8H5A
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3MSN
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![BU of 3msn by Molmil](/molmil-images/mine/3msn) | Crystal structure of Thermolysin in complex with N-methylurea | Descriptor: | CALCIUM ION, GLYCEROL, N-METHYLUREA, ... | Authors: | Behnen, J, Heine, A, Klebe, G. | Deposit date: | 2010-04-29 | Release date: | 2011-05-11 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Experimental and computational active site mapping as a starting point to fragment-based lead discovery. Chemmedchem, 7, 2012
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6YKT
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![BU of 6ykt by Molmil](/molmil-images/mine/6ykt) | Neisseria gonorrhoeae Leucyl-tRNA Synthetase in Complex with Compound 11e | Descriptor: | 1,2-ETHANEDIOL, Leucine--tRNA ligase, MAGNESIUM ION, ... | Authors: | Pang, L, Strelkov, S.V, Weeks, S.D. | Deposit date: | 2020-04-06 | Release date: | 2020-12-02 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | Synthesis and structure-activity studies of novel anhydrohexitol-based Leucyl-tRNA synthetase inhibitors. Eur.J.Med.Chem., 211, 2021
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4V72
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![BU of 4v72 by Molmil](/molmil-images/mine/4v72) | E. coli 70S-fMetVal-tRNAVal-tRNAfMet complex in hybrid pre-translocation state (pre4) | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | Authors: | Blau, C, Bock, L.V, Schroder, G.F, Davydov, I, Fischer, N, Stark, H, Rodnina, M.V, Vaiana, A.C, Grubmuller, H. | Deposit date: | 2013-10-14 | Release date: | 2014-07-09 | Last modified: | 2019-12-18 | Method: | ELECTRON MICROSCOPY (13 Å) | Cite: | Energy barriers and driving forces in tRNA translocation through the ribosome. Nat.Struct.Mol.Biol., 20, 2013
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6YKL
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![BU of 6ykl by Molmil](/molmil-images/mine/6ykl) | Neisseria gonorrhoeae Leucyl-tRNA Synthetase in Complex with Compound 11k | Descriptor: | 1,2-ETHANEDIOL, Leucine--tRNA ligase, MAGNESIUM ION, ... | Authors: | Pang, L, Strelkov, S.V, Weeks, S.D. | Deposit date: | 2020-04-06 | Release date: | 2020-12-02 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Synthesis and structure-activity studies of novel anhydrohexitol-based Leucyl-tRNA synthetase inhibitors. Eur.J.Med.Chem., 211, 2021
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6YKU
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![BU of 6yku by Molmil](/molmil-images/mine/6yku) | Neisseria gonorrhoeae Leucyl-tRNA Synthetase in Complex with Compound 11f | Descriptor: | 1,2-ETHANEDIOL, Leucine--tRNA ligase, MAGNESIUM ION, ... | Authors: | Pang, L, Strelkov, S.V, Weeks, S.D. | Deposit date: | 2020-04-06 | Release date: | 2020-12-02 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Synthesis and structure-activity studies of novel anhydrohexitol-based Leucyl-tRNA synthetase inhibitors. Eur.J.Med.Chem., 211, 2021
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3C79
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![BU of 3c79 by Molmil](/molmil-images/mine/3c79) | Crystal structure of Aplysia californica AChBP in complex with the neonicotinoid imidacloprid | Descriptor: | (2E)-1-[(6-chloropyridin-3-yl)methyl]-N-nitroimidazolidin-2-imine, ISOPROPYL ALCOHOL, Soluble acetylcholine receptor | Authors: | Talley, T.T, Harel, M, Hibbs, R.E, Tomizawa, M, Casida, J.E, Taylor, P.W. | Deposit date: | 2008-02-06 | Release date: | 2008-05-20 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Atomic interactions of neonicotinoid agonists with AChBP: molecular recognition of the distinctive electronegative pharmacophore. Proc.Natl.Acad.Sci.Usa, 105, 2008
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1H3X
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![BU of 1h3x by Molmil](/molmil-images/mine/1h3x) | CRYSTAL STRUCTURE OF THE HUMAN IGG1 FC-FRAGMENT,GLYCOFORM (G0F)2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, IG GAMMA-1 CHAIN C REGION | Authors: | Krapp, S, Mimura, Y, Jefferis, R, Huber, R, Sondermann, P. | Deposit date: | 2002-09-19 | Release date: | 2003-11-20 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | Structural Analysis of Human Igg-Fc Glycoforms Reveals a Correlation between Glycosylation and Structural Integrity J.Mol.Biol., 325, 2003
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3ISE
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![BU of 3ise by Molmil](/molmil-images/mine/3ise) | Structure of mineralized Bfrb (double soak) from Pseudomonas aeruginosa to 2.8A Resolution | Descriptor: | Bacterioferritin, FE (III) ION, POTASSIUM ION, ... | Authors: | Lovell, S, Weeratunga, S.K, Battaile, K.P, Rivera, M. | Deposit date: | 2009-08-25 | Release date: | 2010-02-02 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural Studies of Bacterioferritin B from Pseudomonas aeruginosa Suggest a Gating Mechanism for Iron Uptake via the Ferroxidase Center Biochemistry, 49, 2010
