3R2C
 
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1S05
 | | NMR-validated structural model for oxidized R.palustris cytochrome c556 | | Descriptor: | Cytochrome c-556, HEME C | | Authors: | Bertini, I, Faraone-Mennella, J, Gray, H.B, Luchinat, C, Parigi, G, Winkler, J.R. | | Deposit date: | 2003-12-30 | | Release date: | 2004-01-20 | | Last modified: | 2021-03-03 | | Method: | SOLUTION NMR | | Cite: | NMR-validated structural model for oxidized Rhodopseudomonas palustris cytochrome c(556).
J.Biol.Inorg.Chem., 9, 2004
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5KCO
 | | SETDB1 in complex with an early stage, low affinity fragment candidate modelled at reduced occupancy | | Descriptor: | DIMETHYL SULFOXIDE, Histone-lysine N-methyltransferase SETDB1, SULFATE ION, ... | | Authors: | Tempel, W, Harding, R.J, Mader, P, Dobrovetsky, E, Walker, J.R, Brown, P.J, Schapira, M, Collins, P, Pearce, N, Brandao-Neto, J, Douangamath, A, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Santhakumar, V, Structural Genomics Consortium (SGC) | | Deposit date: | 2016-06-06 | | Release date: | 2016-07-27 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | SETDB1 in complex with an early stage, low affinity fragment candidate modelled at reduced occupancy
To Be Published
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1SGO
 | | NMR Structure of the human C14orf129 gene product, HSPC210. Northeast Structural Genomics target HR969. | | Descriptor: | Protein C14orf129 | | Authors: | Ramelot, T.A, Cort, J.R, Xiao, R, Shih, L.-Y, Ma, L.-C, Acton, T.B, Montelione, G.T, Kennedy, M.A, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2004-02-24 | | Release date: | 2004-05-04 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | NMR Structure of the human C14orf129 gene product, HSPC210. Northeast Structural Genomics target HR969.
To be Published
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6OHJ
 | | Crystal Structure of the Debrominase Bmp8 C82A in Complex with 2,3,4-tribromopyrrole | | Descriptor: | 2,3,4-tribromo-1H-pyrrole, Debrominase Bmp8, SULFATE ION | | Authors: | Chekan, J.R, Moore, B.S. | | Deposit date: | 2019-04-05 | | Release date: | 2019-05-29 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (3.19 Å) | | Cite: | Bacterial Tetrabromopyrrole Debrominase Shares a Reductive Dehalogenation Strategy with Human Thyroid Deiodinase.
Biochemistry, 58, 2019
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5KE2
 | | Crystal structure of SETDB1 Tudor domain in complex with inhibitor XST06472A | | Descriptor: | (3~{S})-~{N}-~{tert}-butyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide, 1,2-ETHANEDIOL, Histone-lysine N-methyltransferase SETDB1, ... | | Authors: | Dong, A, Iqbal, A, Mader, P, Dobrovetsky, E, Walker, J.R, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Structural Genomics Consortium (SGC) | | Deposit date: | 2016-06-09 | | Release date: | 2016-07-13 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | Crystal structure of SETDB1 Tudor domain in complex with inhibitor xst06472a
to be published
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3T6N
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3SW9
 | | GLP (G9a-like protein) SET domain in complex with Dnmt3aK44me0 peptide | | Descriptor: | DNA (cytosine-5)-methyltransferase 3A, Histone-lysine N-methyltransferase EHMT1, SINEFUNGIN, ... | | Authors: | Chang, Y, Horton, J.R, Zhang, X, Cheng, X. | | Deposit date: | 2011-07-13 | | Release date: | 2011-12-07 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (3.05 Å) | | Cite: | MPP8 mediates the interactions between DNA methyltransferase Dnmt3a and H3K9 methyltransferase GLP/G9a.
