5EZV
 
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4ZHX
 | | Novel binding site for allosteric activation of AMPK | | Descriptor: | (5S,6R,7R,9R,13cR,14R,16aS)-6-methoxy-5-methyl-7-(methylamino)-6,7,8,9,14,15,16,16a-octahydro-5H,13cH-5,9-epoxy-4b,9a,1 5-triazadibenzo[b,h]cyclonona[1,2,3,4-jkl]cyclopenta[e]-as-indacen-14-ol, 3-[4-(2-hydroxyphenyl)phenyl]-4-oxidanyl-6-oxidanylidene-7H-thieno[2,3-b]pyridine-5-carbonitrile, 5'-AMP-activated protein kinase catalytic subunit alpha-2, ... | | Authors: | Langendorf, C.G, Ngoei, K.R, Issa, S.M.A, Ling, N, Gorman, M.A, Parker, M.W, Sakamoto, K, Scott, J.W, Oakhill, J.S, Kemp, B.E. | | Deposit date: | 2015-04-27 | | Release date: | 2016-03-09 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.99 Å) | | Cite: | Structural basis of allosteric and synergistic activation of AMPK by furan-2-phosphonic derivative C2 binding.
Nat Commun, 7, 2016
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3JZ4
 | | Crystal structure of E. coli NADP dependent enzyme | | Descriptor: | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Succinate-semialdehyde dehydrogenase [NADP+] | | Authors: | Langendorf, C.G, Key, T.L.G, Fenalti, G, Kan, W.T, Buckle, A.M, Caradoc-Davies, T, Tuck, K.L, Law, R.H.P, Whisstock, J.C. | | Deposit date: | 2009-09-22 | | Release date: | 2010-03-16 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The X-ray crystal structure of Escherichia coli succinic semialdehyde dehydrogenase; structural insights into NADP+/enzyme interactions.
Plos One, 5, 2010
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3VP6
 | | Structural characterization of Glutamic Acid Decarboxylase; insights into the mechanism of autoinactivation | | Descriptor: | 4-oxo-4H-pyran-2,6-dicarboxylic acid, GLYCEROL, Glutamate decarboxylase 1 | | Authors: | Langendorf, C.G, Tuck, K.L, Key, T.L.G, Rosado, C.J, Wong, A.S.M, Fenalti, G, Buckle, A.M, Law, R.H.P, Whisstock, J.C. | | Deposit date: | 2012-02-27 | | Release date: | 2013-01-16 | | Last modified: | 2013-08-14 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural characterization of the mechanism through which human glutamic acid decarboxylase auto-activates
Biosci.Rep., 33, 2013
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6KYE
 | | The crystal structure of recombinant human adult hemoglobin | | Descriptor: | CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | | Authors: | Kihira, K, Funaki, R, Okamoto, W, Endo, C, Morita, Y, Komatsu, T. | | Deposit date: | 2019-09-18 | | Release date: | 2020-01-01 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Genetically engineered haemoglobin wrapped covalently with human serum albumins as an artificial O2carrier.
J Mater Chem B, 8, 2020
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7MYJ
 | | Structure of full length human AMPK (a2b1g1) in complex with a small molecule activator MSG011 | | Descriptor: | (5S,6R,7R,9R,13cR,14R,16aS)-6-methoxy-5-methyl-7-(methylamino)-6,7,8,9,14,15,16,16a-octahydro-5H,13cH-5,9-epoxy-4b,9a,1 5-triazadibenzo[b,h]cyclonona[1,2,3,4-jkl]cyclopenta[e]-as-indacen-14-ol, 5'-AMP-activated protein kinase catalytic subunit alpha-2, 5'-AMP-activated protein kinase subunit beta-1, ... | | Authors: | Ovens, A.J, Gee, Y.S, Ling, N.X.Y, Waters, N.J, Yu, D, Scott, J.W, Parker, M.W, Hoffman, N.J, Kemp, B.E, Baell, J.B, Oakhill, J.S, Langendorf, C.G. | | Deposit date: | 2021-05-21 | | Release date: | 2022-06-29 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Structure-function analysis of the AMPK activator SC4 and identification of a potent pan AMPK activator.
Biochem.J., 479, 2022
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1SOA
 | | Human DJ-1 with sulfinic acid | | Descriptor: | RNA-binding protein regulatory subunit; oncogene DJ1 | | Authors: | Canet-Aviles, R, Wilson, M.A, Miller, D.W, Ahmad, R, McLendon, C, Bandyopadhyay, S, Baptista, M.J, Ringe, D, Petsko, G.A, Cookson, M.R. | | Deposit date: | 2004-03-13 | | Release date: | 2004-06-22 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | The Parkinson's disease protein DJ-1 is neuroprotective due to cysteine-sulfinic acid-driven mitochondrial localization.
