8PJI
 
 | | MLLT1 in complex with compound 10a | | Descriptor: | 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, Protein ENL, ... | | Authors: | Raux, B, Diaz-Saez, L, Huber, K.V.M, Fedorov, O, Owen, D.R, Londregan, A.T, Bountra, C, Edwards, A, Arrowsmith, C. | | Deposit date: | 2023-06-23 | | Release date: | 2023-11-22 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Discovery of PFI-6, a small-molecule chemical probe for the YEATS domain of MLLT1 and MLLT3.
Bioorg.Med.Chem.Lett., 98, 2023
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8PJ7
 | | MLLT3 in complex with compound PFI-6 | | Descriptor: | 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, PHOSPHATE ION, ... | | Authors: | Raux, B, Diaz-Saez, L, Huber, K.V.M, Fedorov, O, Owen, D.R, Londregan, A.T, Bountra, C, Edwards, A, Arrowsmith, C. | | Deposit date: | 2023-06-22 | | Release date: | 2023-11-22 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.26 Å) | | Cite: | Discovery of PFI-6, a small-molecule chemical probe for the YEATS domain of MLLT1 and MLLT3.
Bioorg.Med.Chem.Lett., 98, 2023
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6ZFH
 | | Structure of human galactokinase in complex with galactose and 2'-(benzo[d]oxazol-2-ylamino)-7',8'-dihydro-1'H-spiro[cyclopentane-1,4'-quinazolin]-5'(6'H)-one | | Descriptor: | 2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclopentane]-5-one, Galactokinase, beta-D-galactopyranose | | Authors: | Bezerra, G.A, Mackinnon, S, Zhang, M, Foster, W, Bailey, H, Arrowsmith, C, Edwards, A, Bountra, C, Lai, K, Yue, W.W, Structural Genomics Consortium (SGC) | | Deposit date: | 2020-06-17 | | Release date: | 2021-06-30 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.439 Å) | | Cite: | Fragment Screening Reveals Starting Points for Rational Design of Galactokinase 1 Inhibitors to Treat Classic Galactosemia.
Acs Chem.Biol., 16, 2021
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2A72
 | | Structure of the regulator of G-protein signaling domain of RGS7 | | Descriptor: | CHLORIDE ION, Regulator of G-protein signalling 7 | | Authors: | Schoch, G.A, Johansson, C, Phillips, C, Debreczeni, J, Smee, C, Elkins, J.M, Sundstrom, M, Edwards, A, Arrowsmith, C, von Delft, F, Gileadi, O, Doyle, D.A, Structural Genomics Consortium (SGC) | | Deposit date: | 2005-07-04 | | Release date: | 2005-07-12 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural diversity in the RGS domain and its interaction with heterotrimeric G protein alpha-subunits.
Proc.Natl.Acad.Sci.Usa, 105, 2008
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2AF0
 | | Structure of the Regulator of G-Protein Signaling Domain of RGS2 | | Descriptor: | Regulator of G-protein signaling 2 | | Authors: | Papagrigoriou, E, Johannson, C, Phillips, C, Smee, C, Elkins, J.M, Weigelt, J, Arrowsmith, C, Edwards, A, Sundstrom, M, Von Delft, F, Doyle, D.A, Structural Genomics Consortium (SGC) | | Deposit date: | 2005-07-25 | | Release date: | 2005-08-02 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural diversity in the RGS domain and its interaction with heterotrimeric G protein alpha-subunits.
Proc.Natl.Acad.Sci.Usa, 105, 2008
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1CO0
 | | NMR STUDY OF TRP REPRESSOR-MTR OPERATOR DNA COMPLEX | | Descriptor: | 5'-D(*TP*GP*TP*AP*CP*CP*AP*GP*TP*AP*CP*AP*CP*GP*AP*GP*TP*AP*CP*A)-3', 5'-D(*TP*GP*TP*AP*CP*TP*CP*GP*TP*GP*TP*AP*CP*TP*GP*GP*TP*AP*CP*A)-3', TRP OPERON REPRESSOR, ... | | Authors: | Zhou, G.P, Brocchieri, L, Jardetzky, O. | | Deposit date: | 1999-05-30 | | Release date: | 2003-09-16 | | Last modified: | 2023-12-27 | | Method: | SOLUTION NMR | | Cite: | Allostery and Induced Fit, NMR and Molecular Modeling Study of the
trp-repressor - mtr DNA complex
Structures and Mechanisms, ACS Symposium Series, 827, 2002
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2BDD
 | | Crystal Structure of Holo-ACP-synthase from Plasmodium yoelii | | Descriptor: | ACP-synthase | | Authors: | Dong, A, Melone, M, Zhao, Y, Lew, J, Koeieradzki, I, Alam, Z, Wasney, G, Vedadi, M, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Sundstrom, M, Bochkarev, A, Hui, R, Amani, M, Structural Genomics Consortium (SGC) | | Deposit date: | 2005-10-20 | | Release date: | 2005-11-01 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Genome-scale protein expression and structural biology of Plasmodium falciparum and related Apicomplexan organisms.