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2XHH
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![BU of 2xhh by Molmil](/molmil-images/mine/2xhh) | Circular permutation provides an evolutionary link between two families of calcium-dependent carbohydrate binding modules | Descriptor: | (2S)-2-hydroxybutanedioic acid, CALCIUM ION, CARBOHYDRATE BINDING MODULE | Authors: | Montanier, C, Flint, J.E, Bolam, D.N, Xie, H, Liu, Z, Rogowski, A, Weiner, D, Ratnaparkhe, S, Nurizzo, D, Roberts, S.M, Turkenburg, J.P, Davies, G.J, Gilbert, H.J. | Deposit date: | 2010-06-16 | Release date: | 2010-07-21 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Circular Permutation Provides an Evolutionary Link between Two Families of Calcium-Dependent Carbohydrate Binding Modules J.Biol.Chem., 285, 2010
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6WRK
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![BU of 6wrk by Molmil](/molmil-images/mine/6wrk) | Crystal structure of 3rd-generation Mj 3-nitro-tyrosine tRNA synthetase ("A7") bound to 3-nitro-tyrosine | Descriptor: | GLYCEROL, META-NITRO-TYROSINE, SODIUM ION, ... | Authors: | Beyer, J.N, Hosseinzadeh, P, Karplus, P.A, Mehl, R.A, Cooley, R.B. | Deposit date: | 2020-04-29 | Release date: | 2020-07-01 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Overcoming Near-Cognate Suppression in a Release Factor 1-Deficient Host with an Improved Nitro-Tyrosine tRNA Synthetase. J.Mol.Biol., 432, 2020
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6CZJ
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6CEF
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![BU of 6cef by Molmil](/molmil-images/mine/6cef) | Crystal structure of fragment 3-(1,3-Benzothiazol-2-yl)propanoic acid bound in the ubiquitin binding pocket of the HDAC6 zinc-finger domain | Descriptor: | 3-(1,3-benzothiazol-2-yl)propanoic acid, Histone deacetylase 6, UNKNOWN ATOM OR ION, ... | Authors: | Harding, R.J, Halabelian, L, Ferreira de Freitas, R, Ravichandran, M, Santhakumar, V, Schapira, M, Bountra, C, Edwards, A.M, Arrowsmith, C.M, Structural Genomics Consortium (SGC) | Deposit date: | 2018-02-11 | Release date: | 2018-02-28 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Identification and Structure-Activity Relationship of HDAC6 Zinc-Finger Ubiquitin Binding Domain Inhibitors. J. Med. Chem., 61, 2018
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6G8H
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![BU of 6g8h by Molmil](/molmil-images/mine/6g8h) | Flavonoid-responsive Regulator FrrA in complex with (R,S)-Naringenin | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, NARINGENIN, R-naringenin, ... | Authors: | Werner, N, Hoppen, J, Palm, G, Werten, S, Goettfert, M, Hinrichs, W. | Deposit date: | 2018-04-08 | Release date: | 2019-04-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | The induction mechanism of the flavonoid-responsive regulator FrrA. Febs J., 2021
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6WRT
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![BU of 6wrt by Molmil](/molmil-images/mine/6wrt) | Crystal structure of Mj 3-nitro-tyrosine tRNA synthetase (5B) C70A/S158C variant bound to 3-nitro-tyrosine | Descriptor: | META-NITRO-TYROSINE, SODIUM ION, Tyrosine--tRNA ligase | Authors: | Beyer, J.N, Hosseinzadeh, P, Karplus, P.A, Mehl, R.A, Cooley, R.B. | Deposit date: | 2020-04-30 | Release date: | 2020-07-01 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Overcoming Near-Cognate Suppression in a Release Factor 1-Deficient Host with an Improved Nitro-Tyrosine tRNA Synthetase. J.Mol.Biol., 432, 2020
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7A0P
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![BU of 7a0p by Molmil](/molmil-images/mine/7a0p) | Neisseria gonorrhoeae Leucyl-tRNA Synthetase in Complex with Compound 11i | Descriptor: | 1,2-ETHANEDIOL, Leucine--tRNA ligase, MAGNESIUM ION, ... | Authors: | Pang, L, Strelkov, S.V, Weeks, S.D. | Deposit date: | 2020-08-10 | Release date: | 2020-12-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Synthesis and structure-activity studies of novel anhydrohexitol-based Leucyl-tRNA synthetase inhibitors. Eur.J.Med.Chem., 211, 2021
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2VNG
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![BU of 2vng by Molmil](/molmil-images/mine/2vng) | Family 51 carbohydrate binding module from a family 98 glycoside hydrolase produced by Clostridium perfringens in complex with blood group A-trisaccharide ligand. | Descriptor: | CALCIUM ION, CPE0329, alpha-L-fucopyranose-(1-2)-[2-acetamido-2-deoxy-alpha-D-galactopyranose-(1-3)]beta-D-galactopyranose | Authors: | Gregg, K.J, Finn, R, Abbott, D.W, Boraston, A.B. | Deposit date: | 2008-02-04 | Release date: | 2008-02-19 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Divergent Modes of Glycan Recognition by a New Family of Carbohydrate-Binding Modules J.Biol.Chem., 283, 2008
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5CYV
