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3QKI
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BU of 3qki by Molmil
Crystal structure of Glucose-6-Phosphate Isomerase (PF14_0341) from Plasmodium falciparum 3D7
分子名称: Glucose-6-phosphate isomerase
著者Gileadi, T, Wernimont, A.K, Hutchinson, A, Weadge, J, Cossar, D, Lew, J, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Hui, R, Hills, T, Pizarro, J.C, Structural Genomics Consortium (SGC)
登録日2011-02-01
公開日2011-02-16
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Crystal structure of Glucose-6-Phosphate Isomerase (PF14_0341) from Plasmodium falciparum 3D7
TO BE PUBLISHED
3OP0
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BU of 3op0 by Molmil
Crystal structure of Cbl-c (Cbl-3) TKB domain in complex with EGFR pY1069 peptide
分子名称: Epidermal growth factor receptor, NICKEL (II) ION, SODIUM ION, ...
著者Chaikuad, A, Guo, K, Cooper, C.D.O, Ayinampudi, V, Krojer, T, Ugochukwu, E, Muniz, J.R.C, Vollmar, M, Canning, P, von Delft, F, Arrowsmith, C.H, Weigelt, J, Edwards, A.M, Bountra, C, Bullock, A, Structural Genomics Consortium (SGC)
登録日2010-08-31
公開日2010-10-20
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.52 Å)
主引用文献Crystal structure of Cbl-c (Cbl-3) TKB domain in complex with EGFR pY1069 peptide
To be Published
3ORH
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BU of 3orh by Molmil
Human guanidinoacetate N-methyltransferase with SAH
分子名称: Guanidinoacetate N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
著者Dong, A, Wu, H, Zeng, H, Loppnau, P, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Plotnikov, A.N, Structural Genomics Consortium (SGC)
登録日2010-09-07
公開日2010-09-15
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献The crystal structure of human guanidinoacetate N-methyltransferase with SAH
TO BE PUBLISHED
3DCP
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BU of 3dcp by Molmil
Crystal structure of the putative histidinol phosphatase hisK from Listeria monocytogenes. Northeast Structural Genomics Consortium target LmR141.
分子名称: FE (III) ION, Histidinol-phosphatase, ZINC ION
著者Vorobiev, S.M, Su, M, Seetharaman, J, Zhao, L, Mao, L, Foote, E.L, Xiao, R, Nair, R, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
登録日2008-06-04
公開日2008-07-29
最終更新日2017-10-25
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of the putative histidinol phosphatase hisK from Listeria monocytogenes.
To be Published
3ONI
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BU of 3oni by Molmil
Crystal Structure of the second bromodomain of human BRD2 in complex with the inhibitor JQ1
分子名称: (6S)-6-(2-tert-butoxy-2-oxoethyl)-4-(4-chlorophenyl)-2,3,9-trimethyl-6,7-dihydrothieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-10-ium, 1,2-ETHANEDIOL, Bromodomain containing 2, ...
著者Filippakopoulos, P, Picaud, S, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Bradner, J.E, Structural Genomics Consortium (SGC)
登録日2010-08-29
公開日2010-10-06
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献Selective inhibition of BET bromodomains.
Nature, 468, 2010
3DHN
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BU of 3dhn by Molmil
Crystal structure of the putative epimerase Q89Z24_BACTN from Bacteroides thetaiotaomicron. Northeast Structural Genomics Consortium target BtR310.
分子名称: NAD-dependent epimerase/dehydratase
著者Vorobiev, S.M, Su, M, Seetharaman, J, Wang, D, Ciccosanti, C, Foote, L.E, Janjua, H, Xiao, R, Acton, T, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
登録日2008-06-18
公開日2008-08-12
最終更新日2017-10-25
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of the putative epimerase Q89Z24_BACTN from Bacteroides thetaiotaomicron.