Mol.Biochem.Parasitol., 151, 2007
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2AWP
 | | Crystal structure of Plasmodium knowlesi structure of Iron Super-Oxide Dismutase | | Descriptor: | CHLORIDE ION, Iron Super-Oxide Dismutase, UNKNOWN ATOM OR ION | | Authors: | Dong, A, Zhao, Y, Lew, J, Alam, Z, Melone, M, Wasney, G, Vedadi, M, Koeieradzki, I, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Sundstrom, M, Bochkarev, A, Hui, R, Amani, M, Structural Genomics Consortium (SGC) | | Deposit date: | 2005-09-01 | | Release date: | 2005-09-13 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Genome-scale protein expression and structural biology of Plasmodium falciparum and related Apicomplexan organisms.
Mol.Biochem.Parasitol., 151, 2007
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2AV4
 | | Crystal structure of Plasmodium yoelii thioredoxin-like protein 4A (DIM1) | | Descriptor: | CHLORIDE ION, Thioredoxin-like protein 4A (DIM1) | | Authors: | Dong, A, Zhao, Y, Lew, J, Alam, Z, Melone, M, Wasney, G, Vedadi, M, Koeieradzki, I, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Sundstrom, M, Bochkarev, A, Hui, R, Artz, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2005-08-29 | | Release date: | 2005-09-20 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Genome-scale protein expression and structural biology of Plasmodium falciparum and related Apicomplexan organisms.
Mol.Biochem.Parasitol., 151, 2007
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2AQW
 | | Structure of putative orotidine-monophosphate-decarboxylase from Plasmodium yoelii (PY01515) | | Descriptor: | IODIDE ION, SULFATE ION, putative orotidine-monophosphate-decarboxylase | | Authors: | Dong, A, Vedadi, M, Wasney, G, Zhao, Y, Lew, J, Alam, Z, Melone, M, Koeieradzki, I, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Sundstrom, M, Bochkarev, A, Hui, R, Amani, M, Structural Genomics Consortium (SGC) | | Deposit date: | 2005-08-18 | | Release date: | 2005-08-30 | | Last modified: | 2017-10-11 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Genome-scale protein expression and structural biology of Plasmodium falciparum and related Apicomplexan organisms.
Mol.Biochem.Parasitol., 151, 2007
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2AIF
 | | Crystal Structure of High Mobility Like Protein, NHP2, putative from Cryptosporidium parvum | | Descriptor: | ribosomal protein L7A | | Authors: | Dong, A, Zhao, Y, Lew, J, Alam, Z, Melone, M, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Sundstrom, M, Hui, R, Bochkarev, A, Artz, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2005-07-29 | | Release date: | 2005-08-09 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.895 Å) | | Cite: | Genome-scale protein expression and structural biology of Plasmodium falciparum and related Apicomplexan organisms.
Mol.Biochem.Parasitol., 151, 2007
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2B71
 | | Plasmodium yoelii cyclophilin-like protein | | Descriptor: | CHLORIDE ION, cyclophilin-like protein | | Authors: | Dong, A, Finerty, P, Wasney, G, Vedadi, M, Lew, J, Zhao, Y, Kozieradzki, I, Melone, M, Alam, Z, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Sundstrom, M, Bochkarev, A, Hui, R, Hills, T, Structural Genomics Consortium (SGC) | | Deposit date: | 2005-10-03 | | Release date: | 2005-10-11 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Genome-scale protein expression and structural biology of Plasmodium falciparum and related Apicomplexan organisms.
