4EY8
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![BU of 4ey8 by Molmil](/molmil-images/mine/4ey8) | Crystal structure of recombinant human acetylcholinesterase in complex with fasciculin-2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase, Fasciculin-2, ... | Authors: | Cheung, J, Rudolph, M, Burshteyn, F, Cassidy, M, Gary, E, Love, J, Height, J, Franklin, M. | Deposit date: | 2012-05-01 | Release date: | 2012-10-17 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.5958 Å) | Cite: | Structures of human acetylcholinesterase in complex with pharmacologically important ligands. J.Med.Chem., 55, 2012
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6PDC
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![BU of 6pdc by Molmil](/molmil-images/mine/6pdc) | Crystal structure of MYST acetyltransferase domain in complex with inhibitor 42 | Descriptor: | 2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-[(prop-2-en-1-yl)oxy]benzohydrazide, GLYCEROL, Histone acetyltransferase KAT8, ... | Authors: | Hermans, S.J, Parker, M.W, Thomas, T, Baell, J.B. | Deposit date: | 2019-06-18 | Release date: | 2020-04-01 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Discovery of Acylsulfonohydrazide-Derived Inhibitors of the Lysine Acetyltransferase, KAT6A, as Potent Senescence-Inducing Anti-Cancer Agents. J.Med.Chem., 63, 2020
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6PME
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![BU of 6pme by Molmil](/molmil-images/mine/6pme) | TRK-A IN COMPLEX WITH LIGAND | Descriptor: | High affinity nerve growth factor receptor, N-[2,4-bis(morpholin-4-yl)phenyl]-3-phenoxybenzamide, S,R MESO-TARTARIC ACID, ... | Authors: | Subramanian, G, Brown, D.G. | Deposit date: | 2019-07-01 | Release date: | 2020-02-26 | Last modified: | 2021-02-03 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Synthetic inhibitor leads of human tropomyosin receptor kinase A ( h TrkA). Rsc Med Chem, 11, 2020
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5UFV
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![BU of 5ufv by Molmil](/molmil-images/mine/5ufv) | |
6I57
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![BU of 6i57 by Molmil](/molmil-images/mine/6i57) | |
4EVY
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![BU of 4evy by Molmil](/molmil-images/mine/4evy) | Crystal structure of aminoglycoside antibiotic 6'-N-acetyltransferase AAC(6')-Ig from Acinetobacter haemolyticus in complex with tobramycin | Descriptor: | Aminoglycoside N(6')-acetyltransferase type 1, CHLORIDE ION, POTASSIUM ION, ... | Authors: | Stogios, P.J, Evdokimova, E, Minasov, G, Yim, V, Courvalin, P, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2012-04-26 | Release date: | 2012-05-09 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.768 Å) | Cite: | Structural and Biochemical Characterization of Acinetobacter spp. Aminoglycoside Acetyltransferases Highlights Functional and Evolutionary Variation among Antibiotic Resistance Enzymes. ACS Infect Dis., 3, 2017
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5GVC
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![BU of 5gvc by Molmil](/molmil-images/mine/5gvc) | Human Topoisomerase IIIb topo domain | Descriptor: | DNA topoisomerase 3-beta-1, MAGNESIUM ION | Authors: | Goto-Ito, S, Yamagata, A, Sato, Y, Takahashi, T.S, Fukai, S. | Deposit date: | 2016-09-05 | Release date: | 2017-06-14 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.436 Å) | Cite: | Structural basis of the interaction between Topoisomerase III beta and the TDRD3 auxiliary factor Sci Rep, 7, 2017
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3KF5
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![BU of 3kf5 by Molmil](/molmil-images/mine/3kf5) | Structure of invertase from Schwanniomyces occidentalis | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Invertase | Authors: | Sanz-Aparicio, J, Polo, A. | Deposit date: | 2009-10-27 | Release date: | 2010-02-23 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural and kinetic analysis of Schwanniomyces occidentalis invertase reveals a new oligomerization pattern and the role of its supplementary domain in substrate binding J.Biol.Chem., 285, 2010
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4I4I
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![BU of 4i4i by Molmil](/molmil-images/mine/4i4i) | Crystal Structure of Bacillus stearothermophilus Phosphofructokinase mutant T156A bound to PEP | Descriptor: | 6-phosphofructokinase, PHOSPHOENOLPYRUVATE | Authors: | Mosser, R, Reddy, M, Bruning, J.B, Sacchettini, J.C, Reinhart, G.D. | Deposit date: | 2012-11-27 | Release date: | 2013-07-31 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.4948 Å) | Cite: | Redefining the Role of the Quaternary Shift in Bacillus stearothermophilus Phosphofructokinase. Biochemistry, 52, 2013