Proc.Natl.Acad.Sci.USA, 101, 2004
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6EF5
 | | 14-3-3 with peptide | | Descriptor: | 14-3-3 protein zeta/delta, ARG-SER-LEU-SEP-ALA-PRO-GLY, LYS-LEU-SEP-LEU-GLN | | Authors: | Dhagat, U, Langendorf, C.G, Parker, M.W.P, Oakhill, J.S, Scott, J.W. | | Deposit date: | 2018-08-16 | | Release date: | 2019-10-30 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.44 Å) | | Cite: | 14-3-3 with peptide
To Be Published
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4TW6
 | | The Fk1 domain of FKBP51 in complex with iFit1 | | Descriptor: | (3-{(1R)-3-(3,4-dimethoxyphenyl)-1-[({(2S)-1-[(2S)-2-(3,4,5-trimethoxyphenyl)pent-4-enoyl]piperidin-2-yl}carbonyl)oxy]propyl}phenoxy)acetic acid, GLYCEROL, Peptidyl-prolyl cis-trans isomerase FKBP5, ... | | Authors: | Gaali, S, Kirschner, A, Cuboni, S, Hartmann, J, Kozany, C, Balsevich, G, Namendorf, C, Fernandez-Vizarra, P, Almeida, O.F.X, Ruehter, G, Uhr, M, Schmidt, M.V, Touma, C, Bracher, A, Hausch, F. | | Deposit date: | 2014-06-30 | | Release date: | 2014-11-26 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Selective inhibitors of the FK506-binding protein 51 by induced fit.
Nat.Chem.Biol., 11, 2015
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4TW8
 | | The Fk1-Fk2 domains of FKBP52 in complex with iFit-FL | | Descriptor: | 2-(5-{[({3-[(1R)-1-[({(2S)-1-[(2S)-2-[(1S)-cyclohex-2-en-1-yl]-2-(3,4,5-trimethoxyphenyl)acetyl]piperidin-2-yl}carbonyl)oxy]-3-(3,4-dimethoxyphenyl)propyl]phenoxy}acetyl)amino]methyl}-6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid, Peptidyl-prolyl cis-trans isomerase FKBP4 | | Authors: | Gaali, S, Kirschner, A, Cuboni, S, Hartmann, J, Kozany, C, Balsevich, G, Namendorf, C, Fernandez-Vizarra, P, Almeida, O.F.X, Ruehter, G, Uhr, M, Schmidt, M.V, Touma, C, Bracher, A, Hausch, F. | | Deposit date: | 2014-06-30 | | Release date: | 2014-11-26 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.003 Å) | | Cite: | Selective inhibitors of the FK506-binding protein 51 by induced fit.
Nat.Chem.Biol., 11, 2015
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4TW7
 | | The Fk1 domain of FKBP51 in complex with iFit4 | | Descriptor: | (1R)-3-(3,4-dimethoxyphenyl)-1-{3-[2-(morpholin-4-yl)ethoxy]phenyl}propyl (2S)-1-[(2S)-2-[(1S)-cyclohex-2-en-1-yl]-2-(3,4,5-trimethoxyphenyl)acetyl]piperidine-2-carboxylate, Peptidyl-prolyl cis-trans isomerase FKBP5 | | Authors: | Gaali, S, Kirschner, A, Cuboni, S, Hartmann, J, Kozany, C, Balsevich, G, Namendorf, C, Fernandez-Vizarra, P, Almeida, O.F.X, Ruehter, G, Uhr, M, Schmidt, M.V, Touma, C, Bracher, A, Hausch, F. | | Deposit date: | 2014-06-30 | | Release date: | 2014-11-26 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Selective inhibitors of the FK506-binding protein 51 by induced fit.
Nat.Chem.Biol., 11, 2015
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6BX6
 | | AMP-Activated protein kinase (AMPK) inhibition by SBI-0206965: alpha 2 kinase domain bound to SBI-0206965 | | Descriptor: | 2-({5-bromo-2-[(3,4,5-trimethoxyphenyl)amino]pyrimidin-4-yl}oxy)-N-methylbenzene-1-carboximidic acid, 5'-AMP-activated protein kinase catalytic subunit alpha-2 | | Authors: | Dite, T.A, Langendorf, C.G, Scott, J.W, Oakhill, J.S. | | Deposit date: | 2017-12-17 | | Release date: | 2018-05-09 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | AMP-activated protein kinase selectively inhibited by the type II inhibitor SBI-0206965.
J. Biol. Chem., 293, 2018
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4AIH
 | | Crystal structure of RovA from Yersinia in its free form | | Descriptor: | TRANSCRIPTIONAL REGULATOR SLYA | | Authors: | Quade, N, Mendonca, C, Herbst, K, Heroven, A.K, Heinz, D.W, Dersch, P. | | Deposit date: | 2012-02-09 | | Release date: | 2012-09-12 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural Basis for Intrinsic Thermosensing by the Master Virulence Regulator Rova of Yersinia.