Mol.Biochem.Parasitol., 151, 2007
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2FFC
 | | Crystal Structure of Plasmodium Vivax Orotidine-Monophosphate-Decarboxyl UMP Bound | | Descriptor: | URIDINE-5'-MONOPHOSPHATE, orotidine 5-monophosphate decarboxylase | | Authors: | Dong, A, Wasney, G, Vedadi, M, Lew, J, Koeieradzki, I, Zhao, Y, Edwards, A.M, Melone, M, Arrowsmith, C.H, Weigelt, J, Sundstrom, M, Bochkarev, A, Hui, R, Amani, M, Structural Genomics Consortium (SGC) | | Deposit date: | 2005-12-19 | | Release date: | 2006-01-17 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Genome-scale protein expression and structural biology of Plasmodium falciparum and related Apicomplexan organisms.
Mol.Biochem.Parasitol., 151, 2007
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2KDB
 | | Solution Structure of human ubiquitin-like domain of Herpud2_9_85, Northeast Structural Genomics Consortium (NESG) target HT53A | | Descriptor: | Homocysteine-responsive endoplasmic reticulum-resident ubiquitin-like domain member 2 protein | | Authors: | Wu, B, Yee, A, Fares, C, Lemak, A, Gutmanas, A, Doherty, R, Semesi, A, Dhe-Paganon, S, Arrowsmith, C, Northeast Structural Genomics Consortium (NESG), Structural Genomics Consortium (SGC) | | Deposit date: | 2009-01-06 | | Release date: | 2009-02-10 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Structure of human homocysteine-inducible, endoplasmic reticulum stress-inducible, ubiquitin-like domain member 2 (Herpud2 or Herp)
To be Published
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5WOF
 | | 1.65 ANGSTROM STRUCTURE OF THE DYNEIN LIGHT CHAIN 1 FROM PLASMODIUM FALCIPARUM | | Descriptor: | Dynein light chain 1, putative | | Authors: | Walker, J.R, Lew, J, Amani, M, Alam, Z, Wasney, G, Boulanger, K, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Hui, R, Botchkarev, A, Vedadi, M, Structural Genomics Consortium (SGC) | | Deposit date: | 2017-08-02 | | Release date: | 2017-08-16 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Genome-scale Protein Expression and Structural Biology of
Plasmodium Falciparum and Related Apicomplexan Organisms.
MOL.BIOCHEM.PARASITOL., 151, 2007
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1JE3
 | | Solution Structure of EC005 from Escherichia coli | | Descriptor: | HYPOTHETICAL 8.6 KDA PROTEIN IN AMYA-FLIE INTERGENIC REGION | | Authors: | Yee, A, Gutierrez, P, Kozlov, G, Denisov, A, Gehring, K, Arrowsmith, C. | | Deposit date: | 2001-06-15 | | Release date: | 2002-03-06 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | An NMR approach to structural proteomics.
Proc.Natl.Acad.Sci.USA, 99, 2002
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7ZEJ
 | | Crystal structure of the human MGC45594 gene product in complex with celecoxib. | | Descriptor: | 4-[5-(4-METHYLPHENYL)-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-1-YL]BENZENESULFONAMIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Prostaglandin reductase 3 | | Authors: | Shafqat, N, Yue, W.W, Koekemoer, L, Niesen, F, Ugochukwu, E, Vollmar, M, Weigelt, J, Krojer, T, Pike, A, Chaikaud, A, Von Delft, F, Arrowsmith, C, Bountra, C, Edwards, A, Opperman, U, Structural Genomics Consortium (SGC) | | Deposit date: | 2022-03-31 | | Release date: | 2022-05-04 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Human prostaglandin/alkenal reductases: substrate specificities, inhibitor profiles, structural insights and subcellular localization suggest protective roles in inflammatory and oxidative stress conditions.
To Be Published
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1YLA
 | | Ubiquitin-conjugating enzyme E2-25 kDa (Huntington interacting protein 2) | | Descriptor: | Ubiquitin-conjugating enzyme E2-25 kDa | | Authors: | Choe, J, Avvakumov, G.V, Newman, E.M, Mackenzie, F, Kozieradzki, I, Bochkarev, A, Sundstrom, M, Arrowsmith, C, Edwards, A, Dhe-paganon, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2005-01-19 | | Release date: | 2005-02-01 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural basis of E2-25K/UBB+1 interaction leading to proteasome inhibition and neurotoxicity
J.Biol.Chem., 285, 2010
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7O2A
 | | X-RAY STRUCTURE OF SMYD3 IN COMPLEX WITH benzodiazepine-type inhibitor compound 15 | | Descriptor: | (2S)-1-(4-azanylpiperidin-1-yl)carbonyl-N-(2-cyclopropylethyl)-2-methyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide, Histone-lysine N-methyltransferase SMYD3, S-ADENOSYLMETHIONINE, ... | | Authors: | Steuber, H. | | Deposit date: | 2021-03-30 | | Release date: | 2021-07-07 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | Discovery of the SMYD3 Inhibitor BAY-6035 Using Thermal Shift Assay (TSA)-Based High-Throughput Screening.
