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6H1F
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BU of 6h1f by Molmil
Structure of the nanobody-stabilized gelsolin D187N variant (second domain)
分子名称: Gelsolin, THIOCYANATE ION, gelsolin nanobody, ...
著者Hassan, A, Milani, M, Mastrangelo, E, de Rosa, M.
登録日2018-07-11
公開日2019-01-23
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Nanobody interaction unveils structure, dynamics and proteotoxicity of the Finnish-type amyloidogenic gelsolin variant.
Biochim Biophys Acta Mol Basis Dis, 1865, 2019
4WUY
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BU of 4wuy by Molmil
Crystal Structure of Protein Lysine Methyltransferase SMYD2 in complex with LLY-507, a Cell-Active, Potent and Selective Inhibitor
分子名称: 5-cyano-2'-{4-[2-(3-methyl-1H-indol-1-yl)ethyl]piperazin-1-yl}-N-[3-(pyrrolidin-1-yl)propyl]biphenyl-3-carboxamide, GLYCEROL, N-lysine methyltransferase SMYD2, ...
著者Nguyen, H, Allali-Hassani, A, Antonysamy, S, Chang, S, Chen, L.H, Curtis, C, Emtage, S, Fan, L, Gheyi, T, Li, F, Liu, S, Martin, J.R, Mendel, D, Olsen, J.B, Pelletier, L, Shatseva, T, Wu, S, Zhang, F.F, Arrowsmith, C.H, Brown, P.J, Campbell, R.M, Garcia, B.A, Barsyte-Lovejoy, D, Mader, M, Vedadi, M.
登録日2014-11-04
公開日2015-04-08
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献LLY-507, a Cell-active, Potent, and Selective Inhibitor of Protein-lysine Methyltransferase SMYD2.
J.Biol.Chem., 290, 2015
3KHD
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Crystal Structure of PFF1300w.
分子名称: Pyruvate kinase
著者Wernimont, A.K, Hutchinson, A, Hassanali, A, Mackenzie, F, Cossar, D, Bochkarev, A, Arrowsmith, C.H, Bountra, C, Weigelt, J, Edwards, A.M, Hui, R, Pizarro, J.C, Bakszt, R, Hills, T, Structural Genomics Consortium (SGC)
登録日2009-10-30
公開日2010-01-19
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal Structure of PFF1300w.
To be Published
2QNW
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Toxoplasma gondii apicoplast-targeted acyl carrier protein
分子名称: Acyl carrier protein, SODIUM ION, SULFATE ION, ...
著者Lunin, V.V, Wernimont, A, Lew, J, Qiu, W, Lin, L, Hassanali, A, Kozieradzki, I, Zhao, Y, Schapira, M, Bochkarev, A, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A, Hui, R, Brokx, S, Structural Genomics Consortium (SGC)
登録日2007-07-19
公開日2007-07-31
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Toxoplasma gondii apicoplast-targeted acyl carrier protein.
To be Published
2QOQ
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Human EphA3 kinase and juxtamembrane region, base, AMP-PNP bound structure
分子名称: Ephrin receptor, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
著者Davis, T, Walker, J.R, Newman, E.M, Mackenzie, F, Butler-Cole, C, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Loppnau, P, Allali-Hassani, A, Structural Genomics Consortium (SGC)
登録日2007-07-20
公開日2007-10-02
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Autoregulation by the Juxtamembrane Region of the Human Ephrin Receptor Tyrosine Kinase A3 (EphA3).
Structure, 16, 2008
2QKR
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Cryptosporidium parvum cyclin-dependent kinase cgd5_2510 with indirubin 3'-monoxime bound
分子名称: (Z)-1H,1'H-[2,3']BIINDOLYLIDENE-3,2'-DIONE-3-OXIME, Cdc2-like CDK2/CDC28 like protein kinase
著者Wernimont, A.K, Dong, A, Lew, J, Lin, Y.H, Hassanali, A, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Sundstrom, M, Bochkarev, A, Hui, R, Artz, J.D, Structural Genomics Consortium (SGC)
登録日2007-07-11
公開日2007-09-04
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Cryptosporidium parvum cyclin-dependent kinase cgd5_2510 with indirubin 3'-monoxime bound.
