1WMX
 
 | | Crystal Structure of Family 30 Carbohydrate Binding Module | | Descriptor: | COG3291: FOG: PKD repeat, SULFATE ION | | Authors: | Horiguchi, Y, Kono, M, Suzuki, A, Yamane, T, Arai, M, Sakka, K, Omiya, K. | | Deposit date: | 2004-07-21 | | Release date: | 2004-08-03 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal Structure of Family 30 Carbohydrate Binding Module
To be Published
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7WKV
 | | Crystal structure of human ALKBH5 in complex with 2-oxoglutarate (2OG) and m6A-containing ssRNA | | Descriptor: | 2-OXOGLUTARIC ACID, MANGANESE (II) ION, RNA (5'-R(P*GP*GP*(6MZ)P*C)-3'), ... | | Authors: | Kaur, S, McDonough, M.A, Schofield, C.J, Aik, W.S. | | Deposit date: | 2022-01-11 | | Release date: | 2022-03-30 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Mechanisms of substrate recognition and N6-methyladenosine demethylation revealed by crystal structures of ALKBH5-RNA complexes.
Nucleic Acids Res., 50, 2022
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7WL0
 | | Crystal structure of human ALKBH5 in complex with N-oxalylglycine (NOG) and m6A-containing ssRNA | | Descriptor: | FORMIC ACID, MANGANESE (II) ION, N-OXALYLGLYCINE, ... | | Authors: | Kaur, S, McDonough, M.A, Schofield, C.J, Aik, W.S. | | Deposit date: | 2022-01-12 | | Release date: | 2022-03-30 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Mechanisms of substrate recognition and N6-methyladenosine demethylation revealed by crystal structures of ALKBH5-RNA complexes.
Nucleic Acids Res., 50, 2022
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6S0I
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1WZX
 | | Crystal Structure of Family 30 Carbohydrate Binding Module. | | Descriptor: | COG3291: FOG: PKD repeat | | Authors: | Horiguchi, Y, Kono, M, Suzuki, A, Yamane, T, Arai, M, Sakka, K, Omiya, K. | | Deposit date: | 2005-03-10 | | Release date: | 2005-03-22 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (3.52 Å) | | Cite: | Crystal Structure of Family 30 Carbohydrate Binding Module
To be Published
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4CHL
 | | Human Ethylmalonic Encephalopathy Protein 1 (hETHE1) | | Descriptor: | FE (III) ION, PERSULFIDE DIOXYGENASE ETHE1, MITOCHONDRIAL | | Authors: | Pettinati, I, Brem, J, McDonough, M.A, Schofield, C.J. | | Deposit date: | 2013-12-03 | | Release date: | 2014-12-17 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.61 Å) | | Cite: | Crystal structure of human persulfide dioxygenase: structural basis of ethylmalonic encephalopathy.
Hum. Mol. Genet., 24, 2015
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3UGQ
 | | Crystal structure of the apo form of the yeast mitochondrial threonyl-tRNA synthetase determined at 2.1 Angstrom resolution | | Descriptor: | POTASSIUM ION, SULFATE ION, Threonyl-tRNA synthetase, ... | | Authors: | Peterson, K.M, Ling, J, Simonovic, I, Cho, C, Soll, D, Simonovic, M. | | Deposit date: | 2011-11-02 | | Release date: | 2012-02-22 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Yeast mitochondrial threonyl-tRNA synthetase recognizes tRNA isoacceptors by distinct mechanisms and promotes CUN codon reassignment.
Proc.Natl.Acad.Sci.USA, 109, 2012
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4ZDO
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5APA
 | | Crystal structure of human aspartate beta-hydroxylase isoform a | | Descriptor: | (2S)-2-hydroxybutanedioic acid, 1,2-ETHANEDIOL, ASPARTYL/ASPARAGINYL BETA-HYDROXYLASE, ... | | Authors: | Krojer, T, Kochan, G, Pfeffer, I, McDonough, M.A, Pilka, E, Hozjan, V, Allerston, C, Muniz, J.R, Chaikuad, A, Gileadi, O, Kavanagh, K, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Oppermann, U. | | Deposit date: | 2015-09-15 | | Release date: | 2015-09-23 | | Last modified: | 2019-11-06 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Aspartate/asparagine-beta-hydroxylase crystal structures reveal an unexpected epidermal growth factor-like domain substrate disulfide pattern.
