6EZH
 
 | | Torpedo californica AChE in complex with indolic multi-target directed ligand | | Descriptor: | 1-(7-chloranyl-4-methoxy-1~{H}-indol-5-yl)-3-[1-(cyclohexylmethyl)piperidin-4-yl]propan-1-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase | | Authors: | Santoni, G, Lalut, J, Karila, D, Lecoutey, C, Davis, A, Nachon, F, Sillman, I, Sussman, J, Weik, M, Maurice, T, Dallemagne, P, Rochais, C. | | Deposit date: | 2017-11-15 | | Release date: | 2018-11-21 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Novel multitarget-directed ligands targeting acetylcholinesterase and sigma1receptors as lead compounds for treatment of Alzheimer's disease: Synthesis, evaluation, and structural characterization of their complexes with acetylcholinesterase.
Eur J Med Chem, 162, 2018
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6ZIC
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2OBC
 | | The crystal structure of RibD from Escherichia coli in complex with a substrate analogue, ribose 5-phosphate (beta form), bound to the active site of the reductase domain | | Descriptor: | 5-O-phosphono-beta-D-ribofuranose, Riboflavin biosynthesis protein ribD | | Authors: | Moche, M, Stenmark, P, Gurmu, D, Nordlund, P, Structural Proteomics in Europe (SPINE) | | Deposit date: | 2006-12-18 | | Release date: | 2007-02-13 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | The crystal structure of the bifunctional deaminase/reductase RibD of the riboflavin biosynthetic pathway in Escherichia coli: implications for the reductive mechanism.
J.Mol.Biol., 373, 2007
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3KGQ
 | | Carboxypeptidase A liganded to an organic small-molecule: conformational changes | | Descriptor: | ACETONE, CITRIC ACID, Carboxypeptidase A1, ... | | Authors: | Fernandez, D, Boix, E, Pallares, I, Aviles, F.X, Vendrell, J. | | Deposit date: | 2009-10-29 | | Release date: | 2010-10-27 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural and Functional Analysis of the Complex between Citrate and the Zinc Peptidase Carboxypeptidase A
Enzyme Res, 2011, 2011
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2I7G
 | | Crystal Structure of Monooxygenase from Agrobacterium tumefaciens | | Descriptor: | DI(HYDROXYETHYL)ETHER, Monooxygenase, SULFATE ION | | Authors: | Kim, Y, Xu, X, Zheng, H, Joachimiak, A, Edwards, A, Savchenko, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2006-08-30 | | Release date: | 2006-10-03 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | The Crystal Structure of Monooxygenase from Agrobacterium tumefaciens
To be Published, 2006
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6ZFZ
 | | Structure of M1-StaR-T4L in complex with 77-LH-28-1 at 2.17A | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 1-[3-(4-butylpiperidin-1-yl)propyl]-3,4-dihydroquinolin-2-one, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | Authors: | Rucktooa, P, Cooke, R.M. | | Deposit date: | 2020-06-18 | | Release date: | 2021-10-06 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.17 Å) | | Cite: | From structure to clinic: Design of a muscarinic M1 receptor agonist with potential to treatment of Alzheimer's disease.
Cell, 184, 2021
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6ZG9
 | | Structure of M1-StaR-T4L in complex with GSK1034702 at 2.5A | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 7-fluoranyl-5-methyl-3-[1-(oxan-4-yl)piperidin-4-yl]-1~{H}-benzimidazol-2-one, Muscarinic acetylcholine receptor M1,Endolysin,Muscarinic acetylcholine receptor M1, ... | | Authors: | Rucktooa, P, Cooke, R.M. | | Deposit date: | 2020-06-18 | | Release date: | 2021-10-06 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | From structure to clinic: Design of a muscarinic M1 receptor agonist with potential to treatment of Alzheimer's disease.
Cell, 184, 2021
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6ZG4
 | | Structure of M1-StaR-T4L in complex with HTL0009936 at 2.35A | | Descriptor: | Muscarinic acetylcholine receptor M1,Endolysin,Muscarinic acetylcholine receptor M1, OLEIC ACID, PHOSPHATE ION, ... | | Authors: | Rucktooa, P, Cooke, R.M. | | Deposit date: | 2020-06-18 | | Release date: | 2021-10-06 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | From structure to clinic: Design of a muscarinic M1 receptor agonist with potential to treatment of Alzheimer's disease.
