3DZ5
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![BU of 3dz5 by Molmil](/molmil-images/mine/3dz5) | Human AdoMetDC with covalently bound 5'-[(2-aminooxyethyl)methylamino]-5'-deoxy-8-methyladenosine | Descriptor: | 1,4-DIAMINOBUTANE, 5'-{[2-(aminooxy)ethyl](methyl)amino}-5'-deoxy-8-methyladenosine, S-adenosylmethionine decarboxylase alpha chain, ... | Authors: | Bale, S, McCloskey, D.E, Pegg, A.E, Secrist III, J.A, Guida, W.C, Ealick, S.E. | Deposit date: | 2008-07-29 | Release date: | 2009-03-10 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | New Insights into the Design of Inhibitors of Human S-Adenosylmethionine Decarboxylase: Studies of Adenine C8 Substitution in Structural Analogues of S-Adenosylmethionine J.Med.Chem., 52, 2009
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1AI2
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![BU of 1ai2 by Molmil](/molmil-images/mine/1ai2) | ISOCITRATE DEHYDROGENASE COMPLEXED WITH ISOCITRATE, NADP+, AND CALCIUM (FLASH-COOLED) | Descriptor: | ISOCITRATE CALCIUM COMPLEX, ISOCITRATE DEHYDROGENASE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Stoddard, B.L, Mesecar, A, Koshland Junior, D.E. | Deposit date: | 1997-04-30 | Release date: | 1997-10-15 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Orbital steering in the catalytic power of enzymes: small structural changes with large catalytic consequences. Science, 277, 1997
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2H5A
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![BU of 2h5a by Molmil](/molmil-images/mine/2h5a) | Complex of the enzyme PMM/PGM with xylose 1-phosphate | Descriptor: | 1-O-phosphono-alpha-D-xylopyranose, Phosphomannomutase/phosphoglucomutase, ZINC ION | Authors: | Regni, C, Shackelford, G.S, Beamer, L.J. | Deposit date: | 2006-05-25 | Release date: | 2006-08-08 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Complexes of the enzyme phosphomannomutase/phosphoglucomutase with a slow substrate and an inhibitor. Acta Crystallogr.,Sect.F, 62, 2006
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8EWV
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![BU of 8ewv by Molmil](/molmil-images/mine/8ewv) | DNA-encoded library (DEL)-enabled discovery of proximity inducing small molecules | Descriptor: | Bromodomain-containing protein 4, Elongin-B, Elongin-C, ... | Authors: | Schreiber, S.L, Shu, W, Ma, X, Michaud, G, Bonazzi, S, Berst, F. | Deposit date: | 2022-10-24 | Release date: | 2023-10-04 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | DNA-encoded library-enabled discovery of proximity-inducing small molecules. Nat.Chem.Biol., 20, 2024
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6BI7
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![BU of 6bi7 by Molmil](/molmil-images/mine/6bi7) | Crystal structure of Rev7-WT/Rev3 as a monomer under high-salt conditions | Descriptor: | DNA polymerase zeta catalytic subunit, Mitotic spindle assembly checkpoint protein MAD2B | Authors: | Rizzo, A.A, Korzhnev, D.M, Hao, B, Li, Y. | Deposit date: | 2017-11-01 | Release date: | 2018-08-01 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Rev7 dimerization is important for assembly and function of the Rev1/Pol zeta translesion synthesis complex. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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4FCP
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![BU of 4fcp by Molmil](/molmil-images/mine/4fcp) | Targetting conserved water molecules: Design of 4-aryl-5-cyanopyrrolo [2,3-d] pyrimidine Hsp90 inhibitors using fragment-based screening and structure-based optimization | Descriptor: | Heat shock protein HSP 90-alpha, N,N-dimethyl-7H-purin-6-amine | Authors: | Davies, N.G.M, Browne, H, Davies, B, Foloppe, N, Geoffrey, S, Gibbons, B, Hart, T, Drysdale, M, Mansell, H, Massey, A, Matassova, N, Moore, J.D, Murray, J, Pratt, R, Ray, S, Roughley, S.D, Jensen, M.R, Schoepfer, J, Scriven, K, Simmonite, H, Stokes, S, Surgenor, A, Webb, P, Wright, L, Brough, P. | Deposit date: | 2012-05-25 | Release date: | 2012-10-24 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Targeting conserved water molecules: Design of 4-aryl-5-cyanopyrrolo[2,3-d]pyrimidine Hsp90 inhibitors using fragment-based screening and structure-based optimization. Bioorg.Med.Chem., 20, 2012
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6EY2
