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6WSI
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BU of 6wsi by Molmil
Intact cis-2,3-epoxysuccinic acid bound to Isocitrate Lyase-1 from Mycobacterium tuberculosis
分子名称: (2R,3S)-oxirane-2,3-dicarboxylic acid, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Krieger, I.V, Mellott, D, Meek, T.D, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
登録日2020-05-01
公開日2021-03-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.749 Å)
主引用文献Covalent Inactivation of Mycobacterium tuberculosis Isocitrate Lyase by cis -2,3-Epoxy-Succinic Acid.
Acs Chem.Biol., 16, 2021
2L7R
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BU of 2l7r by Molmil
Solution NMR structure of N-terminal Ubiquitin-like domain of FUBI, a ribosomal protein S30 precursor from Homo sapiens. NorthEast Structural Genomics consortium (NESG) target HR6166
分子名称: Ubiquitin-like protein FUBI
著者Lemak, A, Yee, A, Houliston, S, Semesi, A, Doherty, R, Dhe-Paganon, S, Montelione, G.T, Arrowsmith, C, Northeast Structural Genomics Consortium (NESG), Structural Genomics Consortium (SGC)
登録日2010-12-20
公開日2011-01-05
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Solution NMR structure of N-terminal Ubiquitin-like domain of FUBI, a ribosomal protein S30 precursor from Homo sapiens. NorthEast Structural Genomics consortium (NESG) target HR6166
To be Published
2H9N
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BU of 2h9n by Molmil
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
3LLR
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BU of 3llr by Molmil
Crystal structure of the PWWP domain of Human DNA (cytosine-5-)-methyltransferase 3 alpha
分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DNA (cytosine-5)-methyltransferase 3A, SULFATE ION
著者Qiu, W, Dombrovski, L, Ni, S, Weigelt, J, Boutra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Wu, H, Structural Genomics Consortium (SGC)
登録日2010-01-29
公開日2010-03-23
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural and histone binding ability characterizations of human PWWP domains.
Plos One, 6, 2011
2HTE
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BU of 2hte by Molmil
The crystal structure of spermidine synthase from p. falciparum in complex with 5'-methylthioadenosine
分子名称: 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, 5'-DEOXY-5'-METHYLTHIOADENOSINE, SULFATE ION, ...
著者Qiu, W, Dong, A, Ren, H, Wu, H, Wasney, G, Vedadi, M, Lew, J, Kozieradski, I, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Sundstrom, M, Plotnikov, A.N, Bochkarev, A, Hui, R, Structural Genomics Consortium (SGC)
登録日2006-07-25
公開日2006-08-08
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Genome-scale protein expression and structural biology of Plasmodium falciparum and related Apicomplexan organisms.
Mol.Biochem.Parasitol., 151, 2007
3LM0
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BU of 3lm0 by Molmil
Crystal Structure of human Serine/Threonine Kinase 17B (STK17B)
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Serine/threonine-protein kinase 17B, ...
著者Ugochukwu, E, Soundararajan, M, Rellos, P, Fedorov, O, Phillips, C, Wang, J, Hapka, E, Filippakopoulos, P, Chaikuad, A, Pike, A.C.W, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Knapp, S, Structural Genomics Consortium (SGC)
登録日2010-01-29
公開日2010-03-16
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献

2I59
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Solution structure of RGS10
分子名称: Regulator of G-protein signaling 10
著者Fedorov, O, Higman, V.A, Diehl, A, Leidert, M, Lemak, A, Schmieder, P, Oschkinat, H, Elkins, J, Soundarajan, M, Doyle, D.A, Arrowsmith, C, Sundstrom, M, Weigelt, J, Edwards, A, Ball, L.J, Structural Genomics Consortium (SGC)
登録日2006-08-24
公開日2006-10-31
最終更新日2024-05-08
実験手法SOLUTION NMR
主引用文献Structural diversity in the RGS domain and its interaction with heterotrimeric G protein alpha-subunits.