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6PDB
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![BU of 6pdb by Molmil](/molmil-images/mine/6pdb) | Crystal structure of MYST acetyltransferase domain in complex with inhibitor 80 | Descriptor: | 2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-(pyrimidin-2-yl)benzohydrazide, GLYCEROL, Histone acetyltransferase KAT8, ... | Authors: | Hermans, S.J, Parker, M.W, Thomas, T, Baell, J.B. | Deposit date: | 2019-06-18 | Release date: | 2020-04-01 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.42 Å) | Cite: | Discovery of Acylsulfonohydrazide-Derived Inhibitors of the Lysine Acetyltransferase, KAT6A, as Potent Senescence-Inducing Anti-Cancer Agents. J.Med.Chem., 63, 2020
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6PDD
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![BU of 6pdd by Molmil](/molmil-images/mine/6pdd) | Crystal structure of MYST acetyltransferase domain in complex with inhibitor 41 | Descriptor: | 2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-[(propan-2-yl)oxy]benzohydrazide, GLYCEROL, Histone acetyltransferase KAT8, ... | Authors: | Hermans, S.J, Parker, M.W, Thomas, T, Baell, J.B. | Deposit date: | 2019-06-18 | Release date: | 2020-04-01 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Discovery of Acylsulfonohydrazide-Derived Inhibitors of the Lysine Acetyltransferase, KAT6A, as Potent Senescence-Inducing Anti-Cancer Agents. J.Med.Chem., 63, 2020
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3KDM
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3KF3
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6PMC
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![BU of 6pmc by Molmil](/molmil-images/mine/6pmc) | TRK-A IN COMPLEX WITH LIGAND 1a | Descriptor: | High affinity nerve growth factor receptor, N-(6-{[(5-chloro-2-methoxyphenyl)carbamoyl]amino}-1,3-benzothiazol-2-yl)benzamide | Authors: | Subramanian, G, Brown, D.G. | Deposit date: | 2019-07-01 | Release date: | 2020-02-26 | Last modified: | 2021-02-03 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Synthetic inhibitor leads of human tropomyosin receptor kinase A ( h TrkA). Rsc Med Chem, 11, 2020
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6JG6
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![BU of 6jg6 by Molmil](/molmil-images/mine/6jg6) | Crystal structure of barley exohydrolaseI W286A mutant in complex with methyl 6-thio-beta-gentiobioside | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, BETA-D-GLUCAN GLUCOHYDROLASE ISOENZYME EXO1, GLYCEROL, ... | Authors: | Luang, S, Streltsov, V.A, Hrmova, M. | Deposit date: | 2019-02-13 | Release date: | 2020-08-19 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | The evolutionary advantage of an aromatic clamp in plant family 3 glycoside exo-hydrolases. Nat Commun, 13, 2022
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6YAU
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![BU of 6yau by Molmil](/molmil-images/mine/6yau) | CRYSTAL STRUCTURE OF ASGPR 1 IN COMPLEX WITH GN-A. | Descriptor: | 5-[(2~{R},3~{R},4~{R},5~{R},6~{R})-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-~{N}-[3-(propanoylamino)propyl]pentanamide, Asialoglycoprotein receptor 1, CALCIUM ION | Authors: | Schreuder, H.A, Liesum, A. | Deposit date: | 2020-03-13 | Release date: | 2021-01-13 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.397 Å) | Cite: | Triantennary GalNAc Molecular Imaging Probes for Monitoring Hepatocyte Function in a Rat Model of Nonalcoholic Steatohepatitis. Adv Sci, 7, 2020
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4EY4
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![BU of 4ey4 by Molmil](/molmil-images/mine/4ey4) | Crystal Structure of Recombinant Human Acetylcholinesterase in the Apo state | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Cheung, J, Rudolph, M, Burshteyn, F, Cassidy, M, Gary, E, Love, J, Height, J, Franklin, M. | Deposit date: | 2012-05-01 | Release date: | 2012-10-17 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.156 Å) | Cite: | Structures of human acetylcholinesterase in complex with pharmacologically important ligands. J.Med.Chem., 55, 2012
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6YG9
