3MS5
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![BU of 3ms5 by Molmil](/molmil-images/mine/3ms5) | Crystal Structure of Human gamma-butyrobetaine,2-oxoglutarate dioxygenase 1 (BBOX1) | Descriptor: | 1,2-ETHANEDIOL, 2-(2-carboxyethyl)-1,1,1-trimethyldiazanium, Gamma-butyrobetaine dioxygenase, ... | Authors: | Krojer, T, Kochan, G, McDonough, M.A, von Delft, F, Leung, I.K.H, Henry, L, Claridge, T.D.W, Pilka, E, Ugochukwu, E, Muniz, J, Filippakopoulos, P, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Kavanagh, K.L, Schofield, C.J, Oppermann, U, Structural Genomics Consortium (SGC) | Deposit date: | 2010-04-29 | Release date: | 2010-05-12 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Structural and mechanistic studies on gamma-butyrobetaine hydroxylase. Chem. Biol., 17, 2010
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3O2G
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![BU of 3o2g by Molmil](/molmil-images/mine/3o2g) | Crystal Structure of Human gamma-butyrobetaine,2-oxoglutarate dioxygenase 1 (BBOX1) | Descriptor: | 1,2-ETHANEDIOL, 3-CARBOXY-N,N,N-TRIMETHYLPROPAN-1-AMINIUM, Gamma-butyrobetaine dioxygenase, ... | Authors: | Krojer, T, Kochan, G, McDonough, M.A, von Delft, F, Leung, I.K.H, Henry, L, Claridge, T.D.W, Pilka, E, Ugochukwu, E, Muniz, J, Filippakopoulos, P, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Kavanagh, K.L, Schofield, C.J, Oppermann, U, Structural Genomics Consortium (SGC) | Deposit date: | 2010-07-22 | Release date: | 2010-09-15 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Structural and mechanistic studies on gamma-butyrobetaine hydroxylase. Chem. Biol., 17, 2010
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3LXK
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![BU of 3lxk by Molmil](/molmil-images/mine/3lxk) | Structural and Thermodynamic Characterization of the TYK2 and JAK3 Kinase Domains in Complex with CP-690550 and CMP-6 | Descriptor: | 3-{(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}-3-oxopropanenitrile, Tyrosine-protein kinase JAK3 | Authors: | Chrencik, J.E, Patny, A, Leung, I.K, Korniski, B, Emmons, T.L, Benson, T.E. | Deposit date: | 2010-02-25 | Release date: | 2010-06-02 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural and thermodynamic characterization of the TYK2 and JAK3 kinase domains in complex with CP-690550 and CMP-6. J.Mol.Biol., 400, 2010
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5TCW
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![BU of 5tcw by Molmil](/molmil-images/mine/5tcw) | |
5TCV
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![BU of 5tcv by Molmil](/molmil-images/mine/5tcv) | |
6XPP
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![BU of 6xpp by Molmil](/molmil-images/mine/6xpp) | |
8G8K
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![BU of 8g8k by Molmil](/molmil-images/mine/8g8k) | Crystal structure of Rv1916 (residues 233-398) | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Putative isocitrate lyase subunit B | Authors: | Kwai, B.X.C, Bashiri, G, Leung, I.K.H. | Deposit date: | 2023-02-18 | Release date: | 2023-06-07 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Mycobacterium tuberculosis Rv1916 is an Acetyl-CoA-Binding Protein. Chembiochem, 24, 2023
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5OX6
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![BU of 5ox6 by Molmil](/molmil-images/mine/5ox6) | HIF prolyl hydroxylase 2 (PHD2/ EGLN1) in complex with Vadadustat | Descriptor: | Egl nine homolog 1, GLYCEROL, MANGANESE (II) ION, ... | Authors: | Chowdhury, R, Zhang, D, Schofield, C.J. | Deposit date: | 2017-09-06 | Release date: | 2017-10-18 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Molecular and cellular mechanisms of HIF prolyl hydroxylase inhibitors in clinical trials. Chem Sci, 8, 2017
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5OX5
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![BU of 5ox5 by Molmil](/molmil-images/mine/5ox5) | HIF prolyl hydroxylase 2 (PHD2/ EGLN1) in complex with CCT6, a GSK1278863-related compound | Descriptor: | (6-hydroxy-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonyl)glycine, BICARBONATE ION, Egl nine homolog 1, ... | Authors: | Chowdhury, R, Thinnes, C.C, Schofield, C.J. | Deposit date: | 2017-09-06 | Release date: | 2017-10-18 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.251 Å) | Cite: | Molecular and cellular mechanisms of HIF prolyl hydroxylase inhibitors in clinical trials. Chem Sci, 8, 2017
