 5-[(E)-(5-CHLORO-2-OXO-1,2-DIHYDRO-3H-INDOL-3-YLIDENE)METHYL]-N-[2-(DIETHYLAMINO)ETHYL]-2,4-DIMETHYL-1H-PYRROLE-3-CARBOXAMIDE, Calcium-dependent protein kinase 3, GLYCEROL, ...
著者Wernimont, A.K, Artz, J.D, Finnerty, P, Wasney, G, Allali-Hassani, A, Vedadi, M, Bochkarev, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Hui, R, Amani, M, Structural Genomics Consortium (SGC)
登録日2009-06-24
公開日2009-07-21
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structures of apicomplexan calcium-dependent protein kinases reveal mechanism of activation by calcium.
Nat.Struct.Mol.Biol., 17, 2010
3I2V
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Crystal structure of human MOCS3 rhodanese-like domain
分子名称: Adenylyltransferase and sulfurtransferase MOCS3
著者Bacik, J.P, Walker, J.R, Lopez, L, Li, Y, Weigelt, J, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
登録日2009-06-29
公開日2009-07-21
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Crystal structure of the human MOCS3 rhodanese-like domain
To be Published
4M0R
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BU of 4m0r by Molmil
Trianthranilate-like analogue bound to anthranilate phosphoribosyltransferase (AnPRT; TrpD).
分子名称: 2,6-bis[(2-carboxyphenyl)amino]benzoic acid, Anthranilate phosphoribosyltransferase, DIMETHYL SULFOXIDE, ...
著者Evans, G.L, Baker, E.N, Lott, J.S, TB Structural Genomics Consortium (TBSGC)
登録日2013-08-02
公開日2014-05-21
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Repurposing the Chemical Scaffold of the Anti-Arthritic Drug Lobenzarit to Target Tryptophan Biosynthesis in Mycobacterium tuberculosis.
Chembiochem, 15, 2014

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