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![BU of 5cyv by Molmil](/molmil-images/mine/5cyv) | Crystal structure of CouR from Rhodococcus jostii RHA1 bound to p-coumaroyl-CoA | Descriptor: | ACETATE ION, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Stogios, P.J, Xu, X, Dong, A, Savchenko, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2015-07-30 | Release date: | 2015-08-12 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | The activity of CouR, a MarR family transcriptional regulator, is modulated through a novel molecular mechanism. Nucleic Acids Res., 44, 2016
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8IJN
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![BU of 8ijn by Molmil](/molmil-images/mine/8ijn) | Bovine Heart Cytochrome c Oxidase in the Nitric Oxide-Bound Fully Reduced State at 100 K | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ... | Authors: | Tsukihara, T, Shimada, A, Muramoto, K. | Deposit date: | 2023-02-27 | Release date: | 2023-04-12 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Bovine cytochrome c oxidase structures enable O2 reduction with minimization of reactive oxygens and provide a proton-pumping gate. Proc.Natl.Acad.Sci.USA, 107, 2010
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4I7E
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![BU of 4i7e by Molmil](/molmil-images/mine/4i7e) | Crystal Structure of the Bacillus stearothermophilus Phosphofructokinase Mutant D12A in Complex with PEP | Descriptor: | 6-phosphofructokinase, PHOSPHOENOLPYRUVATE | Authors: | Mosser, R, Reddy, M, Bruning, J.B, Sacchettini, J.C, Reinhart, G.D. | Deposit date: | 2012-11-30 | Release date: | 2013-07-31 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Redefining the Role of the Quaternary Shift in Bacillus stearothermophilus Phosphofructokinase. Biochemistry, 52, 2013
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7KRJ
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![BU of 7krj by Molmil](/molmil-images/mine/7krj) | The GR-Maturation Complex: Glucocorticoid Receptor in complex with Hsp90 and co-chaperone p23 | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, DEXAMETHASONE, Glucocorticoid receptor, ... | Authors: | Noddings, C.M, Wang, Y.-R, Agard, D.A. | Deposit date: | 2020-11-20 | Release date: | 2022-01-12 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (2.56 Å) | Cite: | Structure of Hsp90-p23-GR reveals the Hsp90 client-remodelling mechanism. Nature, 601, 2021
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1H3T
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![BU of 1h3t by Molmil](/molmil-images/mine/1h3t) | Crystal structure of the human igg1 fc-fragment,glycoform (mn2f)2 | Descriptor: | IG GAMMA-1 CHAIN C REGION, beta-D-mannopyranose, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Krapp, S, Mimura, Y, Jefferis, R, Huber, R, Sondermann, P. | Deposit date: | 2002-09-19 | Release date: | 2003-01-23 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural Analysis of Human Igg-Fc Glycoforms Reveals a Correlation between Glycosylation and Structural Integrity J.Mol.Biol., 325, 2003
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1KWQ
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![BU of 1kwq by Molmil](/molmil-images/mine/1kwq) | HUMAN CARBONIC ANHYDRASE II COMPLEXED WITH INHIBITOR 2000-07 | Descriptor: | 3-NITRO-4-(2-OXO-PYRROLIDIN-1-YL)-BENZENESULFONAMIDE, Carbonic anhydrase II, MERCURY (II) ION, ... | Authors: | Grueneberg, S, Stubbs, M.T. | Deposit date: | 2002-01-30 | Release date: | 2003-01-07 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Successful virtual screening for novel inhibitors of human carbonic anhydrase: strategy and experimental confirmation. J.Med.Chem., 45, 2002
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1KWR
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![BU of 1kwr by Molmil](/molmil-images/mine/1kwr) | HUMAN CARBONIC ANHYDRASE II COMPLEXED WITH INHIBITOR 0134-36 | Descriptor: | 1-METHYL-3-OXO-1,3-DIHYDRO-BENZO[C]ISOTHIAZOLE-5-SULFONIC ACID AMIDE, Carbonic anhydrase II, ZINC ION | Authors: | Grueneberg, S, Stubbs, M.T. | Deposit date: | 2002-01-30 | Release date: | 2003-01-07 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Successful virtual screening for novel inhibitors of human carbonic anhydrase: strategy and experimental confirmation. J.Med.Chem., 45, 2002
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1H3U
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![BU of 1h3u by Molmil](/molmil-images/mine/1h3u) | CRYSTAL STRUCTURE OF THE HUMAN IGG1 FC-FRAGMENT,GLYCOFORM (M3N2F)2 | Descriptor: | IG GAMMA-1 CHAIN C REGION, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, beta-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Krapp, S, Mimura, Y, Jefferis, R, Huber, R, Sondermann, P. | Deposit date: | 2002-09-19 | Release date: | 2003-01-23 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural Analysis of Human Igg-Fc Glycoforms Reveals a Correlation between Glycosylation and Structural Integrity. J.Mol.Biol., 325, 2003
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