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4KQO
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![BU of 4kqo by Molmil](/molmil-images/mine/4kqo) | Crystal structure of penicillin-binding protein 3 from pseudomonas aeruginosa in complex with piperacillin | Descriptor: | CHLORIDE ION, GLYCEROL, IMIDAZOLE, ... | Authors: | Nettleship, J.E, Stuart, D.I, Owens, R.J, Ren, J. | Deposit date: | 2013-05-15 | Release date: | 2013-11-06 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Binding of (5S)-Penicilloic Acid to Penicillin Binding Protein 3. Acs Chem.Biol., 8, 2013
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4KQR
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![BU of 4kqr by Molmil](/molmil-images/mine/4kqr) | CRYSTAL STRUCTURE OF PENICILLIN-BINDING PROTEIN 3 FROM PSEUDOMONAS AERUGINOSA IN COMPLEX WITH (5S)-Penicilloic Acid | Descriptor: | (2S,4S)-2-[(R)-carboxy{[(2R)-2-{[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino}-2-phenylacetyl]amino}methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, CHLORIDE ION, GLYCEROL, ... | Authors: | Nettleship, J.E, Stuart, D.I, Owens, R.J, Ren, J. | Deposit date: | 2013-05-15 | Release date: | 2013-11-06 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Binding of (5S)-Penicilloic Acid to Penicillin Binding Protein 3. Acs Chem.Biol., 8, 2013
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4KQQ
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![BU of 4kqq by Molmil](/molmil-images/mine/4kqq) | CRYSTAL STRUCTURE OF PENICILLIN-BINDING PROTEIN 3 FROM PSEUDOMONAS AERUGINOSA IN COMPLEX WITH (5S)-Penicilloic Acid | Descriptor: | (2S,4S)-2-[(R)-carboxy{[(2R)-2-{[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino}-2-phenylacetyl]amino}methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, CHLORIDE ION, GLYCEROL, ... | Authors: | Nettleship, J.E, Stuart, D.I, Owens, R.J, Ren, J. | Deposit date: | 2013-05-15 | Release date: | 2013-11-06 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Binding of (5S)-Penicilloic Acid to Penicillin Binding Protein 3. Acs Chem.Biol., 8, 2013
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4CWD
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![BU of 4cwd by Molmil](/molmil-images/mine/4cwd) | CRYSTAL STRUCTURE OF HUMAN GAMMA-BUTYROBETAINE,2-OXOGLUTARATE IN COMPLEX WITH 449, A NOVEL SUBSTRATE | Descriptor: | 4-carboxy-1,1-dimethylpiperidin-1-ium, DI(HYDROXYETHYL)ETHER, GAMMA-BUTYROBETAINE DIOXYGENASE, ... | Authors: | McDonough, M.A, Kochan, G, Rydzik, A, Schofield, C.J. | Deposit date: | 2014-04-02 | Release date: | 2014-09-17 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.899 Å) | Cite: | Oxygenase-catalyzed desymmetrization of N,N-dialkyl-piperidine-4-carboxylic acids. Angew. Chem. Int. Ed. Engl., 53, 2014
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4AI8
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![BU of 4ai8 by Molmil](/molmil-images/mine/4ai8) | FACTOR INHIBITING HIF-1 ALPHA IN COMPLEX WITH DAMINOZIDE | Descriptor: | DAMINOZIDE, GLYCEROL, HYPOXIA-INDUCIBLE FACTOR 1-ALPHA INHIBITOR, ... | Authors: | King, O.N.F, Chowdhury, R, Rose, N.R, McDonough, M.A, Clifton, I.J, Schofield, C.J, Kawamura, A. | Deposit date: | 2012-02-08 | Release date: | 2012-10-03 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Plant growth regulator daminozide is a selective inhibitor of human KDM2/7 histone demethylases. J. Med. Chem., 55, 2012
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4AI9
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![BU of 4ai9 by Molmil](/molmil-images/mine/4ai9) | JMJD2A Complexed with Daminozide | Descriptor: | CHLORIDE ION, DAMINOZIDE, GLYCEROL, ... | Authors: | Chowdhury, R, Schofield, C.J. | Deposit date: | 2012-02-08 | Release date: | 2012-10-03 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Plant growth regulator daminozide is a selective inhibitor of human KDM2/7 histone demethylases. J. Med. Chem., 55, 2012
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6YVT