Nat Commun, 10, 2019
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4ZDP
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3NJY
 | | Crystal structure of JMJD2A complexed with 5-carboxy-8-hydroxyquinoline | | Descriptor: | 8-hydroxyquinoline-5-carboxylic acid, Lysine-specific demethylase 4A, NICKEL (II) ION, ... | | Authors: | King, O.N.F, Clifton, I.J, Wang, M, Maloney, D.J, Jadhav, A, Oppermann, U, Heightman, T.D, Simeonov, A, McDonough, M.A, Schofield, C.J. | | Deposit date: | 2010-06-18 | | Release date: | 2010-12-08 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Quantitative high-throughput screening identifies 8-hydroxyquinolines as cell-active histone demethylase inhibitors
Plos One, 5, 2010
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3K2O
 | | Structure of an oxygenase | | Descriptor: | ACETATE ION, Bifunctional arginine demethylase and lysyl-hydroxylase JMJD6, CHLORIDE ION, ... | | Authors: | Krojer, T, McDonough, M.A, Clifton, I.J, Mantri, M, Ng, S.S, Pike, A.C.W, Butler, D.S, Webby, C.J, Kochan, G, Bhatia, C, Bray, J.E, Chaikuad, A, Gileadi, O, von Delft, F, Weigelt, J, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Schofield, C.J, Kavanagh, K.L, Oppermann, U, Structural Genomics Consortium (SGC) | | Deposit date: | 2009-09-30 | | Release date: | 2009-11-03 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Crystal Structure of the 2-Oxoglutarate- and Fe(II)-Dependent Lysyl Hydroxylase JMJD6.
J.Mol.Biol., 401, 2010
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3UH0
 | | Crystal structure of the yeast mitochondrial threonyl-tRNA synthetase (MST1) in complex with threonyl sulfamoyl adenylate | | Descriptor: | 5'-O-(N-(L-THREONYL)-SULFAMOYL)ADENOSINE, SULFATE ION, Threonyl-tRNA synthetase, ... | | Authors: | Peterson, K.M, Ling, J, Simonovic, I, Cho, C, Soll, D, Simonovic, M. | | Deposit date: | 2011-11-03 | | Release date: | 2012-02-22 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Yeast mitochondrial threonyl-tRNA synthetase recognizes tRNA isoacceptors by distinct mechanisms and promotes CUN codon reassignment.
Proc.Natl.Acad.Sci.USA, 109, 2012
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7BCS
 | | ASCT2 in the presence of the inhibitor Lc-BPE (position "down") in the outward-open conformation. | | Descriptor: | (2~{S},4~{S})-4-(4-phenylphenyl)carbonyloxypyrrolidine-2-carboxylic acid, Neutral amino acid transporter B(0) | | Authors: | Garibsingh, R.A, Ndaru, E, Garaeva, A.A, Shi, Y, Zielewicz, L, Bonomi, M, Slotboom, D.J, Paulino, C, Grewer, C, Schlessinger, A. | | Deposit date: | 2020-12-21 | | Release date: | 2021-09-22 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (3.43 Å) | | Cite: | Rational design of ASCT2 inhibitors using an integrated experimental-computational approach.
Proc.Natl.Acad.Sci.USA, 118, 2021
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3UGT
 | | Crystal structure of the yeast mitochondrial threonyl-tRNA synthetase - orthorhombic crystal form | | Descriptor: | Threonyl-tRNA synthetase, mitochondrial, ZINC ION | | Authors: | Peterson, K.M, Ling, J, Simonovic, I, Cho, C, Soll, D, Simonovic, M. | | Deposit date: | 2011-11-02 | | Release date: | 2012-02-22 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.6 Å) | | Cite: | Yeast mitochondrial threonyl-tRNA synthetase recognizes tRNA isoacceptors by distinct mechanisms and promotes CUN codon reassignment.