To be Published
2QU8
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Crystal structure of putative nucleolar GTP-binding protein 1 PFF0625w from Plasmodium falciparum
分子名称: GUANOSINE-5'-DIPHOSPHATE, Putative nucleolar GTP-binding protein 1
著者Wernimont, A.K, Lew, J, Lin, Y.H, Kozieradzki, I, Zhao, Y, Ravichandran, M, Shapiro, M, Bochkarev, A, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Sundstrom, M, Hui, R, Qiu, W, Sukumar, D, Hassanali, A, Structural Genomics Consortium (SGC)
登録日2007-08-03
公開日2007-08-28
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Crystal structure of putative nucleolar GTP-binding protein 1 PFF0625w from Plasmodium falciparum.
To be Published
2QER
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Crystal structure of Cryptosporidium parvum cyclophilin type peptidyl-prolyl cis-trans isomerase cgd2_1660 in the presence of dipeptide ala-pro
分子名称: ALANINE, Cyclophilin-like protein, putative, ...
著者Wernimont, A.K, Lew, J, Hills, T, Hassanali, A, Lin, L, Wasney, G, Zhao, Y, Kozieradzki, I, Vedadi, M, Schapira, M, Bochkarev, A, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Sundstrom, M, Hui, R, Artz, J.D, Amani, M, Structural Genomics Consortium (SGC)
登録日2007-06-26
公開日2007-07-17
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Crystal structure of Cryptosporidium parvum cyclophilin type peptidyl-prolyl cis-trans isomerase cgd2_1660 in the presence of dipeptide ala-pro.
To be Published
3RJW
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BU of 3rjw by Molmil
Crystal structure of histone lysine methyltransferase g9a with an inhibitor
分子名称: 2-cyclohexyl-6-methoxy-N-[1-(1-methylethyl)piperidin-4-yl]-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine, Histone-lysine N-methyltransferase EHMT2, S-ADENOSYL-L-HOMOCYSTEINE, ...
著者Dong, A, Wasney, G.A, Tempel, W, Liu, F, Barsyte, D, Allali-Hassani, A, Chen, X, Chau, I, Hajian, T, Senisterra, G, Chavda, N, Arora, K, Siarheyeva, A, Kireev, D.B, Herold, J.M, Bochkarev, A, Bountra, C, Weigelt, J, Edwards, A.M, Frye, S.V, Arrowsmith, C.H, Brown, P.J, Jin, J, Vedadi, M, Structural Genomics Consortium (SGC)
登録日2011-04-15
公開日2011-05-04
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.56 Å)
主引用文献A chemical probe selectively inhibits G9a and GLP methyltransferase activity in cells.
Nat.Chem.Biol., 7, 2011
3UR4
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BU of 3ur4 by Molmil
Crystal structure of human WD repeat domain 5 with compound
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, SULFATE ION, ...
著者Dong, A, Dombrovski, L, Senisterra, G, Wernimont, A, Wasney, G.A, Allali Hassani, A, Nguyen, K.T, Smil, D, Bolshan, Y, Hajian, T, Poda, G, Chau, I, Al-Awar, R, Bountra, C, Weigelt, J, Edwards, A.M, Arrowsmith, C.H, Brown, P, Schapira, M, Vedadi, M, Wu, H, Structural Genomics Consortium (SGC)
登録日2011-11-21
公開日2011-12-14
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Small-molecule inhibition of MLL activity by disruption of its interaction with WDR5.
Biochem. J., 449, 2013
3K5K
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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
3SMQ
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BU of 3smq by Molmil
Crystal structure of protein arginine methyltransferase 3
分子名称: 1-(1,2,3-benzothiadiazol-6-yl)-3-[2-(cyclohex-1-en-1-yl)ethyl]urea, CHLORIDE ION, Protein arginine N-methyltransferase 3, ...
著者Dobrovetsky, E, Dong, A, Walker, J.R, Siarheyeva, A, Senisterra, G, Wasney, G.A, Smil, D, Bolshan, Y, Nguyen, K.T, Allali-Hassani, A, Hajian, T, Poda, G, Bountra, C, Weigelt, J, Edwards, A.M, Al-Awar, R, Brown, P.J, Schapira, M, Arrowsmith, C.H, Vedadi, M, Structural Genomics Consortium (SGC)
登録日2011-06-28
公開日2011-08-31
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献An allosteric inhibitor of protein arginine methyltransferase 3.