Proc.Natl.Acad.Sci.Usa, 105, 2008
6CE8
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BU of 6ce8 by Molmil
Crystal structure of fragment 2-(Benzo[d]thiazol-2-yl)acetic acid bound in the ubiquitin binding pocket of the HDAC6 zinc-finger domain
分子名称: (1,3-benzothiazol-2-yl)acetic acid, Histone deacetylase 6, UNKNOWN ATOM OR ION, ...
著者Harding, R.J, Halabelian, L, Ferreira de Freitas, R, Ravichandran, M, Santhakumar, V, Schapira, M, Bountra, C, Edwards, A.M, Arrowsmith, C.M, Structural Genomics Consortium (SGC)
登録日2018-02-11
公開日2018-02-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Identification and Structure-Activity Relationship of HDAC6 Zinc-Finger Ubiquitin Binding Domain Inhibitors.
J. Med. Chem., 61, 2018
6CEC
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BU of 6cec by Molmil
Crystal structure of fragment 3-(3-Methoxy-2-quinoxalinyl)propanoic acid bound in the ubiquitin binding pocket of the HDAC6 zinc-finger domain
分子名称: 3-(3-methoxyquinoxalin-2-yl)propanoic acid, Histone deacetylase 6, UNKNOWN ATOM OR ION, ...
著者Harding, R.J, Halabelian, L, Ferreira de Freitas, R, Franzoni, I, Ravichandran, M, Lautens, M, Santhakumar, V, Schapira, M, Bountra, C, Edwards, A.M, Arrowsmith, C.M, Structural Genomics Consortium (SGC)
登録日2018-02-11
公開日2018-02-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Identification and Structure-Activity Relationship of HDAC6 Zinc-Finger Ubiquitin Binding Domain Inhibitors.
J. Med. Chem., 61, 2018
6CEF
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BU of 6cef by Molmil
Crystal structure of fragment 3-(1,3-Benzothiazol-2-yl)propanoic acid bound in the ubiquitin binding pocket of the HDAC6 zinc-finger domain
分子名称: 3-(1,3-benzothiazol-2-yl)propanoic acid, Histone deacetylase 6, UNKNOWN ATOM OR ION, ...
著者Harding, R.J, Halabelian, L, Ferreira de Freitas, R, Ravichandran, M, Santhakumar, V, Schapira, M, Bountra, C, Edwards, A.M, Arrowsmith, C.M, Structural Genomics Consortium (SGC)
登録日2018-02-11
公開日2018-02-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Identification and Structure-Activity Relationship of HDAC6 Zinc-Finger Ubiquitin Binding Domain Inhibitors.
J. Med. Chem., 61, 2018
4O46
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BU of 4o46 by Molmil
14-3-3-gamma in complex with influenza NS1 C-terminal tail phosphorylated at S228
分子名称: 14-3-3 protein gamma, Nonstructural protein 1, UNKNOWN ATOM OR ION, ...
著者Qin, S, Liu, Y, Tempel, W, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2013-12-18
公開日2014-04-30
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural basis for histone mimicry and hijacking of host proteins by influenza virus protein NS1.
Nat Commun, 5, 2014
3LM5
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BU of 3lm5 by Molmil
Crystal Structure of human Serine/Threonine Kinase 17B (STK17B) in complex with Quercetin
分子名称: 3,5,7,3',4'-PENTAHYDROXYFLAVONE, Serine/threonine-protein kinase 17B
著者Ugochukwu, E, Soundararajan, M, Rellos, P, Fedorov, O, Phillips, C, Wang, J, Hapka, E, Filippakopoulos, P, Chaikuad, A, Pike, A.C.W, Carpenter, L, Vollmar, M, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Knapp, S, Structural Genomics Consortium (SGC)
登録日2010-01-29
公開日2010-03-16
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献A Chemical Probe for Dark Kinase STK17B Derives Its Potency and High Selectivity through a Unique P-Loop Conformation.