Proc.Natl.Acad.Sci.USA, 109, 2012
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4EO4
 | | Crystal structure of the yeast mitochondrial threonyl-tRNA synthetase (MST1) in complex with seryl sulfamoyl adenylate | | Descriptor: | 5'-O-(N-(L-SERYL)-SULFAMOYL)ADENOSINE, Threonine--tRNA ligase, mitochondrial, ... | | Authors: | Peterson, K.M, Ling, J, Simonovic, I, Soll, D, Simonovic, M. | | Deposit date: | 2012-04-13 | | Release date: | 2012-07-11 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.87 Å) | | Cite: | The mechanism of pre-transfer editing in yeast mitochondrial threonyl-tRNA synthetase.
J.Biol.Chem., 287, 2012
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2OS2
 | | Crystal structure of JMJD2A complexed with histone H3 peptide trimethylated at Lys36 | | Descriptor: | JmjC domain-containing histone demethylation protein 3A, N-OXALYLGLYCINE, NICKEL (II) ION, ... | | Authors: | Kavanagh, K.L, Ng, S.S, Pilka, E, McDonough, M.A, Savitsky, P, von Delft, F, Arrowsmith, C.H, Weigelt, J, Edwards, A, Sundstrom, M, Schofield, C.J, Oppermann, U, Structural Genomics Consortium (SGC) | | Deposit date: | 2007-02-05 | | Release date: | 2007-03-13 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structures of histone demethylase JMJD2A reveal basis for substrate specificity.
Nature, 448, 2007
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2OQ6
 | | Crystal structure of JMJD2A complexed with histone H3 peptide trimethylated at Lys9 | | Descriptor: | JmjC domain-containing histone demethylation protein 3A, N-OXALYLGLYCINE, NICKEL (II) ION, ... | | Authors: | Pilka, E.S, Ng, S.S, Kavanagh, K.L, McDonough, M.A, Savitsky, P, von Delft, F, Arrowsmith, C.H, Weigelt, J, Edwards, A, Sundstrom, M, Schofield, C.J, Oppermann, U, Structural Genomics Consortium (SGC) | | Deposit date: | 2007-01-31 | | Release date: | 2007-03-13 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structures of histone demethylase JMJD2A reveal basis for substrate specificity.
Nature, 448, 2007
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4ZDL
 | | The crystal structure of the T325S mutant of the human holo SepSecS | | Descriptor: | (5-HYDROXY-4,6-DIMETHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE, CITRATE ANION, O-phosphoseryl-tRNA(Sec) selenium transferase | | Authors: | French, R.L, Simonovic, M. | | Deposit date: | 2015-04-17 | | Release date: | 2016-04-20 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Structural basis for early-onset neurological disorders caused by mutations in human selenocysteine synthase.
Sci Rep, 6, 2016
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7BCQ
 | | ASCT2 in the presence of the inhibitor Lc-BPE (position "up") in the outward-open conformation. | | Descriptor: | 4-(4-phenylphenyl)carbonyloxypyrrolidine-2-carboxylic acid, Neutral amino acid transporter B(0) | | Authors: | Garibsingh, R.A, Ndaru, E, Garaeva, A.A, Shi, Y, Zielewicz, L, Bonomi, M, Slotboom, D.J, Paulino, C, Grewer, C, Schlessinger, A. | | Deposit date: | 2020-12-21 | | Release date: | 2021-09-22 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (3.43 Å) | | Cite: | Rational design of ASCT2 inhibitors using an integrated experimental-computational approach.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7BCT
 | | ASCT2 in the presence of the inhibitor ERA-21 in the outward-open conformation. | | Descriptor: | Neutral amino acid transporter B(0) | | Authors: | Garibsingh, R.A, Ndaru, E, Garaeva, A.A, Shi, Y, Zielewicz, L, Bonomi, M, Slotboom, D.J, Paulino, C, Grewer, C, Schlessinger, A. | | Deposit date: | 2020-12-21 | | Release date: | 2021-09-22 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (3.37 Å) | | Cite: | Rational design of ASCT2 inhibitors using an integrated experimental-computational approach.