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![BU of 6yg9 by Molmil](/molmil-images/mine/6yg9) | CRYSTAL STRUCTURE OF HUMAN SERUM ALBUMIN (HSA) IN COMPLEX WITH GN-07. | Descriptor: | 20-[[(2~{S})-5-[2-[2-[2-[2-[2-[2-(diethylamino)-2-oxidanylidene-ethoxy]ethoxy]ethylamino]-2-oxidanylidene-ethoxy]ethoxy]ethylamino]-1-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]amino]-20-oxidanylidene-icosanoic acid, MYRISTIC ACID, Serum albumin | Authors: | Schreuder, H.A, Liesum, A. | Deposit date: | 2020-03-27 | Release date: | 2021-01-13 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Triantennary GalNAc Molecular Imaging Probes for Monitoring Hepatocyte Function in a Rat Model of Nonalcoholic Steatohepatitis. Adv Sci, 7, 2020
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6JGT
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![BU of 6jgt by Molmil](/molmil-images/mine/6jgt) | Crystal structure of barley exohydrolaseI W434Y mutant in complex with methyl 6-thio-beta-gentiobioside. | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, BETA-D-GLUCAN GLUCOHYDROLASE ISOENZYME EXO1, ... | Authors: | Luang, S, Streltsov, V.A, Hrmova, M. | Deposit date: | 2019-02-14 | Release date: | 2020-08-19 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | The evolutionary advantage of an aromatic clamp in plant family 3 glycoside exo-hydrolases. Nat Commun, 13, 2022
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6PZL
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![BU of 6pzl by Molmil](/molmil-images/mine/6pzl) | |
5GVD
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![BU of 5gvd by Molmil](/molmil-images/mine/5gvd) | Human TDRD3 DUF1767-OB domains | Descriptor: | 1,2-ETHANEDIOL, MAGNESIUM ION, PHOSPHATE ION, ... | Authors: | Goto-Ito, S, Yamagata, A, Sato, Y, Takahashi, T.S, Fukai, S. | Deposit date: | 2016-09-05 | Release date: | 2017-06-14 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.623 Å) | Cite: | Structural basis of the interaction between Topoisomerase III beta and the TDRD3 auxiliary factor Sci Rep, 7, 2017
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4EY7
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![BU of 4ey7 by Molmil](/molmil-images/mine/4ey7) | Crystal Structure of Recombinant Human Acetylcholinesterase in Complex with Donepezil | Descriptor: | 1,2-ETHANEDIOL, 1-BENZYL-4-[(5,6-DIMETHOXY-1-INDANON-2-YL)METHYL]PIPERIDINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Cheung, J, Rudolph, M, Burshteyn, F, Cassidy, M, Gary, E, Love, J, Height, J, Franklin, M. | Deposit date: | 2012-05-01 | Release date: | 2012-10-17 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.3509 Å) | Cite: | Structures of human acetylcholinesterase in complex with pharmacologically important ligands. J.Med.Chem., 55, 2012
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3FEC
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![BU of 3fec by Molmil](/molmil-images/mine/3fec) | Crystal structure of human Glutamate Carboxypeptidase III (GCPIII/NAALADase II), pseudo-unliganded | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, ... | Authors: | Barinka, C, Lubkowski, J, Hlouchova, K. | Deposit date: | 2008-11-28 | Release date: | 2009-08-25 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Structural insight into the evolutionary and pharmacologic homology of glutamate carboxypeptidases II and III Febs J., 276, 2009
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4F0Y
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![BU of 4f0y by Molmil](/molmil-images/mine/4f0y) | Crystal structure of aminoglycoside antibiotic 6'-N-acetyltransferase AAC(6')-IG from Acinetobacter haemolyticus, apo | Descriptor: | Aminoglycoside N(6')-acetyltransferase type 1, CHLORIDE ION, GLYCEROL, ... | Authors: | Stogios, P.J, Evdokimova, E, Dong, A, Minasov, G, Yim, V, Courvalin, P, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2012-05-05 | Release date: | 2012-05-16 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.56 Å) | Cite: | Structural and Biochemical Characterization of Acinetobacter spp. Aminoglycoside Acetyltransferases Highlights Functional and Evolutionary Variation among Antibiotic Resistance Enzymes. ACS Infect Dis., 3, 2017
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5UFO
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![BU of 5ufo by Molmil](/molmil-images/mine/5ufo) | Structure of RORgt bound to | Descriptor: | (S)-{4-chloro-2-methoxy-3-[4-(methylsulfonyl)phenyl]quinolin-6-yl}(1-methyl-1H-imidazol-5-yl)[6-(trifluoromethyl)pyridin-3-yl]methanol, Nuclear receptor ROR-gamma | Authors: | Spurlino, J. | Deposit date: | 2017-01-05 | Release date: | 2017-04-05 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.802 Å) | Cite: | Identification and structure activity relationships of quinoline tertiary alcohol modulators of ROR gamma t. Bioorg. Med. Chem. Lett., 27, 2017
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