To be Published
3PEH
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BU of 3peh by Molmil
Crystal Structure of the N-terminal domain of an HSP90 from Plasmodium Falciparum, PFL1070c in the presence of a thienopyrimidine derivative
分子名称: 2-amino-4-{2,4-dichloro-5-[2-(diethylamino)ethoxy]phenyl}-N-ethylthieno[2,3-d]pyrimidine-6-carboxamide, Endoplasmin homolog, SULFATE ION
著者Wernimont, A.K, Tempel, W, Hutchinson, A, Weadge, J, Cossar, D, MacKenzie, F, Vedadi, M, Senisterra, G, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Wyatt, P.G, Fairlamb, A.H, MacKenzie, C, Ferguson, M.A.J, Hui, R, Pizarro, J.C, Hills, T, Structural Genomics Consortium (SGC)
登録日2010-10-26
公開日2010-11-17
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Crystal Structure of the N-terminal domain of an HSP90 from Plasmodium Falciparum, PFL1070c in the presence of a thienopyrimidine derivative
To be Published
3PMI
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BU of 3pmi by Molmil
PWWP Domain of Human Mutated Melanoma-Associated Antigen 1
分子名称: DI(HYDROXYETHYL)ETHER, PWWP domain-containing protein MUM1, SULFATE ION, ...
著者Lam, R, Zeng, H, Loppnau, P, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J, Wu, H, Structural Genomics Consortium (SGC)
登録日2010-11-17
公開日2010-12-15
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (2.82 Å)
主引用文献Structural and histone binding ability characterizations of human PWWP domains.
Plos One, 6, 2011
2F5Y
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BU of 2f5y by Molmil
Crystal Structure of the PDZ Domain from Human RGS-3
分子名称: SULFATE ION, regulator of G-protein signalling 3 isoform 1
著者Ugochukwu, E, Berridge, G, Johansson, C, Smee, C, Savitsky, P, Burgess, N, Colebrook, S, Yang, X, Elkins, J, Doyle, D, Turnbull, A, Papagrigoriou, E, Debreczeni, J, Bunkoczi, G, Gorrec, F, von Delft, F, Arrowsmith, C, Sundstrom, M, Weigelt, J, Edwards, A, Structural Genomics Consortium (SGC)
登録日2005-11-28
公開日2005-12-13
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Crystal Structure of the PDZ Domain from Human RGS-3
To be Published
3Q93
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BU of 3q93 by Molmil
Crystal Structure of Human 8-oxo-dGTPase (MTH1)
分子名称: 7,8-dihydro-8-oxoguanine triphosphatase, GLYCEROL, IMIDAZOLE, ...
著者Tresaugues, L, Siponen, M.I, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Ekblad, T, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Karlberg, T, Kol, S, Kotenyova, T, Kouznetsova, E, Moche, M, Nyman, T, Persson, C, Schuler, H, Schutz, P, Thorsell, A.G, Van Der Berg, S, Wahlberg, E, Weigelt, J, Welin, M, Nordlund, P, Structural Genomics Consortium (SGC)
登録日2011-01-07
公開日2011-03-02
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal Structure of Human 8-oxo-dGTPase (MTH1)
To be Published
3QVB
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BU of 3qvb by Molmil
Crystal Structure of Human Glycogenin-1 (GYG1) complexed with manganese and UDP
分子名称: 1,2-ETHANEDIOL, Glycogenin-1, MANGANESE (II) ION, ...
著者Chaikuad, A, Froese, D.S, Yue, W.W, Krysztofinska, E, von Delft, F, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Oppermann, U, Structural Genomics Consortium (SGC)
登録日2011-02-25
公開日2011-03-23
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Conformational plasticity of glycogenin and its maltosaccharide substrate during glycogen biogenesis.
Proc.Natl.Acad.Sci.USA, 108, 2011
3Q5K
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BU of 3q5k by Molmil
Crystal structure of the amino-terminal domain of HSP90 from Leishmania major, LMJF33.0312:M1-K213 in the presence of an inhibitor
分子名称: 4-[6,6-dimethyl-4-oxo-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]-2-{[2-(methylsulfanyl)ethyl]amino}benzamide, Heat shock protein 83-1
著者Wernimont, A.K, Tempel, W, Lin, Y.H, Hutchinson, A, MacKenzie, F, Fairlamb, A, Cossar, D, Zhao, Y, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Ferguson, M.A.J, Hui, R, Pizarro, J.C, Hills, T, Structural Genomics Consortium (SGC)
登録日2010-12-28
公開日2011-02-23
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Crystal structure of the amino-terminal domain of HSP90 from Leishmania major, LMJF33.0312:M1-K213 in the presence of an inhibitor
To be Published
4G2R
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BU of 4g2r by Molmil
Crystal Structure of the carboxyltransferase subunit of ACC (AccD6) in complex with inhibitor haloxyfop from Mycobacterium tuberculosis
分子名称: (2R)-2-(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoic acid, AccD6, Carboxyltransferase beta-subunit of Acyl-CoA Carboxylase
著者Reddy, M.C.M, Bruning, J.B, Thurman, C, Sherekar, M, Valluru, S, Ehrenfeld, H, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
登録日2012-07-12
公開日2014-02-19
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Structure, Activity, and Inhibition of the Carboxyltransferase beta-Subunit of Acetyl Coenzyme A Carboxylase (AccD6) from Mycobacterium tuberculosis.