Proc.Natl.Acad.Sci.USA, 118, 2021
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4JHT
 | | Crystal Structure of AlkB in complex with 5-carboxy-8-hydroxyquinoline (IOX1) | | Descriptor: | 8-hydroxyquinoline-5-carboxylic acid, ACETATE ION, Alpha-ketoglutarate-dependent dioxygenase AlkB, ... | | Authors: | Aik, W.S, McDonough, M.A, Schofield, C.J. | | Deposit date: | 2013-03-05 | | Release date: | 2013-06-26 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.18 Å) | | Cite: | 5-Carboxy-8-hydroxyquinoline is a Broad Spectrum 2-Oxoglutarate Oxygenase Inhibitor which Causes Iron Translocation.
Chem Sci, 4, 2013
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2OT7
 | | Crystal structure of JMJD2A complexed with histone H3 peptide monomethylated at Lys9 | | Descriptor: | JmjC domain-containing histone demethylation protein 3A, N-OXALYLGLYCINE, NICKEL (II) ION, ... | | Authors: | Kavanagh, K.L, Ng, S.S, Pilka, E, McDonough, M.A, Savitsky, P, von Delft, F, Arrowsmith, C.H, Weigelt, J, Edwards, A, Sundstrom, M, Schofield, C.J, Oppermann, U, Structural Genomics Consortium (SGC) | | Deposit date: | 2007-02-07 | | Release date: | 2007-03-13 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.135 Å) | | Cite: | Crystal structures of histone demethylase JMJD2A reveal basis for substrate specificity.
Nature, 448, 2007
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5YGX
 | | Structure of BACE1 in complex with N-(3-((4R,5R,6S)-2-amino-6-(1,1-difluoroethyl)-5-fluoro-4-methyl-5,6-dihydro-4H-1,3-oxazin-4-yl)-4-fluorophenyl)-5-(fluoromethoxy)pyrazine-2-carboxamide | | Descriptor: | Beta-secretase 1, DIMETHYL SULFOXIDE, GLYCEROL, ... | | Authors: | Nakahara, K, Fuchino, K, Komano, K, Asada, N, Tadano, G, Hasegawa, T, Yamamoto, T, Sako, Y, Ogawa, M, Unemura, C, Hosono, M, Sakaguchi, G, Ando, S, Ohnishi, S, Kido, Y, Fukushima, T, Dhuyvetter, D, Borghys, H, Gijsen, H, Yamano, Y, Iso, Y, Kusakabe, K. | | Deposit date: | 2017-09-27 | | Release date: | 2018-08-08 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Discovery of Potent and Centrally Active 6-Substituted 5-Fluoro-1,3-dihydro-oxazine beta-Secretase (BACE1) Inhibitors via Active Conformation Stabilization
J. Med. Chem., 61, 2018
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2OQ7
 | | The crystal structure of JMJD2A complexed with Ni and N-oxalylglycine | | Descriptor: | JmjC domain-containing histone demethylation protein 3A, N-OXALYLGLYCINE, NICKEL (II) ION, ... | | Authors: | Kavanagh, K.L, Ng, S.S, Pilka, E, McDonough, M.A, Savitsky, P, von Delft, F, Arrowsmith, C.H, Weigelt, J, Edwards, A, Sundstrom, M, Schofield, C.J, Oppermann, U, Structural Genomics Consortium (SGC) | | Deposit date: | 2007-01-31 | | Release date: | 2007-03-13 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Crystal structures of histone demethylase JMJD2A reveal basis for substrate specificity.
Nature, 448, 2007
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