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4ZHX
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BU of 4zhx by Molmil
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
5EZV
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BU of 5ezv by Molmil
X-ray crystal structure of AMP-activated protein kinase alpha-2/alpha-1 RIM chimaera (alpha-2(1-347)/alpha-1(349-401)/alpha-2(397-end) beta-1 gamma-1) co-crystallized with C2 (5-(5-hydroxyl-isoxazol-3-yl)-furan-2-phosphonic acid)
Descriptor: 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/alpha-1 RIM SWAP chimera, 5'-AMP-activated protein kinase subunit beta-1, ...
Authors:Langendorf, C.G, Kemp, B.E.
Deposit date:2015-11-26
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
3VP6
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BU of 3vp6 by Molmil
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
3JZ4
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BU of 3jz4 by Molmil
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
7MYJ
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BU of 7myj by Molmil
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:2023-10-18
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
6EF5
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BU of 6ef5 by Molmil
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:2023-10-11
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:14-3-3 with peptide
To Be Published
6B2E
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BU of 6b2e by Molmil
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:2023-10-04
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
6B1U
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BU of 6b1u by Molmil
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
6BX6
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BU of 6bx6 by Molmil
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
2R9Y
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BU of 2r9y by Molmil
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
5VT1
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BU of 5vt1 by Molmil
Crystal Structure of the Human CAMKK2B bound to a thiadiazinone benzamide inhibitor
Descriptor: 4-({5-[(3-hydroxy-4-methylphenyl)amino]-4-oxo-4H-1,2,6-thiadiazin-3-yl}amino)benzamide, Calcium/calmodulin-dependent protein kinase kinase 2, MAGNESIUM ION
Authors:Counago, R.M, Asquith, C.R.M, Arruda, P, Edwards, A.M, Gileadi, O, Kalogirou, A.S, Koutentis, P.A, Structural Genomics Consortium (SGC)
Deposit date:2017-05-15
Release date:2017-05-24
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:1,2,6-Thiadiazinones as Novel Narrow Spectrum Calcium/Calmodulin-Dependent Protein Kinase Kinase 2 (CaMKK2) Inhibitors.
Molecules, 23, 2018
3H7O
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BU of 3h7o by Molmil
Crystal structure of scabies mite inactivated protease paralogue S-I1 (SMIPP-S-I1)
Descriptor: GLYCEROL, Group 3 allergen SMIPP-S Yv6023A04, SULFATE ION
Authors:Buckle, A.M.
Deposit date:2009-04-28
Release date:2009-05-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural mechanisms of inactivation in scabies mite serine protease paralogues.
J.Mol.Biol., 390, 2009
3H7T
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BU of 3h7t by Molmil
Crystal structure of scabies mite inactivated protease paralogue S-D1 (SMIPP-S-D1)
Descriptor: Group 3 allergen SMIPP-S YvT004A06, ZINC ION
Authors:Buckle, A.M.
Deposit date:2009-04-28
Release date:2009-05-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural mechanisms of inactivation in scabies mite serine protease paralogues.
J.Mol.Biol., 390, 2009

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