Cell, 184, 2021
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6F2I
 | | Crystal structure of Hen Egg-White Lysozyme co-crystallized in presence of 100 mM Tb-Xo4 | | Descriptor: | ACETATE ION, CHLORIDE ION, Lysozyme C, ... | | Authors: | Engilberge, S, Riobe, F, DI Pietro, S, Girard, E, Dumont, E, Maury, O. | | Deposit date: | 2017-11-24 | | Release date: | 2018-10-03 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Unveiling the Binding Modes of the Crystallophore, a Terbium-based Nucleating and Phasing Molecular Agent for Protein Crystallography.
Chemistry, 24, 2018
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8B5M
 | | Crystal structure of GH47 alpha-1,2-mannosidase from Caulobacter K31 strain in complex with cyclosulfamidate inhibitor | | Descriptor: | (3aR,4S,5S,6R,7R,7aS)-7-(hydroxymethyl)-2,2-bis(oxidanylidene)-3a,4,5,6,7,7a-hexahydro-3H-benzo[d][1,2,3]oxathiazole-4,5,6-triol, CALCIUM ION, Mannosyl-oligosaccharide 1,2-alpha-mannosidase, ... | | Authors: | Males, A, Davies, G.J. | | Deposit date: | 2022-09-23 | | Release date: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (0.97 Å) | | Cite: | GH47 and Cyclosulfamidate
To Be Published
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6F22
 | | Complex between MTH1 and compound 29 (a 4-amino-2,7-diazaindole derivative) | | Descriptor: | (3~{S})-3-phenyl-4-(2~{H}-pyrazolo[3,4-b]pyridin-4-yl)morpholine, 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION | | Authors: | Viklund, J, Talagas, A, Tresaugues, L, Andersson, M, Ericsson, U, Forsblom, R, Ginman, T, Hallberg, K, Lindstrom, J, Persson, L, Silvander, C, Rahm, F. | | Deposit date: | 2017-11-23 | | Release date: | 2018-03-07 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Creation of a Novel Class of Potent and Selective MutT Homologue 1 (MTH1) Inhibitors Using Fragment-Based Screening and Structure-Based Drug Design.
J. Med. Chem., 61, 2018
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6ZK1
 | | Plant nucleoside hydrolase - ZmNRh2b enzyme | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Morera, S, Vigouroux, A, Kopecny, D. | | Deposit date: | 2020-06-29 | | Release date: | 2022-01-12 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Plant nucleoside N-ribohydrolases: riboside binding and role in nitrogen storage mobilization.
Plant J., 2023
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6ZK2
 | | Plant nucleoside hydrolase - ZmNRh2b in complex with forodesine | | Descriptor: | 1,2-ETHANEDIOL, 1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN-9-YL)-D-RIBITOL, CALCIUM ION, ... | | Authors: | Morera, S, Vigouroux, A, Kopecny, D. | | Deposit date: | 2020-06-29 | | Release date: | 2022-01-12 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Plant nucleoside N-ribohydrolases: riboside binding and role in nitrogen storage mobilization.
Plant J., 2023
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6ZK3
 | | Plant nucleoside hydrolase - ZmNRh2b in complex with ribose | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Morera, S, Vigouroux, A, Kopecny, D. | | Deposit date: | 2020-06-29 | | Release date: | 2022-01-12 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Plant nucleoside N-ribohydrolases: riboside binding and role in nitrogen storage mobilization.
Plant J., 2023
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6ZK4
 | | Plant nucleoside hydrolase - ZmNRh2b with a bound adenine | | Descriptor: | 1,2-ETHANEDIOL, ADENINE, CALCIUM ION, ... | | Authors: | Morera, S, Vigouroux, A, Kopecny, D. | | Deposit date: | 2020-06-29 | | Release date: | 2022-01-12 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Plant nucleoside N-ribohydrolases: riboside binding and role in nitrogen storage mobilization.
