8BU0
 
 | | Crystal structure of an 8 repeat consensus TPR superhelix with calcium | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, CALCIUM ION, ... | | 著者 | Liutkus, M, Rojas, A.L, Cortajarena, A.L. | | 登録日 | 2022-11-30 | | 公開日 | 2023-12-13 | | 最終更新日 | 2024-04-24 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Diverse crystalline protein scaffolds through metal-dependent polymorphism.
Protein Sci., 33, 2024
|
|
1GPK
 | | Structure of Acetylcholinesterase Complex with (+)-Huperzine A at 2.1A Resolution | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, ... | | 著者 | Dvir, H, Harel, M, Chetrit, M, Silman, I, Sussman, J.L. | | 登録日 | 2001-11-05 | | 公開日 | 2002-08-29 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | X-Ray Structures of Torpedo Californica Acetylcholinesterase Complexed with (+)-Huperzine a and (-)-Huperzine B: Structural Evidence for an Active Site Rearrangement
Biochemistry, 41, 2002
|
|
2CCI
 | | Crystal structure of phospho-CDK2 Cyclin A in complex with a peptide containing both the substrate and recruitment sites of CDC6 | | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, Cell division control protein 6 homolog, Cyclin-A2, ... | | 著者 | Cheng, K.Y, Noble, M.E.M, Skamnaki, V, Brown, N.R, Lowe, E.D, Kontogiannis, L, Shen, K, Cole, P.A, Siligardi, G, Johnson, L.N. | | 登録日 | 2006-01-16 | | 公開日 | 2006-05-03 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | The role of the phospho-CDK2/cyclin A recruitment site in substrate recognition.
J. Biol. Chem., 281, 2006
|
|
2CMF
 | | Torpedo californica acetylcholinesterase complexed with alkylene- linked bis-tacrine dimer (5 carbon linker) | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, N,N'-DI-1,2,3,4-TETRAHYDROACRIDIN-9-YLPENTANE-1,5-DIAMINE | | 著者 | Rydberg, E.H, Brumshtein, B, Greenblatt, H.M, Wong, D.M, Pang, Y.P, Silman, I, Sussman, J.L. | | 登録日 | 2006-05-08 | | 公開日 | 2006-09-04 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Complexes of alkylene-linked tacrine dimers with Torpedo californica acetylcholinesterase: Binding of Bis5-tacrine produces a dramatic rearrangement in the active-site gorge.
J. Med. Chem., 49, 2006
|
|
1GQS
 | | ACETYLCHOLINESTERASE (E.C. 3.1.1.7) COMPLEXED WITH NAP | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOL, ACETYLCHOLINESTERASE | | 著者 | Bar-on, P, Millard, C.B, Harel, M, Dvir, H, Enz, A, Sussman, J.L, Silman, I. | | 登録日 | 2001-12-04 | | 公開日 | 2002-03-15 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Kinetic and Structural Studies on the Interaction of Cholinesterases with the Anti-Alzheimer Drug Rivastigmine
Biochemistry, 41, 2002
|
|
8OT7
 | |
2CEK
 | | Conformational Flexibility in the Peripheral Site of Torpedo californica Acetylcholinesterase Revealed by the Complex Structure with a Bifunctional Inhibitor | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Sanson, B, Colletier, J.P, Nachon, F, Gabellieri, E, Fattorusso, C, Campiani, G, Weik, M. | | 登録日 | 2006-02-08 | | 公開日 | 2006-04-10 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Conformational flexibility in the peripheral site of Torpedo californica acetylcholinesterase revealed by the complex structure with a bifunctional inhibitor.
J. Am. Chem. Soc., 128, 2006
|
|
2CKM
 | | Torpedo californica acetylcholinesterase complexed with alkylene- linked bis-tacrine dimer (7 carbon linker) | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, N,N'-DI-1,2,3,4-TETRAHYDROACRIDIN-9-YLHEPTANE-1,7-DIAMINE | | 著者 | Brumshtein, B, Rydberg, E.H, Greenblatt, H.M, Wong, D.M, Shaya, D, Williams, L.D, Carlier, P.R, Pang, Y.P, Silman, I, Sussman, J.L. | | 登録日 | 2006-04-20 | | 公開日 | 2006-09-04 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Complexes of alkylene-linked tacrine dimers with Torpedo californica acetylcholinesterase: Binding of Bis5-tacrine produces a dramatic rearrangement in the active-site gorge.