Antimicrob.Agents Chemother., 58, 2014
3Q63
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BU of 3q63 by Molmil
X-ray crystal structure of protein MLL2253 from Mesorhizobium loti, Northeast Structural Genomics Consortium Target MlR404.
分子名称: Mll2253 protein
著者Forouhar, F, Lew, S, Seetharaman, J, Wang, D, Ciccosanti, C, Sahdev, S, Nair, R, Rost, B, Acton, T.B, Xiao, R, Everett, J.K, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
登録日2010-12-30
公開日2011-01-12
最終更新日2012-02-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献X-ray crystal structure of protein MLL2253 from Mesorhizobium loti, Northeast Structural Genomics Consortium Target MlR404.
To be Published
4HHU
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BU of 4hhu by Molmil
Crystal Structure of Engineered Protein. Northeast Structural Genomics Consortium Target OR280.
分子名称: 3,6,9,12,15-PENTAOXAHEPTADECAN-1-OL, OR280, TETRAETHYLENE GLYCOL
著者Vorobiev, S, Lew, S, Lin, Y.-R, Seetharaman, J, Castelllanos, J, Maglaqui, M, Xiao, R, Lee, D, Koga, N, Koga, R, Everett, J.K, Acton, T.B, Baker, D, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
登録日2012-10-10
公開日2012-10-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structure of Engineered Protein OR280.
To be Published
3NIZ
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BU of 3niz by Molmil
Cryptosporidium parvum cyclin-dependent kinase cgd5_2510 with ADP bound.
分子名称: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Rhodanese family protein
著者Wernimont, A.K, Dong, A, Lew, J, Lin, Y.H, Hassanali, A, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Bochkarev, A, Hui, R, Artz, J.D, Structural Genomics Consortium (SGC)
登録日2010-06-16
公開日2010-07-28
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Cryptosporidium parvum cyclin-dependent kinase cgd5_2510 with ADP bound.
To be Published
4ER5
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BU of 4er5 by Molmil
Crystal structure of human DOT1L in complex with 2 molecules of EPZ004777
分子名称: 7-{5-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]-5-deoxy-beta-D-ribofuranosyl}-7H-pyrrolo[2,3-d]pyrimidin-4-amine, Histone-lysine N-methyltransferase, H3 lysine-79 specific, ...
著者Wernimont, A.K, Tempel, W, Yu, W, Scopton, A, Li, Y, Nguyen, K.T, Federation, A, Marineau, J, Qi, J, Vedadi, M, Bradner, J.E, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brown, P.J, Structural Genomics Consortium (SGC)
登録日2012-04-19
公開日2012-05-16
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.57 Å)
主引用文献Catalytic site remodelling of the DOT1L methyltransferase by selective inhibitors.
Nat Commun, 3, 2012
2DFD
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BU of 2dfd by Molmil
Crystal Structure of Human Malate Dehydrogenase Type 2
分子名称: ALANINE, CHLORIDE ION, D-MALATE, ...