Plant J., 2023
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6ZK5
 | | Plant nucleoside hydrolase - ZmNRh3 enzyme in complex with forodesine | | Descriptor: | 1,2-ETHANEDIOL, 1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN-9-YL)-D-RIBITOL, CALCIUM ION, ... | | Authors: | Morera, S, Vigouroux, A, Kopecny, D. | | Deposit date: | 2020-06-29 | | Release date: | 2022-01-12 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Plant nucleoside N-ribohydrolases: riboside binding and role in nitrogen storage mobilization.
Plant J., 2023
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3L0O
 | | Structure of RNA-free Rho transcription termination factor from Thermotoga maritima | | Descriptor: | SODIUM ION, SULFATE ION, Transcription termination factor rho, ... | | Authors: | Canals, A, Uson, I, Coll, M. | | Deposit date: | 2009-12-10 | | Release date: | 2010-05-26 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | The Structure of RNA-Free Rho Termination Factor Indicates a Dynamic Mechanism of Transcript Capture
J.Mol.Biol., 400, 2010
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6F88
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2I25
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6F9Y
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3L4D
 | | Crystal structure of sterol 14-alpha demethylase (CYP51) from Leishmania infantum in complex with fluconazole | | Descriptor: | 2-(2,4-DIFLUOROPHENYL)-1,3-DI(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL, 3,6,9,12,15-PENTAOXATRICOSAN-1-OL, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Lepesheva, G.I, Hargrove, T.Y, Wawrzak, Z, Waterman, M.R. | | Deposit date: | 2009-12-19 | | Release date: | 2009-12-29 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Substrate Preferences and Catalytic Parameters Determined by Structural Characteristics of Sterol 14{alpha}-Demethylase (CYP51) from Leishmania infantum.
J.Biol.Chem., 286, 2011
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2OBH
 | | Centrin-XPC peptide | | Descriptor: | CALCIUM ION, Centrin-2, DNA-repair protein complementing XP-C cells | | Authors: | Charbonnier, J.B. | | Deposit date: | 2006-12-19 | | Release date: | 2007-10-09 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural, thermodynamic, and cellular characterization of human centrin 2 interaction with xeroderma pigmentosum group C protein.
J.Mol.Biol., 373, 2007
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2IAA
 | | Crystal Structure of an Electron Transfer Complex Between Aromatic Amine Dephydrogenase and Azurin from Alcaligenes Faecalis (Form 2) | | Descriptor: | Aromatic Amine Dehydrogenase, Azurin, COPPER (II) ION | | Authors: | Sukumar, N, Chen, Z, Leys, D, Scrutton, N.S, Ferrati, D, Merli, A, Rossi, G.L, Bellamy, H.D, Chistoserdov, A, Davidson, V.L, Mathews, F.S. | | Deposit date: | 2006-09-07 | | Release date: | 2006-11-21 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Crystal Structure of an Electron Transfer Complex between Aromatic Amine Dehydrogenase and Azurin from Alcaligenes faecalis.
Biochemistry, 45, 2006
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2HE5
 | | Crystal structure of 17alpha-hydroxysteroid dehydrogenase in binary complex with NADP(H) in an open conformation | | Descriptor: | ACETATE ION, Aldo-keto reductase family 1, member C21, ... | | Authors: | Faucher, F, Pereira de Jesus-Tran, K, Cantin, L, Luu-the, V, Labrie, F, Breton, R. | | Deposit date: | 2006-06-21 | | Release date: | 2006-12-05 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Crystal Structures of Mouse 17alpha-Hydroxysteroid Dehydrogenase (Apoenzyme and Enzyme-NADP(H) Binary Complex): Identification of Molecular Determinants Responsible for the Unique 17alpha-reductive Activity of this Enzyme.
J.Mol.Biol., 364, 2006
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2HEA
 | | CONTRIBUTION OF WATER MOLECULES IN THE INTERIOR OF A PROTEIN TO THE CONFORMATIONAL STABILITY | | Descriptor: | LYSOZYME, SODIUM ION | | Authors: | Takano, K, Funahashi, J, Yamagata, Y, Fujii, S, Yutani, K. | | Deposit date: | 1997-09-16 | | Release date: | 1998-01-14 | | Last modified: | 2021-11-03 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Contribution of water molecules in the interior of a protein to the conformational stability.
J.Mol.Biol., 274, 1997
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