J.Med.Chem., 63, 2020
4O42
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Tandem chromodomains of human CHD1 in complex with influenza NS1 C-terminal tail dimethylated at K229
分子名称: Chromodomain-helicase-DNA-binding protein 1, GLYCEROL, Nonstructural protein 1, ...
著者Qin, S, Xu, C, Tempel, W, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2013-12-18
公開日2014-04-16
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Structural basis for histone mimicry and hijacking of host proteins by influenza virus protein NS1.
Nat Commun, 5, 2014
2H9P
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BU of 2h9p by Molmil
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
2HEH
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BU of 2heh by Molmil
Crystal Structure of the KIF2C motor domain
分子名称: ADENOSINE-5'-DIPHOSPHATE, KIF2C protein, MAGNESIUM ION, ...
著者Wang, J, Shen, Y, Tempel, W, Landry, R, Arrowsmith, C.H, Edwards, A.M, Sundstrom, M, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC)
登録日2006-06-21
公開日2006-07-18
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Crystal structure of the kif2c motor domain
to be published
4L59
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BU of 4l59 by Molmil
Crystal structure of the 3-MBT repeat domain of L3MBTL3 and UNC2533 complex
分子名称: 4-(pyrrolidin-1-yl)-1-{4-[2-(pyrrolidin-1-yl)ethyl]phenyl}piperidine, Lethal(3)malignant brain tumor-like protein 3, SULFATE ION, ...
著者Zhong, N, Dong, A, Ravichandran, M, Camerino, M.A, Dickson, B.M, James, L.I, Baughman, B.M, Norris, J.L, Kireev, D.B, Janzen, W.P, Graslund, S, Frye, S.V, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Brown, P.J, Structural Genomics Consortium (SGC)
登録日2013-06-10
公開日2013-07-10
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献The structure-activity relationships of L3MBTL3 inhibitors: flexibility of the dimer interface.
Medchemcomm, 4, 2013
3LWK
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BU of 3lwk by Molmil
Crystal structure of human Beta-crystallin A4 (CRYBA4)
分子名称: Beta-crystallin A4, GLYCEROL, PHOSPHATE ION
著者Chaikuad, A, Shafqat, N, Krojer, T, Yue, W.W, Cocking, R, Vollmar, M, Muniz, J.R.C, Pike, A.C.W, Arrowsmith, C.H, Weigelt, J, Edwards, A.M, Bountra, C, Oppermann, U, Structural Genomics Consortium (SGC)
登録日2010-02-24
公開日2010-03-16
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure of human Beta-crystallin A4 (CRYBA4)
To be Published
3LYI
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PWWP Domain of Human Bromodomain-Containing Protein 1
分子名称: Bromodomain-containing protein 1, CYSTEINESULFONIC ACID
著者Lam, R, Zeng, H, Ni, S, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J, Wu, H, Structural Genomics Consortium (SGC)
登録日2010-02-26
公開日2010-03-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural and histone binding ability characterizations of human PWWP domains.
Plos One, 6, 2011
2IHD
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BU of 2ihd by Molmil
Crystal structure of Human Regulator of G-protein signaling 8, RGS8
分子名称: CHLORIDE ION, Regulator of G-protein signaling 8
著者Turnbull, A.P, Papagrigoriou, E, Ugochukwu, E, Salah, E, Gileadi, C, Burgess, N, Bhatia, C, Gileadi, O, Bray, J, Elkins, J, von Delft, F, Weigelt, J, Edwards, A, Arrowsmith, C, Sundstrom, M, Doyle, D.A, Structural Genomics Consortium (SGC)
登録日2006-09-26
公開日2006-11-21
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural diversity in the RGS domain and its interaction with heterotrimeric G protein alpha-subunits.
Proc.Natl.Acad.Sci.Usa, 105, 2008
2IK8
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Crystal structure of the heterodimeric complex of human RGS16 and activated Gi alpha 1
分子名称: GUANOSINE-5'-DIPHOSPHATE, Guanine nucleotide-binding protein G(i), alpha-1 subunit, ...