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![BU of 6ey2 by Molmil](/molmil-images/mine/6ey2) | Crystal structure of XIAP-BIR3 in complex with a cIAP1-selective SM | Descriptor: | (3~{S},6~{S},7~{S},9~{a}~{S})-~{N}-[(4-~{tert}-butylphenyl)methyl]-7-(hydroxymethyl)-6-[[(2~{S})-2-(methylamino)butanoyl]amino]-5-oxidanylidene-1,2,3,6,7,8,9,9~{a}-octahydropyrrolo[1,2-a]azepine-3-carboxamide, E3 ubiquitin-protein ligase XIAP, ZINC ION | Authors: | Cossu, F, Corti, A, Milani, M, Mastrangelo, E. | Deposit date: | 2017-11-10 | Release date: | 2018-08-08 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structure-based design and molecular profiling of Smac-mimetics selective for cellular IAPs. FEBS J., 285, 2018
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7YNW
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![BU of 7ynw by Molmil](/molmil-images/mine/7ynw) | |
7EQT
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![BU of 7eqt by Molmil](/molmil-images/mine/7eqt) | |
7EQS
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![BU of 7eqs by Molmil](/molmil-images/mine/7eqs) | |
7EQW
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![BU of 7eqw by Molmil](/molmil-images/mine/7eqw) | |
1AI3
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![BU of 1ai3 by Molmil](/molmil-images/mine/1ai3) | ORBITAL STEERING IN THE CATALYTIC POWER OF ENZYMES: SMALL STRUCTURAL CHANGES WITH LARGE CATALYTIC CONSEQUENCES | Descriptor: | ISOCITRATE DEHYDROGENASE, ISOCITRIC ACID, MAGNESIUM ION, ... | Authors: | Stoddard, B.L, Mesecar, A, Koshland Junior, D.E. | Deposit date: | 1997-04-30 | Release date: | 1997-11-12 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Orbital steering in the catalytic power of enzymes: small structural changes with large catalytic consequences. Science, 277, 1997
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7ER1
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![BU of 7er1 by Molmil](/molmil-images/mine/7er1) | |
7ER0
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![BU of 7er0 by Molmil](/molmil-images/mine/7er0) | |
6X3Z
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![BU of 6x3z by Molmil](/molmil-images/mine/6x3z) | Human GABAA receptor alpha1-beta2-gamma2 subtype in complex with GABA | 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: | Kim, J.J, Gharpure, A, Teng, J, Zhuang, Y, Howard, R.J, Zhu, S, Noviello, C.M, Walsh, R.M, Lindahl, E, Hibbs, R.E. | Deposit date: | 2020-05-21 | Release date: | 2020-09-09 | Last modified: | 2023-11-15 | Method: | ELECTRON MICROSCOPY (3.23 Å) | Cite: | Shared structural mechanisms of general anaesthetics and benzodiazepines. Nature, 585, 2020
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5ZG1
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![BU of 5zg1 by Molmil](/molmil-images/mine/5zg1) | Crystal structure of the GluA2o LBD in complex with glutamate and Compound-2 | Descriptor: | 9-(4-~{tert}-butylphenyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine 2,2-dioxide, GLUTAMIC ACID, GLYCEROL, ... | Authors: | Sogabe, S, Igaki, S, Hirokawa, A, Zama, Y, Lane, W, Snell, G. | Deposit date: | 2018-03-07 | Release date: | 2019-01-16 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.32 Å) | Cite: | TAK-137, an AMPA-R potentiator with little agonistic effect, has a wide therapeutic window. Neuropsychopharmacology, 44, 2019
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5ZG2
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![BU of 5zg2 by Molmil](/molmil-images/mine/5zg2) | Crystal structure of the GluA2o LBD in complex with ZK200775 and Compound-2 | Descriptor: | 9-(4-~{tert}-butylphenyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine 2,2-dioxide, ACETATE ION, GLYCEROL, ... | Authors: | Sogabe, S, Igaki, S, Hirokawa, A, Zama, Y, Lane, W, Snell, G. | Deposit date: | 2018-03-07 | Release date: | 2019-01-16 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | TAK-137, an AMPA-R potentiator with little agonistic effect, has a wide therapeutic window. Neuropsychopharmacology, 44, 2019
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3MBP
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![BU of 3mbp by Molmil](/molmil-images/mine/3mbp) | MALTODEXTRIN-BINDING PROTEIN WITH BOUND MALTOTRIOSE | Descriptor: | MALTODEXTRIN-BINDING PROTEIN, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | Authors: | Spurlino, J.C, Quiocho, F.A. | Deposit date: | 1997-06-25 | Release date: | 1997-12-24 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Extensive features of tight oligosaccharide binding revealed in high-resolution structures of the maltodextrin transport/chemosensory receptor. Structure, 5, 1997
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4GVZ