Nat Commun, 2, 2011
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1UVQ
 | | Crystal structure of HLA-DQ0602 in complex with a hypocretin peptide | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETIC ACID, GLYCINE, ... | | Authors: | Siebold, C, Hansen, B.E, Wyer, J.R, Harlos, K, Esnouf, R.E, Svejgaard, A, Bell, J.I, Strominger, J.L, Jones, E.Y, Fugger, L. | | Deposit date: | 2004-01-22 | | Release date: | 2004-02-05 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal Structure of Hla-Dq0602 that Protects Against Type 1 Diabetes and Confers Strong Susceptibility to Narcolepsy
Proc.Natl.Acad.Sci.USA, 101, 2004
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1TJI
 | | Crystal Structure of the broadly neutralizing anti-HIV-1 antibody 2F5 in complex with a gp41 17mer epitope | | Descriptor: | 1,2-ETHANEDIOL, Envelope Glycoprotein GP41, ISOPROPYL ALCOHOL, ... | | Authors: | Ofek, G, Tang, M, Sambor, A, Katinger, H, Mascola, J.R, Wyatt, R, Kwong, P.D. | | Deposit date: | 2004-06-04 | | Release date: | 2004-10-05 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure and mechanistic analysis of the Anti-Human Immunodeficiency Virus type 1 antibody 2F5 in complex with its gp41 epitope
J.Virol., 78, 2004
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1T2E
 | | Plasmodium falciparum lactate dehydrogenase S245A, A327P mutant complexed with NADH and oxamate | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, GLYCEROL, L-lactate dehydrogenase, ... | | Authors: | Cameron, A, Read, J, Tranter, R, Winter, V.J, Sessions, R.B, Brady, R.L, Vivas, L, Easton, A, Kendrick, H, Croft, S.L, Barros, D, Lavandera, J.L, Martin, J.J, Risco, F, Garcia-Ochoa, S, Gamo, F.J, Sanz, L, Leon, L, Ruiz, J.R, Gabarro, R, Mallo, A, De Las Heras, F.G. | | Deposit date: | 2004-04-21 | | Release date: | 2004-05-11 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Identification and Activity of a Series of Azole-based Compounds with Lactate Dehydrogenase-directed Anti-malarial Activity.
J.Biol.Chem., 279, 2004
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3SWC
 | | GLP (G9a-like protein) SET domain in complex with Dnmt3aK44me2 peptide | | Descriptor: | DNA (cytosine-5)-methyltransferase 3A, Histone-lysine N-methyltransferase EHMT1, S-ADENOSYL-L-HOMOCYSTEINE, ... | | Authors: | Chang, Y, Horton, J.R, Zhang, X, Cheng, X. | | Deposit date: | 2011-07-13 | | Release date: | 2011-11-30 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.332 Å) | | Cite: | MPP8 mediates the interactions between DNA methyltransferase Dnmt3a and H3K9 methyltransferase GLP/G9a.
Nat Commun, 2, 2011
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5KGQ
 | | NMR structure and dynamics of Q4DY78, a conserved kinetoplasid-specific protein from Trypanosoma cruzi | | Descriptor: | Uncharacterized protein | | Authors: | D'Andrea, E.D, Retel, J.S, Diehl, A, Schmieder, P, Oschkinat, H, Pires, J.R. | | Deposit date: | 2016-06-13 | | Release date: | 2017-07-05 | | Last modified: | 2024-06-12 | | Method: | SOLUTION NMR | | Cite: | NMR structure and dynamics of Q4DY78, a conserved kinetoplasid-specific protein from Trypanosoma cruzi.
J.Struct.Biol., 213, 2021
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1T26
 | | Plasmodium falciparum lactate dehydrogenase complexed with NADH and 4-hydroxy-1,2,5-thiadiazole-3-carboxylic acid | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 4-HYDROXY-1,2,5-THIADIAZOLE-3-CARBOXYLIC ACID, L-lactate dehydrogenase | | Authors: | Cameron, A, Read, J, Tranter, R, Winter, V.J, Sessions, R.B, Brady, R.L, Vivas, L, Easton, A, Kendrick, H, Croft, S.L, Barros, D, Lavandera, J.L, Martin, J.J, Risco, F, Garcia-Ochoa, S, Gamo, F.J, Sanz, L, Leon, L, Ruiz, J.R, Gabarro, R, Mallo, A, De Las Heras, F.G. | | Deposit date: | 2004-04-20 | | Release date: | 2004-05-11 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Identification and Activity of a Series of Azole-based Compounds with Lactate Dehydrogenase-directed Anti-malarial Activity.
J.Biol.Chem., 279, 2004
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5KO5
 | | Crystal Structure of Isoform 2 of Purine Nucleoside Phosphorylase from Schistosoma mansoni in complex with cytosine | | Descriptor: | 1,2-ETHANEDIOL, 6-AMINOPYRIMIDIN-2(1H)-ONE, Purine nucleoside phosphorylase | | Authors: | Torini, J.R, Romanello, L, Bird, L, Owens, R, Brandao-Neto, J, Pereira, H.M. | | Deposit date: | 2016-06-29 | | Release date: | 2017-08-09 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.36 Å) | | Cite: | The molecular structure of Schistosoma mansoni PNP isoform 2 provides insights into the nucleoside selectivity of PNPs.