Structure, 20, 2012
3N3K
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The catalytic domain of USP8 in complex with a USP8 specific inhibitor
分子名称: Ubiquitin, Ubiquitin carboxyl-terminal hydrolase 8, ZINC ION
著者Walker, J.R, Avvakumov, G.V, Xue, S, Li, Y, Allali-Hassani, A, Lam, R, Ernst, A, Sidhu, S, Weigelt, J, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium, Structural Genomics Consortium (SGC)
登録日2010-05-20
公開日2010-06-23
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献A strategy for modulation of enzymes in the ubiquitin system.
Science, 339, 2013
3C0Y
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BU of 3c0y by Molmil
Crystal structure of catalytic domain of human histone deacetylase HDAC7
分子名称: Histone deacetylase 7a, POTASSIUM ION, ZINC ION
著者Min, J.R, Schuetz, A, Allali-Hassani, A, Loppnau, P, Kwiatkowski, N.P, Mazitschek, R, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Vedadi, M, Bochkarev, A, Plotnikov, A.N, Structural Genomics Consortium (SGC)
登録日2008-01-21
公開日2008-02-19
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Human HDAC7 harbors a class IIa histone deacetylase-specific zinc binding motif and cryptic deacetylase activity.
J.Biol.Chem., 283, 2008
3JWP
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Crystal structure of Plasmodium falciparum SIR2A (PF13_0152) in complex with AMP
分子名称: ADENOSINE MONOPHOSPHATE, TRIETHYLENE GLYCOL, Transcriptional regulatory protein sir2 homologue, ...
著者Wernimont, A.K, Hutchinson, A, Lin, Y.H, MacKenzie, F, Senisterra, G, Allali-Hassanali, A, Vedadi, M, Ravichandran, M, Cossar, D, Kozieradzki, I, Zhao, Y, Schapira, M, Arrowsmith, C.H, Bountra, C, Weigelt, J, Edwards, A.M, Hui, R, Qiu, W, Brand, V, Structural Genomics Consortium (SGC)
登録日2009-09-18
公開日2009-10-20
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Crystal structure of Plasmodium falciparum SIR2A (PF13_0152) in complex with AMP
TO BE PUBLISHED
3IGO
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BU of 3igo by Molmil
Crystal structure of Cryptosporidium parvum CDPK1, cgd3_920
分子名称: CALCIUM ION, Calmodulin-domain protein kinase 1, GLYCEROL, ...
著者Wernimont, A.K, Artz, J.D, Finnerty, P, Amani, M, Allali-Hassanali, A, Vedadi, M, Tempel, W, MacKenzie, F, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Weigelt, J, Bochkarev, A, Hui, R, Lin, Y.H, Structural Genomics Consortium (SGC)
登録日2009-07-28
公開日2009-08-11
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.25 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
2H9P
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WDR5 in complex with trimethylated H3K4 peptide
分子名称: H3 histone, WD-repeat protein 5
著者Min, J.R, Schuetz, A, Allali-Hassani, A, Martin, F, Loppnau, P, Vedadi, M, Weigelt, J, Sundstrom, M, Edwards, A.M, Arrowsmith, C.H, Bochkarev, A, Plotnikov, A.N, Structural Genomics Consortium (SGC)
登録日2006-06-10
公開日2006-08-01
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Structural basis for molecular recognition and presentation of histone H3 By WDR5.
Embo J., 25, 2006
3MES
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BU of 3mes by Molmil
Crystal structure of choline kinase from Cryptosporidium parvum Iowa II, cgd3_2030
分子名称: ADENOSINE-5'-DIPHOSPHATE, Choline kinase, DECAMETHONIUM ION, ...
著者Qiu, W, Wernimont, A, Hills, T, Lew, J, Artz, J.D, Xiao, T, Allali-Hassani, A, Vedadi, M, Kozieradzki, I, Cossar, D, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Hui, R, Ma, D, Structural Genomics Consortium (SGC)
登録日2010-03-31
公開日2010-04-07
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Crystal structure of choline kinase from Cryptosporidium parvum Iowa II, cgd3_2030
TO BE PUBLISHED
2GWH
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Human Sulfotranferase SULT1C2 in complex with PAP and pentachlorophenol
分子名称: ADENOSINE-3'-5'-DIPHOSPHATE, PENTACHLOROPHENOL, Sulfotransferase 1C2, ...