Slas Discov, 26, 2021
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7O2B
 | | X-RAY STRUCTURE OF SMYD3 in complex with benzodiazepine-type inhibitor 6 | | Descriptor: | (2S)-N-butyl-1-(2-fluorophenyl)carbonyl-2-methyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide, Histone-lysine N-methyltransferase SMYD3, S-ADENOSYLMETHIONINE, ... | | Authors: | Steuber, H. | | Deposit date: | 2021-03-30 | | Release date: | 2021-07-07 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Discovery of the SMYD3 Inhibitor BAY-6035 Using Thermal Shift Assay (TSA)-Based High-Throughput Screening.
Slas Discov, 26, 2021
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7O2C
 | | X-RAY STRUCTURE OF SMYD3 IN COMPLEX WITH the benzodiazepine-based probe BAY-6035 | | Descriptor: | (2S)-1-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-3-yl]carbonyl]-N-(2-cyclopropylethyl)-2-methyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide, Histone-lysine N-methyltransferase SMYD3, S-ADENOSYLMETHIONINE, ... | | Authors: | Steuber, H. | | Deposit date: | 2021-03-30 | | Release date: | 2021-07-07 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | Discovery of the SMYD3 Inhibitor BAY-6035 Using Thermal Shift Assay (TSA)-Based High-Throughput Screening.
Slas Discov, 26, 2021
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2AWF
 | | Structure of human Ubiquitin-conjugating enzyme E2 G1 | | Descriptor: | Ubiquitin-conjugating enzyme E2 G1 | | Authors: | Walker, J.R, Avvakumov, G.V, Xue, S, Newman, E.M, Finerty, P, Mackenzie, F, Weigelt, J, Sundstrom, M, Arrowsmith, C, Edwards, A, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2005-09-01 | | Release date: | 2005-09-20 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | A human ubiquitin conjugating enzyme (E2)-HECT E3 ligase structure-function screen.
Mol Cell Proteomics, 11, 2012
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2F4W
 | | Human ubiquitin-conjugating enzyme E2 J2 | | Descriptor: | ubiquitin-conjugating enzyme E2, J2 | | Authors: | Walker, J.R, Avvakumov, G.V, Xue, S, Finerty Jr, P.J, Newman, E.M, Mackenzie, F, Weigelt, J, Sundstrom, M, Arrowsmith, C, Edwards, A, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2005-11-24 | | Release date: | 2005-12-27 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | A human ubiquitin conjugating enzyme (E2)-HECT E3 ligase structure-function screen.
Mol Cell Proteomics, 11, 2012
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2Q3E
 | | Structure of human UDP-glucose dehydrogenase complexed with NADH and UDP-glucose | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, CHLORIDE ION, UDP-glucose 6-dehydrogenase, ... | | Authors: | Kavanagh, K.L, Guo, K, Bunkoczi, G, Savitsky, P, Pilka, E, Bhatia, C, Smee, C, Berridge, G, von Delft, F, Wiegelt, J, Arrowsmith, C, Sundstrom, M, Edwards, A, Oppermann, U, Structural Genomics Consortium (SGC) | | Deposit date: | 2007-05-30 | | Release date: | 2007-07-03 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure and mechanism of human UDP-glucose 6-dehydrogenase.
J.Biol.Chem., 286, 2011
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4DVQ
 | | Structure of human aldosterone synthase, CYP11B2, in complex with deoxycorticosterone | | Descriptor: | Cytochrome P450 11B2, mitochondrial, DESOXYCORTICOSTERONE, ... | | Authors: | Strushkevich, N, Shen, L, Tempel, W, Arrowsmith, C, Edwards, A, Usanov, S.A, Park, H.-W. | | Deposit date: | 2012-02-23 | | Release date: | 2013-01-30 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.49 Å) | | Cite: | Structural insights into aldosterone synthase substrate specificity and targeted inhibition.
Mol.Endocrinol., 27, 2013
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