6SPQ
| Structure of the Escherichia coli methionyl-tRNA synthetase variant VI298 complexed with methionine | Descriptor: | CITRIC ACID, GLYCEROL, METHIONINE, ... | Authors: | Nigro, G, Schmitt, E, Mechulam, Y. | Deposit date: | 2019-09-02 | Release date: | 2020-01-01 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | Use of beta3-methionine as an amino acid substrate of Escherichia coli methionyl-tRNA synthetase. J.Struct.Biol., 209, 2020
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8BH3
| DNA-PK Ku80 mediated dimer bound to PAXX | Descriptor: | DNA (25-MER), DNA (26-MER), DNA (27-MER), ... | Authors: | Hardwick, S.W, Chaplin, A.K. | Deposit date: | 2022-10-28 | Release date: | 2023-06-07 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (4.55 Å) | Cite: | PAXX binding to the NHEJ machinery explains functional redundancy with XLF. Sci Adv, 9, 2023
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8BHV
| DNA-PK XLF mediated dimer bound to PAXX | Descriptor: | DNA (24-MER), DNA (26-MER), DNA (27-MER), ... | Authors: | Hardwick, S.W, Chaplin, A.K. | Deposit date: | 2022-11-01 | Release date: | 2023-06-07 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (4.51 Å) | Cite: | PAXX binding to the NHEJ machinery explains functional redundancy with XLF. Sci Adv, 9, 2023
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8BHY
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7APW
| The Fk1 domain of FKBP51 in complex with (1S,5S,6R)-10-(benzo[d]thiazol-6-ylsulfonyl)-5-(methoxymethyl)-3-(pyridin-2-ylethyl)-3,10-diazabicyclo[4.3.1]decan-2-one | Descriptor: | (1S,5S,6R)-10-(benzo[d]thiazol-6-ylsulfonyl)-5-(methoxymethyl)-3-(pyridin-2-ylethyl)-3,10-diazabicyclo[4.3.1]decan-2-one, Peptidyl-prolyl cis-trans isomerase FKBP5 | Authors: | Voll, A.M, Kolos, J.M, Pomplun, S, Riess, B, Purder, P, Merz, S, Bracher, A, Meyners, C, Krewald, V, Hausch, F. | Deposit date: | 2020-10-20 | Release date: | 2021-11-10 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (0.89 Å) | Cite: | Picomolar FKBP inhibitors enabled by a single water-displacing methyl group in bicyclic [4.3.1] aza-amides. Chem Sci, 12, 2021
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2IKG
| Aldose reductase complexed with nitrophenyl-oxadiazol type inhibitor at 1.43 A | Descriptor: | 4-[3-(3-NITROPHENYL)-1,2,4-OXADIAZOL-5-YL]BUTANOIC ACID, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Steuber, H, Koch, C, Heine, A, Klebe, G. | Deposit date: | 2006-10-02 | Release date: | 2007-05-01 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | Structural and Thermodynamic Study on Aldose Reductase: Nitro-substituted Inhibitors with Strong Enthalpic Binding Contribution J.Mol.Biol., 368, 2007
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7QSL
| Bovine complex I in lipid nanodisc, Active-apo | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, Acyl carrier protein, ... | Authors: | Chung, I, Bridges, H.R, Hirst, J. | Deposit date: | 2022-01-13 | Release date: | 2022-05-25 | Last modified: | 2022-09-28 | Method: | ELECTRON MICROSCOPY (2.76 Å) | Cite: | Cryo-EM structures define ubiquinone-10 binding to mitochondrial complex I and conformational transitions accompanying Q-site occupancy. Nat Commun, 13, 2022
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7QSN
| Bovine complex I in lipid nanodisc, Deactive-apo | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, Acyl carrier protein, ... | Authors: | Chung, I, Bridges, H.R, Hirst, J. | Deposit date: | 2022-01-13 | Release date: | 2022-05-25 | Last modified: | 2022-09-28 | Method: | ELECTRON MICROSCOPY (2.81 Å) | Cite: | Cryo-EM structures define ubiquinone-10 binding to mitochondrial complex I and conformational transitions accompanying Q-site occupancy. Nat Commun, 13, 2022
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5IE3
| Crystal structure of a plant enzyme | Descriptor: | ADENOSINE MONOPHOSPHATE, OXALIC ACID, Oxalate--CoA ligase | Authors: | Fan, M.R, Li, M, Chang, W.R. | Deposit date: | 2016-02-24 | Release date: | 2016-12-07 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal Structures of Arabidopsis thaliana Oxalyl-CoA Synthetase Essential for Oxalate Degradation Mol Plant, 9, 2016