PLoS ONE, 13, 2018
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3QMV
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5KO4
 | | Bromodomain from Trypanosoma brucei Tb427.10.8150 | | Descriptor: | Putative uncharacterized protein, SULFATE ION | | Authors: | El Bakkouri, M, Walker, J.R, Hou, C.F.D, Lin, Y.H, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Hui, R, Structural Genomics Consortium (SGC) | | Deposit date: | 2016-06-29 | | Release date: | 2016-08-31 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.44 Å) | | Cite: | Bromodomain from Trypanosoma brucei Tb427.10.8150
To be published
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3QKK
 | | Spirochromane Akt Inhibitors | | Descriptor: | GSK-3 beta peptide, N-(2-ethoxyethyl)-N-{(2S)-2-hydroxy-3-[(2R)-6-hydroxy-4-oxo-3,4-dihydro-1'H-spiro[chromene-2,3'-piperidin]-1'-yl]propyl}-2,6-dimethylbenzenesulfonamide, RAC-alpha serine/threonine-protein kinase | | Authors: | Kallan, N.C, Spencer, K.L, Blake, J.F, Xu, R, Heizer, J, Bencsik, J.R, Mitchell, I.S, Gloor, S.L, Martinson, M, Risom, T, Gross, S.D, Morales, T, Vigers, G.P.A, Brandhuber, B.J, Skelton, N.J. | | Deposit date: | 2011-02-01 | | Release date: | 2011-03-30 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Discovery and SAR of spirochromane Akt inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011
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3QO2
 | | Structural insights for MPP8 chromodomain interaction with histone H3 lysine 9 | | Descriptor: | 1,2-ETHANEDIOL, Histone H3 peptide, M-phase phosphoprotein 8 | | Authors: | Chang, Y, Horton, J.R, Bedford, M.T, Zhang, X, Cheng, X. | | Deposit date: | 2011-02-09 | | Release date: | 2011-04-06 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.49 Å) | | Cite: | Structural insights for MPP8 chromodomain interaction with histone H3 lysine 9: potential effect of phosphorylation on methyl-lysine binding.
J.Mol.Biol., 408, 2011
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3Q68
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5KO6
 | | Crystal Structure of Isoform 2 of Purine Nucleoside Phosphorylase from Schistosoma mansoni in complex with cytosine and ribose-1-phosphate | | Descriptor: | 1-O-phosphono-alpha-D-ribofuranose, 6-AMINOPYRIMIDIN-2(1H)-ONE, Purine nucleoside phosphorylase | | Authors: | Torini, J.R, Romanello, L, Bird, L, Owens, R, Brandao-Neto, J, Pereira, H.M. | | Deposit date: | 2016-06-29 | | Release date: | 2017-08-09 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | The molecular structure of Schistosoma mansoni PNP isoform 2 provides insights into the nucleoside selectivity of PNPs.
PLoS ONE, 13, 2018
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1SQR
 | | Solution Structure of the 50S Ribosomal Protein L35AE from Pyrococcus furiosus. Northeast Structural Genomics Consortium Target PfR48. | | Descriptor: | 50S ribosomal protein L35Ae | | Authors: | Snyder, D.A, Aramini, J.M, Huang, Y.J, Xiao, R, Cort, J.R, Shastry, R, Ma, L.C, Liu, J, Rost, B, Acton, T.B, Kennedy, M.A, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2004-03-19 | | Release date: | 2004-11-16 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution Structure of the 50S Ribosomal Protein L35AE from Pyrococcus furiosus: Northeast Structural Genomics Consortium Target PfR48
To be Published
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1SHV
 | | STRUCTURE OF SHV-1 BETA-LACTAMASE | | Descriptor: | CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE, PROTEIN (BETA-LACTAMASE SHV-1) | | Authors: | Kuzin, A.P, Nukaga, M, Nukaga, Y, Hujer, A, Bonomo, R.A, Knox, J.R. | | Deposit date: | 1999-02-23 | | Release date: | 1999-05-06 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Structure of the SHV-1 beta-lactamase.
Biochemistry, 38, 1999
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3RHU
 | | Epitope backbone grafting by computational design for improved presentation of linear epitopes on scaffold proteins | | Descriptor: | SC_1wnu | | Authors: | Azoitei, M.L, Ban, Y.A, Julien, J.P, Bryson, S, Schroeter, A, Kalyuzhniy, O, Porter, J.R, Adachi, Y, Baker, D, Szabo, E, Pai, E.F, Schief, W.R. | | Deposit date: | 2011-04-12 | | Release date: | 2011-11-09 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Computational design of high-affinity epitope scaffolds by backbone grafting of a linear epitope.
J.Mol.Biol., 415, 2012
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1SD1
 | | STRUCTURE OF HUMAN 5'-DEOXY-5'-METHYLTHIOADENOSINE PHOSPHORYLASE COMPLEXED WITH FORMYCIN A | | Descriptor: | (1S)-1-(7-amino-1H-pyrazolo[4,3-d]pyrimidin-3-yl)-1,4-anhydro-D-ribitol, 5'-methylthioadenosine phosphorylase | | Authors: | Lee, J.E, Settembre, E.C, Cornell, K.A, Riscoe, M.K, Sufrin, J.R, Ealick, S.E, Howell, P.L. | | Deposit date: | 2004-02-12 | | Release date: | 2004-05-18 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Structural Comparison of MTA Phosphorylase and MTA/AdoHcy Nucleosidase Explains Substrate Preferences and Identifies Regions Exploitable for Inhibitor Design.
Biochemistry, 43, 2004
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