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![BU of 6yvt by Molmil](/molmil-images/mine/6yvt) | HIF prolyl hydroxylase 2 (PHD2/ EGLN1) in complex with MD-253 | Descriptor: | 2-[[5-(6-methoxynaphthalen-2-yl)-3-oxidanyl-pyridin-2-yl]carbonylamino]ethanoic acid, Egl nine homolog 1, GLYCEROL, ... | Authors: | Chowdhury, R, Demetriades, M, Schofield, C.J. | Deposit date: | 2020-04-28 | Release date: | 2020-05-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.847 Å) | Cite: | Dynamic combinatorial chemistry employing boronic acids/boronate esters leads to potent oxygenase inhibitors. Angew.Chem.Int.Ed.Engl., 51, 2012
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1S9I
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![BU of 1s9i by Molmil](/molmil-images/mine/1s9i) | X-ray structure of the human mitogen-activated protein kinase kinase 2 (MEK2)in a complex with ligand and MgATP | Descriptor: | 5-{3,4-DIFLUORO-2-[(2-FLUORO-4-IODOPHENYL)AMINO]PHENYL}-N-(2-MORPHOLIN-4-YLETHYL)-1,3,4-OXADIAZOL-2-AMINE, ADENOSINE-5'-TRIPHOSPHATE, Dual specificity mitogen-activated protein kinase kinase 2, ... | Authors: | Ohren, J.F, Chen, H, Pavlovsky, A, Whitehead, C, Yan, C, McConnell, P, Delaney, A, Dudley, D.T, Sebolt-Leopold, J, Hasemann, C.A. | Deposit date: | 2004-02-04 | Release date: | 2004-11-23 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structures of human MAP kinase kinase 1 (MEK1) and MEK2 describe novel noncompetitive kinase inhibition. Nat.Struct.Mol.Biol., 11, 2004
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1S9J
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![BU of 1s9j by Molmil](/molmil-images/mine/1s9j) | X-ray structure of the human mitogen-activated protein kinase kinase 1 (MEK1) in a complex with ligand and MgATP | Descriptor: | 5-BROMO-N-(2,3-DIHYDROXYPROPOXY)-3,4-DIFLUORO-2-[(2-FLUORO-4-IODOPHENYL)AMINO]BENZAMIDE, ADENOSINE-5'-TRIPHOSPHATE, Dual specificity mitogen-activated protein kinase kinase 1, ... | Authors: | Ohren, J.F, Chen, H, Pavlovsky, A, Whitehead, C, Yan, C, McConnell, P, Delaney, A, Dudley, D.T, Sebolt-Leopold, J, Hasemann, C.A. | Deposit date: | 2004-02-04 | Release date: | 2004-11-23 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structures of human MAP kinase kinase 1 (MEK1) and MEK2 describe novel noncompetitive kinase inhibition. Nat.Struct.Mol.Biol., 11, 2004
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3LXN
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![BU of 3lxn by Molmil](/molmil-images/mine/3lxn) | |
3LXP
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![BU of 3lxp by Molmil](/molmil-images/mine/3lxp) | |
3LXL
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![BU of 3lxl by Molmil](/molmil-images/mine/3lxl) | |
2YBK
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![BU of 2ybk by Molmil](/molmil-images/mine/2ybk) | JMJD2A COMPLEXED WITH R-2-HYDROXYGLUTARATE | Descriptor: | (2R)-2-hydroxypentanedioic acid, CHLORIDE ION, LYSINE-SPECIFIC DEMETHYLASE 4A, ... | Authors: | Chowdhury, R, McDonough, M.A, Schofield, C.J. | Deposit date: | 2011-03-08 | Release date: | 2011-04-06 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | The oncometabolite 2-hydroxyglutarate inhibits histone lysine demethylases. EMBO Rep., 12, 2011
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2YC0
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![BU of 2yc0 by Molmil](/molmil-images/mine/2yc0) | FACTOR INHIBITING HIF-1 ALPHA IN COMPLEX WITH R-2-HYDROXYGLUTARATE | Descriptor: | (2R)-2-hydroxypentanedioic acid, FE (II) ION, GLYCEROL, ... | Authors: | Chowdhury, R, Clifton, I.J, Schofield, C.J. | Deposit date: | 2011-03-10 | Release date: | 2011-03-30 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | The oncometabolite 2-hydroxyglutarate inhibits histone lysine demethylases. EMBO Rep., 12, 2011
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2YBS
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2YDE
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![BU of 2yde by Molmil](/molmil-images/mine/2yde) | FACTOR INHIBITING HIF-1 ALPHA IN COMPLEX WITH S-2-HYDROXYGLUTARATE | Descriptor: | (2S)-2-HYDROXYPENTANEDIOIC ACID, FE (III) ION, GLYCEROL, ... | Authors: | Chowdhury, R, Clifton, I.J, Schofield, C.J. | Deposit date: | 2011-03-18 | Release date: | 2011-03-30 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | The oncometabolite 2-hydroxyglutarate inhibits histone lysine demethylases. EMBO Rep., 12, 2011
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