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7QSK
| Bovine complex I in lipid nanodisc, Active-Q10 | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, Acyl carrier protein, ... | Authors: | Chung, I, Bridges, H.R, Hirst, J. | Deposit date: | 2022-01-13 | Release date: | 2022-05-25 | Last modified: | 2022-09-28 | Method: | ELECTRON MICROSCOPY (2.84 Å) | Cite: | Cryo-EM structures define ubiquinone-10 binding to mitochondrial complex I and conformational transitions accompanying Q-site occupancy. Nat Commun, 13, 2022
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7QSO
| Bovine complex I in lipid nanodisc, State 3 (Slack) | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, Acyl carrier protein, ... | Authors: | Chung, I, Bridges, H.R, Hirst, J. | Deposit date: | 2022-01-13 | Release date: | 2022-05-25 | Last modified: | 2022-09-28 | Method: | ELECTRON MICROSCOPY (3.02 Å) | Cite: | Cryo-EM structures define ubiquinone-10 binding to mitochondrial complex I and conformational transitions accompanying Q-site occupancy. Nat Commun, 13, 2022
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1KKF
| Complex of E. coli Adenylosuccinate Synthetase with IMP, Hadacidin, Pyrophosphate, and Mg | Descriptor: | Adenylosuccinate Synthetase, DIPHOSPHATE, HADACIDIN, ... | Authors: | Hou, Z, Wang, W, Fromm, H.J, Honzatko, R.B. | Deposit date: | 2001-12-07 | Release date: | 2002-03-20 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | IMP Alone Organizes the Active Site of Adenylosuccinate Synthetase from Escherichia coli. J.Biol.Chem., 277, 2002
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3K41
| Crystal structure of sCD-MPR mutant E19Q/K137M bound to Man-6-P | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 6-O-phosphono-beta-D-mannopyranose, Cation-dependent mannose-6-phosphate receptor, ... | Authors: | Olson, L.J, Sun, G, Bohnsack, R.N, Peterson, F.C, Dahms, N.M, Kim, J.J.P. | Deposit date: | 2009-10-05 | Release date: | 2009-11-24 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Intermonomer interactions are essential for lysosomal enzyme binding by the cation-dependent mannose 6-phosphate receptor. Biochemistry, 49, 2010
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1YDK
| Crystal structure of the I219A mutant of human glutathione transferase A1-1 with S-hexylglutathione | Descriptor: | Glutathione S-transferase A1, S-HEXYLGLUTATHIONE | Authors: | Kuhnert, D.C, Sayed, Y, Mosebi, S, Sayed, M, Sewell, T, Dirr, H.W. | Deposit date: | 2004-12-24 | Release date: | 2005-06-07 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Tertiary Interactions Stabilise the C-terminal Region of Human Glutathione Transferase A1-1: a Crystallographic and Calorimetric Study. J.Mol.Biol., 349, 2005
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7TEF
| Cytochrome P450 14 alpha-sterol demethylase CYP51 from Mycobacterium marinum | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Cytochrome P450 51B1 Cyp51B1, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Mohamed, H.A, Bruning, J.B, Bell, S.G. | Deposit date: | 2022-01-04 | Release date: | 2022-11-30 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | A comparison of the bacterial CYP51 cytochrome P450 enzymes from Mycobacterium marinum and Mycobacterium tuberculosis. J.Steroid Biochem.Mol.Biol., 221, 2022
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2Z8L
| Crystal Structure of the Staphylococcal superantigen-like protein SSL5 at pH 4.6 complexed with sialyl Lewis X | Descriptor: | Exotoxin 3, GLYCEROL, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-[alpha-L-fucopyranose-(1-3)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Baker, H.M, Basu, I, Chung, M.C, Caradoc Davies, T, Fraser, J.D, Baker, E.N. | Deposit date: | 2007-09-06 | Release date: | 2007-11-27 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Crystal structures of the staphylococcal toxin SSL5 in complex with sialyl Lewis X reveal a conserved binding site that shares common features with viral and bacterial sialic acid binding proteins J.Mol.Biol., 374, 2007
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5KUF