J. Med. Chem., 49, 2006
|
|
1GPN
 | | STRUCTURE OF ACETYLCHOLINESTERASE COMPLEXED WITH HUPERZINE B AT 2.35A RESOLUTION | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, HUPERZINE B | | 著者 | Dvir, H, Harel, M, Jiang, H.L, Silman, I, Sussman, J.L. | | 登録日 | 2001-11-07 | | 公開日 | 2002-08-29 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | X-Ray Structures of Torpedo Californica Acetylcholinesterase Complexed with (+)-Huperzine a and (-)-Huperzine B: Structural Evidence for an Active Site Rearrangement
Biochemistry, 41, 2002
|
|
1ZAN
 | | Crystal structure of anti-NGF AD11 Fab | | 分子名称: | CHLORIDE ION, Fab AD11 Heavy Chain, Fab AD11 Light Chain | | 著者 | Covaceuszach, S, Cattaneo, A, Cassetta, A, Lamba, D. | | 登録日 | 2005-04-06 | | 公開日 | 2006-04-04 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Dissecting NGF interactions with TrkA and p75 receptors by structural and functional studies of an anti-NGF neutralizing antibody.
J.Mol.Biol., 381, 2008
|
|
1GQR
 | | ACETYLCHOLINESTERASE (E.C. 3.1.1.7) COMPLEXED WITH RIVASTIGMINE | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOL, ACETYLCHOLINESTERASE, ... | | 著者 | Raves, M.L, Harel, M, Silman, I, Sussman, J.L. | | 登録日 | 2001-12-04 | | 公開日 | 2002-03-15 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Kinetic and Structural Studies on the Interaction of Cholinesterases with the Anti-Alzheimer Drug Rivastigmine
Biochemistry, 41, 2002
|
|
1H23
 | | Structure of acetylcholinesterase (E.C. 3.1.1.7) complexed with (S,S)-(-)-bis(12)-hupyridone at 2.15A resolution | | 分子名称: | (S,S)-(-)-N,N'-DI-5'-[5',6',7',8'-TETRAHYDRO- 2'(1'H)-QUINOLYNYL]-1,12-DIAMINODODECANE DIHYDROCHLORIDE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE | | 著者 | Wong, D.M, Greenblatt, H.M, Carlier, P.R, Han, Y.F, Pang, Y.P, Silman, I, Sussman, J.L. | | 登録日 | 2002-07-30 | | 公開日 | 2002-12-23 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Acetylcholinesterase Complexed with Bivalent Ligands Related to Huperzine A: Experimental Evidence for Species-Dependent Protein-Ligand Complementarity
J.Am.Chem.Soc., 125, 2003
|
|
2EXL
 | | GRP94 N-terminal Domain bound to geldanamycin | | 分子名称: | Endoplasmin, GELDANAMYCIN, PENTAETHYLENE GLYCOL, ... | | 著者 | Reardon, P.N, Immormino, R.M, Gewirth, D.T. | | 登録日 | 2005-11-08 | | 公開日 | 2006-10-24 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Different poses for ligand and chaperone in inhibitor-bound Hsp90 and GRP94: implications for paralog-specific drug design.
J.Mol.Biol., 388, 2009
|
|
2ACI
 | |
1XQ7
 | |
2GCI
 | | The 1,1-proton transfer reaction mechanism by alpha-methylacyl-CoA racemase is catalyzed by an asparte/histidine pair and involves a smooth, methionine-rich surface for binding the fatty acyl moiety | | 分子名称: | (R)-2-METHYLMYRISTOYL-COENZYME A, GLYCEROL, probable alpha-methylacyl-CoA racemase MCR | | 著者 | Bhaumik, P, Wierenga, R.K. | | 登録日 | 2006-03-14 | | 公開日 | 2007-02-20 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | The Catalysis of the 1,1-Proton Transfer by alpha-Methyl-acyl-CoA Racemase Is Coupled to a Movement of the Fatty Acyl Moiety Over a Hydrophobic, Methionine-rich Surface
J.Mol.Biol., 367, 2007
|
|
2GY5
 | | Tie2 Ligand-Binding Domain Crystal Structure | | 分子名称: | 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiopoietin-1 receptor, ... | | 著者 | Barton, W.A, Nikolov, D.B. | | 登録日 | 2006-05-09 | | 公開日 | 2006-06-06 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Crystal structures of the Tie2 receptor ectodomain and the angiopoietin-2-Tie2 complex.
Nat.Struct.Mol.Biol., 13, 2006
|
|
8Q8I
 | | AO75L in complex with a synthetic trisaccharide acceptor. | | 分子名称: | (2~{R},3~{S},4~{S},5~{S},6~{R})-2-[(2~{S},3~{R},4~{R},5~{S},6~{R})-5-[(2~{R},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-methyl-6-octoxy-3-oxidanyl-oxan-4-yl]oxy-6-methyl-oxane-3,4,5-triol, 1,2-ETHANEDIOL, BICINE, ... | | 著者 | Laugueri, M.E, Speciale, I, Gimeno, A, Sicheng, L, Poveda, A, Lowary, T, Van Etten J, L, Barbero, J, De Castro, C, Tonetti, M, Rojas A, L. | | 登録日 | 2023-08-18 | | 公開日 | 2024-08-21 | | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | | 主引用文献 | AO75L in complex with a synthetic trisaccharide acceptor.