著者Tempel, W, Pan, P.W, Dombrovski, L, Allali-Hassani, A, Vedadi, M, Loppnau, P, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Plotnikov, A.N, Structural Genomics Consortium (SGC)
登録日2006-05-04
公開日2006-05-16
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural and chemical profiling of the human cytosolic sulfotransferases.
Plos Biol., 5, 2007
2H9L
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WDR5delta23
分子名称: SULFATE ION, WD-repeat protein 5
著者Min, J.R, Schuetz, A, Allali-Hassani, A, Martin, F, Loppnau, P, Vedadi, M, Weigelt, J, Sundstrom, M, Edwards, A.M, Arrowsmith, C.H, Bochkarev, A, Plotnikov, A.N, Structural Genomics Consortium (SGC)
登録日2006-06-10
公開日2006-08-01
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural basis for molecular recognition and presentation of histone H3 By WDR5.
Embo J., 25, 2006
2H9M
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WDR5 in complex with unmodified H3K4 peptide
分子名称: H3 histone, WD-repeat protein 5
著者Min, J.R, Schuetz, A, Allali-Hassani, A, Martin, F, Loppnau, P, Vedadi, M, Weigelt, J, Sundstrom, M, Edwards, A.M, Arrowsmith, C.H, Bochkarev, A, Plotnikov, A.N, Structural Genomics Consortium (SGC)
登録日2006-06-10
公開日2006-08-01
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural basis for molecular recognition and presentation of histone H3 By WDR5.
Embo J., 25, 2006
2GNQ
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Structure of wdr5
分子名称: CHLORIDE ION, WD-repeat protein 5
著者Min, J, Schuetz, A, Allali-Hassani, A, Loppnau, P, Vedadi, M, Weigelt, J, Sundstrom, M, Edwards, A.M, Arrowsmith, C.H, Bochkarev, A, Plotnikov, A.N, Structural Genomics Consortium (SGC)
登録日2006-04-10
公開日2006-06-06
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural basis for molecular recognition and presentation of histone H3 By WDR5.
Embo J., 25, 2006
2H9N
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WDR5 in complex with monomethylated H3K4 peptide
分子名称: H3 histone, WD-repeat protein 5
著者Min, J.R, Schuetz, A, Allali-Hassani, A, Martin, F, Loppnau, P, Vedadi, M, Weigelt, J, Sundstrom, M, Edwards, A.M, Arrowsmith, C.H, Bochkarev, A, Plotnikov, A.N, Structural Genomics Consortium (SGC)
登録日2006-06-10
公開日2006-08-01
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural basis for molecular recognition and presentation of histone H3 By WDR5.
Embo J., 25, 2006
3F70
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Crystal structure of L3MBTL2-H4K20me1 complex
分子名称: Lethal(3)malignant brain tumor-like 2 protein, N-METHYL-LYSINE
著者Guo, Y, Qi, C, Allali-Hassani, A, Pan, P, Zhu, H, Dong, A, Mackenzie, F, Crombet, L, Loppnau, P, Kozieradzki, I, Vedadi, M, Edwards, A.M, Weigelt, J, Bountra, C, Arrowsmith, C.H, Botchkarev, A, Read, R, Min, J, Structural Genomics Consortium (SGC)
登録日2008-11-07
公開日2009-01-06
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Methylation-state-specific recognition of histones by the MBT repeat protein L3MBTL2.
Nucleic Acids Res., 37, 2009
3CEY
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Crystal structure of L3MBTL2
分子名称: Lethal(3)malignant brain tumor-like 2 protein
著者Nady, N, Guo, Y, Pan, P, Allali-Hassani, A, Qi, C, Zhu, H, Dong, A, Mackenzie, F, Crombet, L, Loppnau, P, Kozieradzki, I, Vedadi, M, Edwards, A.M, Weigelt, J, Bountra, C, Arrowsmith, C.H, Bochkarev, A, Read, R, Min, J, Structural Genomics Consortium (SGC)
登録日2008-02-29
公開日2008-05-06
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Methylation-state-specific recognition of histones by the MBT repeat protein L3MBTL2.
Nucleic Acids Res., 37, 2009

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