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![BU of 4gvz by Molmil](/molmil-images/mine/4gvz) | Crystal structure of arginine kinase in complex with D-arginine, MgADP, and nitrate. | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Arginine kinase, D-ARGININE, ... | Authors: | Clark, S.A, Davulcu, O, Chapman, M.S. | Deposit date: | 2012-08-31 | Release date: | 2012-10-03 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.96 Å) | Cite: | Crystal structures of arginine kinase in complex with ADP, nitrate, and various phosphagen analogs. Biochem.Biophys.Res.Commun., 427, 2012
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4GW0
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![BU of 4gw0 by Molmil](/molmil-images/mine/4gw0) | Crystal structure of arginine kinase in complex with imino-L-ornithine, MgADP, and nitrate. | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Arginine kinase, MAGNESIUM ION, ... | Authors: | Clark, S.A, Davulcu, O, Chapman, M.S. | Deposit date: | 2012-08-31 | Release date: | 2012-10-03 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.448 Å) | Cite: | Crystal structures of arginine kinase in complex with ADP, nitrate, and various phosphagen analogs. Biochem.Biophys.Res.Commun., 427, 2012
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3DL5
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![BU of 3dl5 by Molmil](/molmil-images/mine/3dl5) | Crystal Structure of the A287F Active Site Mutant of TS-DHFR from Cryptosporidium hominis | Descriptor: | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, DIHYDROFOLIC ACID, ... | Authors: | Vargo, M.A, Martucci, W.E, Anderson, K.S. | Deposit date: | 2008-06-26 | Release date: | 2008-08-19 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.74 Å) | Cite: | Explaining an unusually fast parasitic enzyme: folate tail-binding residues dictate substrate positioning and catalysis in Cryptosporidium hominis thymidylate synthase. Biochemistry, 47, 2008
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4GW2
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![BU of 4gw2 by Molmil](/molmil-images/mine/4gw2) | Crystal structure of arginine kinase in complex with L-ornithine, MgADP, and nitrate. | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Arginine kinase, L-ornithine, ... | Authors: | Clark, S.A, Davulcu, O, Chapman, M.S. | Deposit date: | 2012-08-31 | Release date: | 2012-10-03 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.157 Å) | Cite: | Crystal structures of arginine kinase in complex with ADP, nitrate, and various phosphagen analogs. Biochem.Biophys.Res.Commun., 427, 2012
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2ZGN
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![BU of 2zgn by Molmil](/molmil-images/mine/2zgn) | crystal structure of recombinant Agrocybe aegerita lectin, rAAL, complex with galactose | Descriptor: | Anti-tumor lectin, beta-D-galactopyranose | Authors: | Yang, N, Li, D.F, Wang, D.C. | Deposit date: | 2008-01-23 | Release date: | 2009-01-20 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural basis for the tumor cell apoptosis-inducing activity of an antitumor lectin from the edible mushroom Agrocybe aegerita J.Mol.Biol., 387, 2009
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5IDE
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![BU of 5ide by Molmil](/molmil-images/mine/5ide) | Cryo-EM structure of GluA2/3 AMPA receptor heterotetramer (model I) | Descriptor: | Glutamate receptor 2, Glutamate receptor 3 | Authors: | Herguedas, B, Garcia-Nafria, J, Fernandez-Leiro, R, Greger, I.H. | Deposit date: | 2016-02-24 | Release date: | 2016-03-16 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (8.25 Å) | Cite: | Structure and organization of heteromeric AMPA-type glutamate receptors. Science, 352, 2016
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2ZIO
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![BU of 2zio by Molmil](/molmil-images/mine/2zio) | Crystal structure of the catalytic domain of pyrrolysyl-tRNA synthetase in complex with AlocLys-AMP and PNP | Descriptor: | 5'-O-[(S)-({(2S)-2-amino-6-[(propoxycarbonyl)amino]hexanoyl}oxy)(hydroxy)phosphoryl]adenosine, IMIDODIPHOSPHORIC ACID, Pyrrolysyl-tRNA synthetase | Authors: | Yanagisawa, T, Ishii, R, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2008-02-19 | Release date: | 2008-12-02 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | Multistep Engineering of Pyrrolysyl-tRNA Synthetase to Genetically Encode N(varepsilon)-(o-Azidobenzyloxycarbonyl) lysine for Site-Specific Protein Modification Chem.Biol., 15, 2008
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