著者Soundararajan, M, Turnbull, A.P, Papagrigoriou, E, Debreczeni, J, Gorrec, F, von Delft, F, Weigelt, J, Edwards, A, Arrowsmith, C, Sundstrom, M, Doyle, D.A, Structural Genomics Consortium (SGC)
登録日2006-10-02
公開日2006-11-21
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.71 Å)
主引用文献Structural diversity in the RGS domain and its interaction with heterotrimeric G protein alpha-subunits.
Proc.Natl.Acad.Sci.Usa, 105, 2008
3TB2
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1-Cys peroxidoxin from Plasmodium Yoelli
分子名称: 1,2-ETHANEDIOL, 1-Cys peroxiredoxin, GLYCEROL, ...
著者Qiu, W, Artz, J.D, Vedadi, M, Sharma, S, Houston, S, Lew, J, Wasney, G, Amani, M, Xu, X, Bray, J, Sundstrom, M, Arrowsmith, C, Edwards, A, Hui, R, Bochkarev, A, Structural Genomics Consortium (SGC)
登録日2011-08-04
公開日2011-10-19
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Genome-scale protein expression and structural biology of Plasmodium falciparum and related Apicomplexan organisms.
Mol.Biochem.Parasitol., 151, 2007
3MQ4
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Metabotropic glutamate receptor mGluR7 complexed with LY341495 antagonist
分子名称: 2-[(1S,2S)-2-carboxycyclopropyl]-3-(9H-xanthen-9-yl)-D-alanine, MAGNESIUM ION, Metabotropic glutamate receptor 7
著者Dobrovetsky, E, Khutoreskaya, G, Seitova, A, He, H, Weigelt, J, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Cossar, D, Bochkarev, A, Structural Genomics Consortium (SGC)
登録日2010-04-27
公開日2010-06-09
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献mGluR7 complexed with LY341495
To be Published
6CE6
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Structure of HDAC6 zinc-finger ubiquitin binding domain soaked with 3,3'-(benzo[1,2-d:5,4-d']bis(thiazole)-2,6-diyl)dipropionic acid
分子名称: 3,3'-(benzo[1,2-d:5,4-d']bis[1,3]thiazole-2,6-diyl)dipropanoic acid, Histone deacetylase 6, UNKNOWN ATOM OR ION, ...
著者Harding, R.J, Halabelian, L, Ferreira de Freitas, R, Ravichandran, M, Santhakumar, V, Schapira, M, Bountra, C, Edwards, A.M, Arrowsmith, C.M, Structural Genomics Consortium (SGC)
登録日2018-02-11
公開日2018-02-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Identification and Structure-Activity Relationship of HDAC6 Zinc-Finger Ubiquitin Binding Domain Inhibitors.
J. Med. Chem., 61, 2018
6CED
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Crystal structure of fragment 3-(3-Methyl-4-oxo-3,4-dihydroquinazolin-2-yl)propanoic acid bound in the ubiquitin binding pocket of the HDAC6 zinc-finger domain
分子名称: 3-(3-methyl-4-oxo-3,4-dihydroquinazolin-2-yl)propanoic acid, Histone deacetylase 6, UNKNOWN ATOM OR ION, ...
著者Harding, R.J, Halabelian, L, Ferreira de Freitas, R, Franzoni, I, Ravichandran, M, Lautens, M, Santhakumar, V, Schapira, M, Bountra, C, Edwards, A.M, Arrowsmith, C.M, Structural Genomics Consortium (SGC)
登録日2018-02-11
公開日2018-02-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Identification and Structure-Activity Relationship of HDAC6 Zinc-Finger Ubiquitin Binding Domain Inhibitors.
J. Med. Chem., 61, 2018
3CEQ
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The TPR domain of Human Kinesin Light Chain 2 (hKLC2)
分子名称: Kinesin light chain 2
著者Zhu, H, Shen, Y, MacKenzie, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC)
登録日2008-02-29
公開日2008-08-12
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献The TPR domain of Human Kinesin Light Chain 2 (hKLC2)
To be Published

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