To Be Published
|
|
8RKS
 | | Structure of VPS29-VPS35 bound to the LFa motif R21 of Fam21. | | 分子名称: | Vacuolar protein sorting-associated protein 29, Vacuolar protein sorting-associated protein 35, WASH complex subunit 2A | | 著者 | Romano-Moreno, M, Astorga-Simon, E.N, Rojas, A.L, Hierro, A. | | 登録日 | 2023-12-30 | | 公開日 | 2024-04-24 | | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | | 主引用文献 | Retromer-mediated recruitment of the WASH complex involves discrete interactions between VPS35, VPS29, and FAM21.
Protein Sci., 33, 2024
|
|
4HBP
 | | Crystal Structure of FAAH in complex with inhibitor | | 分子名称: | 4-(3-phenyl-1,2,4-thiadiazol-5-yl)-N-(pyridin-3-yl)piperazine-1-carboxamide, Fatty-acid amide hydrolase 1 | | 著者 | Behnke, C, Skene, R.J. | | 登録日 | 2012-09-28 | | 公開日 | 2013-02-06 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.91 Å) | | 主引用文献 | Synthesis, SAR study, and biological evaluation of a series of piperazine ureas as fatty acid amide hydrolase (FAAH) inhibitors.
Bioorg.Med.Chem., 21, 2013
|
|
4A23
 | | Mus musculus Acetylcholinesterase in complex with racemic C5685 | | 分子名称: | 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, 4-(DIMETHYLAMINO)-N-{[(2R)-1-ETHYLPYRROLIDIN-2-YL]METHYL}-2-METHOXY-5-NITROBENZAMIDE, 4-(DIMETHYLAMINO)-N-{[(2S)-1-ETHYLPYRROLIDIN-2-YL]METHYL}-2-METHOXY-5-NITROBENZAMIDE, ... | | 著者 | Berg, L, Andersson, C.D, Artrursson, E, Hornberg, A, Tunemalm, A.K, Linusson, A, Ekstrom, F. | | 登録日 | 2011-09-22 | | 公開日 | 2011-12-07 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Targeting Acetylcholinesterase: Identification of Chemical Leads by High Throughput Screening, Structure Determination and Molecular Modeling.
Plos One, 6, 2011
|
|
4ARA
 | | Mus musculus Acetylcholinesterase in complex with (R)-C5685 at 2.5 A resolution. | | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(DIMETHYLAMINO)-N-{[(2R)-1-ETHYLPYRROLIDIN-2-YL]METHYL}-2-METHOXY-5-NITROBENZAMIDE, ... | | 著者 | Berg, L, Niemiec, M.S, Qian, W, Andersson, C.D, WittungStafshede, P, Ekstrom, F, Linusson, A. | | 登録日 | 2012-04-23 | | 公開日 | 2012-11-28 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Similar But Different: Thermodynamic and Structural Characterization of a Pair of Enantiomers Binding to Acetylcholinesterase.
Angew.Chem.Int.Ed.Engl., 51, 2012
|
|
4A16
 | | Structure of mouse Acetylcholinesterase complex with Huprine derivative | | 分子名称: | (1-{4-[(7S,11S)-12-AMINO-3-CHLORO-6,7,10,11-TETRAHYDRO-7,11-METHANOCYCLOOCTA[B]QUINOLIN-9-YL]BUTYL}-1H-1,2,3-TRIAZOL-4-YL)METHANOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, ... | | 著者 | Carletti, E, Colletier, J.P, Nachon, F, Weik, M, Ronco, C, Jean, L, Renard, P.Y. | | 登録日 | 2011-09-14 | | 公開日 | 2012-03-28 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | | 主引用文献 | Huprine Derivatives as Sub-Nanomolar Human Acetylcholinesterase Inhibitors: From Rational Design to Validation by X-Ray Crystallography.
Chemmedchem, 7, 2012
|
|
1M63
 | | Crystal structure of calcineurin-cyclophilin-cyclosporin shows common but distinct recognition of immunophilin-drug complexes | | 分子名称: | CALCINEURIN B SUBUNIT ISOFORM 1, CALCIUM ION, CYCLOSPORIN A, ... | | 著者 | Huai, Q, Kim, H.-Y, Liu, Y, Zhao, Y, Mondragon, A, Liu, J.O, Ke, H. | | 登録日 | 2002-07-12 | | 公開日 | 2002-09-25 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Crystal Structure of Calcineurin-Cyclophilin-Cyclosporin Shows Common But Distinct Recognition of Immunophilin-Drug Complexes
Proc.Natl.Acad.Sci.USA, 99, 2002
|
|
1MF8
 | |