著者Ugochukwu, E, Shafqat, N, Rojkova, A, Sundstrom, M, Arrowsmith, C, Weigelt, J, Edwards, A, von Delft, F, Oppermann, U, Structural Genomics Consortium (SGC)
登録日2006-02-28
公開日2006-03-28
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal Structure of Human Malate Dehydrogenase Type 2
To be Published
4E74
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Crystal structure of the RHO GTPASE BINDING DOMAIN of Plexin A4A
分子名称: Plexin-A4, UNKNOWN ATOM OR ION
著者Guan, X, Wang, H, Tempel, W, Dong, A, Tong, Y, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Park, H, Structural Genomics Consortium (SGC)
登録日2012-03-16
公開日2012-03-28
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Crystal structure of the RHO GTPASE BINDING DOMAIN of Plexin A4A
to be published
2Z77
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BU of 2z77 by Molmil
X-ray crystal structure of RV0760c from Mycobacterium tuberculosis in complex with estradiol-17beta-hemisuccinate
分子名称: 4-{[(14beta,17alpha)-3-hydroxyestra-1,3,5(10)-trien-17-yl]oxy}-4-oxobutanoic acid, ACETATE ION, NICOTINAMIDE, ...
著者Cherney, M.M, Garen, C.R, James, M.N.G, TB Structural Genomics Consortium (TBSGC)
登録日2007-08-16
公開日2007-09-18
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Crystal structure of Mycobacterium tuberculosis Rv0760c at 1.50 A resolution, a structural homolog of Delta(5)-3-ketosteroid isomerase.
Biochim.Biophys.Acta, 1784, 2008
5TE0
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BU of 5te0 by Molmil
Crystal Structure of Adaptor Protein 2 Associated Kinase (AAK1) in complex with BIBF 1120
分子名称: AP2-associated protein kinase 1, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Counago, R.M, Elkins, J.M, Bountra, C, Arruda, P, Edwards, A.M, Gileadi, O, Structural Genomics Consortium (SGC)
登録日2016-09-20
公開日2016-11-02
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal Structure of Adaptor Protein 2 Associated Kinase (AAK1) in complex with BIBF 1120
To Be Published
2MA8
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BU of 2ma8 by Molmil
Solution NMR Structure of Salmonella typhimurium LT2 Secreted Protein SrfN: Northeast Structural Genomics Consortium Target StR109
分子名称: Putative secreted protein
著者Cort, J.R, Eletsky, A, Adkins, J.N, Burnet, M.C, Parish, D, Liu, K, Sukumaran, D.K, Jiang, M, Cunningham, K, Ma, T, Xiao, R, Rost, B, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG)
登録日2013-06-29
公開日2013-09-04
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural and Functional Characterization of DUF1471 Domains of Salmonella Proteins SrfN, YdgH/SssB, and YahO.
Plos One, 9, 2014
5TB6
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BU of 5tb6 by Molmil
Structure of bromodomain of CREBBP with a pyrazolo[4,3-c]pyridin fragment
分子名称: 1,2-ETHANEDIOL, 1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propan-1-one, CREB-binding protein
著者Filippakopoulos, P, Picaud, S, Knapp, S, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Structural Genomics Consortium (SGC)
登録日2016-09-11
公開日2016-10-12
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Discovery of New Bromodomain Scaffolds by Biosensor Fragment Screening.
ACS Med Chem Lett, 7, 2016
4IOH
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Crystal Structure of the Tll1086 protein from Thermosynechococcus elongatus, Northeast Structural Genomics Consortium Target TeR258
分子名称: Tll1086 protein
著者Vorobiev, S, Su, M, Seetharaman, J, Maglaqui, M, Xiao, X, Kohan, E, Wang, D, Everett, J.K, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
登録日2013-01-07
公開日2013-01-30
最終更新日2013-11-20
実験手法X-RAY DIFFRACTION (2.53 Å)
主引用文献Crystal Structure of the Tll1086 protein from Thermosynechococcus elongatus.
To be Published
5TTF
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BU of 5ttf by Molmil
Crystal structure of catalytic domain of G9a with MS012
分子名称: CHLORIDE ION, Histone-lysine N-methyltransferase EHMT2, N4-(1-methylpiperidin-4-yl)-N2-hexyl-6,7-dimethoxyquinazoline-2,4-diamine, ...
著者DONG, A, ZENG, H, LIU, J, XIONG, Y, BABAULT, N, JIN, J, TEMPEL, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, WU, H, BROWN, P.J, Structural Genomics Consortium (SGC)
登録日2016-11-03
公開日2016-12-21
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Discovery of Potent and Selective Inhibitors for G9a-Like Protein (GLP) Lysine Methyltransferase.
J. Med. Chem., 60, 2017

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