J.Biol.Chem., 287, 2012
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6B2E
 | | Structure of full length human AMPK (a2b2g1) in complex with a small molecule activator SC4. | | Descriptor: | 5'-AMP-activated protein kinase catalytic subunit alpha-2, 5'-AMP-activated protein kinase subunit beta-2, 5'-AMP-activated protein kinase subunit gamma-1, ... | | Authors: | Ngoei, K.R.W, Langendorf, C.G, Ling, N.X.Y, Hoque, A, Johnson, S, Camerino, M.C, Walker, S.R, Bozikis, Y.E, Dite, T.A, Ovens, A.J, Smiles, W.J, Jacobs, R, Huang, H, Parker, M.W, Scott, J.W, Rider, M.H, Kemp, B.E, Foitzik, R.C, Baell, J.B, Oakhill, J.S. | | Deposit date: | 2017-09-19 | | Release date: | 2018-04-25 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (3.8 Å) | | Cite: | Structural Determinants for Small-Molecule Activation of Skeletal Muscle AMPK alpha 2 beta 2 gamma 1 by the Glucose Importagog SC4.
Cell Chem Biol, 25, 2018
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4AIJ
 | | Crystal structure of RovA from Yersinia in complex with a rovA promoter fragment | | Descriptor: | ROVA PROMOTER FRAGMENT, 5'-D(*AP*AP*TP*TP*AP*TP*AP*TP *TP*AP*TP*TP*TP*GP*AP*AP*TP*TP*AP*AP*T)-3', 5'-D(*TP*AP*TP*TP*AP*AP*TP*TP *CP*AP*AP*AP*TP*AP*AP*TP*AP*TP*AP*AP*T)-3', ... | | Authors: | Quade, N, Mendonca, C, Herbst, K, Heroven, A.K, Heinz, D.W, Dersch, P. | | Deposit date: | 2012-02-10 | | Release date: | 2012-09-12 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Structural Basis for Intrinsic Thermosensing by the Master Virulence Regulator Rova of Yersinia.
J.Biol.Chem., 287, 2012
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4AIK
 | | Crystal structure of RovA from Yersinia in complex with an invasin promoter fragment | | Descriptor: | ROVA PROMOTER FRAGMENT, 5'-D(*AP*TP*GP*AP*TP*AP*TP*TP *AP*TP**TP*TP*AP*TP*AP*TP*GP*AP*TP*AP*A)-3', 5'-D(*TP*TP*TP*AP*TP*CP*AP*TP *AP*TP*AP*AP*AP*TP*AP*AP*TP*AP*TP*CP*A)-3', ... | | Authors: | Quade, N, Mendonca, C, Herbst, K, Heroven, A.K, Heinz, D.W, Dersch, P. | | Deposit date: | 2012-02-10 | | Release date: | 2012-09-12 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structural Basis for Intrinsic Thermosensing by the Master Virulence Regulator Rova of Yersinia.
J.Biol.Chem., 287, 2012
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2R9Y
 | | Structure of antiplasmin | | Descriptor: | Alpha-2-antiplasmin | | Authors: | Law, R.H.P, Sofian, T, Kan, W.T, Horvath, A.J, Hitchen, C.R, Langendorf, C.G, Buckle, A.M, Whisstock, J.C, Coughlin, P.B. | | Deposit date: | 2007-09-14 | | Release date: | 2007-12-18 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | X-ray crystal structure of the fibrinolysis inhibitor {alpha}2-antiplasmin
Blood, 111, 2008
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6B1U
 | | Structure of full-length human AMPK (a2b1g1) in complex with a small molecule activator SC4 | | Descriptor: | 5'-AMP-activated protein kinase catalytic subunit alpha-2, 5'-AMP-activated protein kinase subunit beta-1, 5'-AMP-activated protein kinase subunit gamma-1, ... | | Authors: | Ngoei, K.R.W, Langendorf, C.G, Ling, N.X.Y, Hoque, A, Johnson, S, Camerino, M.C, Walker, S.R, Bozikis, Y.E, Dite, T.A, Ovens, A.J, Smiles, W.J, Jacobs, R, Huang, H, Parker, M.W, Scott, J.W, Rider, M.H, Kemp, B.E, Foitzik, R.C, Baell, J.B, Oakhill, J.S. | | Deposit date: | 2017-09-19 | | Release date: | 2018-04-25 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.77 Å) | | Cite: | Structural Determinants for Small-Molecule Activation of Skeletal Muscle AMPK alpha 2 beta 2 gamma 1 by the Glucose Importagog SC4.
Cell Chem Biol, 25, 2018
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