| GluK2EM with 2S,4R-4-methylglutamate | Descriptor: | 2S,4R-4-METHYLGLUTAMATE, Glutamate receptor ionotropic, kainate 2 | Authors: | Meyerson, J.R, Chittori, S, Merk, A, Rao, P, Han, T.H, Serpe, M, Mayer, M.L, Subramaniam, S. | Deposit date: | 2016-07-13 | Release date: | 2016-09-07 | Last modified: | 2019-11-27 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Structural basis of kainate subtype glutamate receptor desensitization. Nature, 537, 2016
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1KJX
| IMP Complex of E. Coli Adenylosuccinate Synthetase | Descriptor: | Adenylosuccinate Synthetase, INOSINIC ACID | Authors: | Hou, Z, Wang, W, Fromm, H.J, Honzatko, R.B. | Deposit date: | 2001-12-05 | Release date: | 2002-03-20 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | IMP Alone Organizes the Active Site of Adenylosuccinate Synthetase from Escherichia coli. J.Biol.Chem., 277, 2002
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3K43
| Crystal structure of sCD-MPR mutant E19Q/K137M pH 6.5 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, Cation-dependent mannose-6-phosphate receptor, ... | Authors: | Olson, L.J, Sun, G, Bohnsack, R.N, Peterson, F.C, Dahms, N.M, Kim, J.J.P. | Deposit date: | 2009-10-05 | Release date: | 2009-11-24 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Intermonomer interactions are essential for lysosomal enzyme binding by the cation-dependent mannose 6-phosphate receptor. Biochemistry, 49, 2010
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8DD2
| Human GABAA receptor alpha1-beta2-gamma2 subtype in complex with GABA plus Zolpidem | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GAMMA-AMINO-BUTANOIC ACID, ... | Authors: | Zhu, S, Hibbs, R.E. | Deposit date: | 2022-06-17 | Release date: | 2022-08-17 | Last modified: | 2023-11-15 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Structural and dynamic mechanisms of GABA A receptor modulators with opposing activities. Nat Commun, 13, 2022
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8DD3
| Human GABAA receptor alpha1-beta2-gamma2 subtype in complex with GABA plus DMCM | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GAMMA-AMINO-BUTANOIC ACID, ... | Authors: | Zhu, S, Hibbs, R.E. | Deposit date: | 2022-06-17 | Release date: | 2022-08-17 | Last modified: | 2023-11-15 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Structural and dynamic mechanisms of GABA A receptor modulators with opposing activities. Nat Commun, 13, 2022
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6TO3
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1KKB
| Complex of Escherichia coli Adenylosuccinate Synthetase with IMP and Hadacidin | Descriptor: | Adenylosuccinate Synthetase, HADACIDIN, INOSINIC ACID | Authors: | Hou, Z, Wang, W, Fromm, H.J, Honzatko, R.B. | Deposit date: | 2001-12-06 | Release date: | 2002-03-20 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | IMP Alone Organizes the Active Site of Adenylosuccinate Synthetase from Escherichia coli. J.Biol.Chem., 277, 2002
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3K42
| Crystal structure of sCD-MPR mutant E19Q/K137M pH 7.0 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Cation-dependent mannose-6-phosphate receptor, SN-GLYCEROL-1-PHOSPHATE, ... | Authors: | Olson, L.J, Sun, G, Bohnsack, R.N, Peterson, F.C, Dahms, N.M, Kim, J.J.P. | Deposit date: | 2009-10-05 | Release date: | 2009-11-24 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Intermonomer interactions are essential for lysosomal enzyme binding by the cation-dependent mannose 6-phosphate receptor. Biochemistry, 49, 2010
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3NX8
| human cAMP dependent protein kinase in complex with phenol | Descriptor: | PHENOL, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha | Authors: | Koester, H, Heine, A, Klebe, G. | Deposit date: | 2010-07-13 | Release date: | 2011-07-13 | Last modified: | 2012-02-15 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Experimental and computational active site mapping as a starting point to fragment-based lead discovery. Chemmedchem, 7, 2012
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