5NO8
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![BU of 5no8 by Molmil](/molmil-images/mine/5no8) | Polysaccharide Lyase BACCELL_00875 | Descriptor: | BACCELL_00875, GLYCEROL | Authors: | Cartmell, A, Munoz-Munoz, J, Terrapon, N, Basle, A, Henrissat, B, Gilbert, H.J. | Deposit date: | 2017-04-11 | Release date: | 2017-06-28 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | An evolutionarily distinct family of polysaccharide lyases removes rhamnose capping of complex arabinogalactan proteins. J. Biol. Chem., 292, 2017
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5N20
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![BU of 5n20 by Molmil](/molmil-images/mine/5n20) | Crystal structure of the BCL6 BTB domain in complex with pyrazolo-pyrimidine ligand | Descriptor: | B-cell lymphoma 6 protein, ~{N}-[5-[[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-[(3~{R})-3-(dimethylamino)pyrrolidin-1-yl]phenyl]ethanamide | Authors: | Robb, G, Ferguson, A, Hargreaves, D. | Deposit date: | 2017-02-06 | Release date: | 2017-05-17 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | Discovery of Pyrazolo[1,5-a]pyrimidine B-Cell Lymphoma 6 (BCL6) Binders and Optimization to High Affinity Macrocyclic Inhibitors. J. Med. Chem., 60, 2017
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5H89
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![BU of 5h89 by Molmil](/molmil-images/mine/5h89) | Crystal structure of mRojoA mutant - T16V - P63Y - W143G - L163V | Descriptor: | mRojoA fluorescent protein | Authors: | Pandelieva, A.T, Tremblay, V, Sarvan, S, Chica, R.A, Couture, J.-F. | Deposit date: | 2015-12-23 | Release date: | 2016-01-27 | Last modified: | 2016-03-02 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Brighter Red Fluorescent Proteins by Rational Design of Triple-Decker Motif. Acs Chem.Biol., 11, 2016
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5H88
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![BU of 5h88 by Molmil](/molmil-images/mine/5h88) | Crystal structure of mRojoA mutant - T16V -P63F - W143A - L163V | Descriptor: | mRojoA fluorescent protein | Authors: | Pandelieva, A.T, Tremblay, V, Sarvan, S, Chica, R.A, Couture, J.-F. | Deposit date: | 2015-12-23 | Release date: | 2016-01-27 | Last modified: | 2016-03-02 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | Brighter Red Fluorescent Proteins by Rational Design of Triple-Decker Motif. Acs Chem.Biol., 11, 2016
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5HAR
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![BU of 5har by Molmil](/molmil-images/mine/5har) | OXA-163 beta-lactamase - S70G mutant | Descriptor: | ACETATE ION, Beta-lactamase, CHLORIDE ION | Authors: | Stojanoski, V, Adamski, C.J, Hu, L, Mehta, S.C, Sankaran, B, Prasad, B.V.V, Palzkill, T.G. | Deposit date: | 2015-12-30 | Release date: | 2016-09-07 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Removal of the Side Chain at the Active-Site Serine by a Glycine Substitution Increases the Stability of a Wide Range of Serine beta-Lactamases by Relieving Steric Strain. Biochemistry, 55, 2016
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5NPD
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![BU of 5npd by Molmil](/molmil-images/mine/5npd) | Crystal Structure of D412N nucleophile mutant cjAgd31B (alpha-transglucosylase from Glycoside Hydrolase Family 31) in complex with alpha Cyclophellitol Aziridine probe CF021 | Descriptor: | (1~{S},2~{S},3~{S},4~{R},5~{R},6~{S})-5-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3,4-triol, 1,2-ETHANEDIOL, OXALATE ION, ... | Authors: | Wu, L, Davies, G.J. | Deposit date: | 2017-04-16 | Release date: | 2017-08-09 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | 1,6-Cyclophellitol Cyclosulfates: A New Class of Irreversible Glycosidase Inhibitor. ACS Cent Sci, 3, 2017
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4PM5
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![BU of 4pm5 by Molmil](/molmil-images/mine/4pm5) | Crystal structure of CTX-M-14 S70G beta-lactamase in complex with cefotaxime at 1.26 Angstroms resolution | Descriptor: | (6R,7R)-3-(acetyloxymethyl)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-8-oxo-5-thia-1-azabicy clo[4.2.0]oct-2-ene-2-carboxylic acid, Beta-lactamase CTX-M-14, SULFATE ION | Authors: | Adamski, C.J, Cardenas, A.M, Sankaran, B, Palzkill, T. | Deposit date: | 2014-05-20 | Release date: | 2014-12-31 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.261 Å) | Cite: | Molecular Basis for the Catalytic Specificity of the CTX-M Extended-Spectrum beta-Lactamases. Biochemistry, 54, 2015
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7RL3
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![BU of 7rl3 by Molmil](/molmil-images/mine/7rl3) | Structure of Drosophila melanogaster Plk4 PB3 | Descriptor: | Serine/threonine-protein kinase PLK4 | Authors: | Slep, K.C, Slevin, L.K. | Deposit date: | 2021-07-23 | Release date: | 2022-08-03 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Polo-like kinase 4 homodimerization and condensate formation regulate its own protein levels but are not required for centriole assembly. Mol.Biol.Cell, 34, 2023
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5ZGO
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![BU of 5zgo by Molmil](/molmil-images/mine/5zgo) | |
3RMC
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![BU of 3rmc by Molmil](/molmil-images/mine/3rmc) | Crystal Structure of a replicative DNA polymerase bound to DNA containing Thymine Glycol | Descriptor: | DNA (5'-D(*CP*GP*TP*(CTG)P*GP*AP*AP*TP*GP*AP*CP*AP*GP*CP*CP*GP*CP*G)-3'), DNA (5'-D(*GP*CP*GP*GP*CP*TP*GP*TP*CP*AP*TP*TP*CP*A)-3'), DNA polymerase | Authors: | Aller, P, Duclos, S, Wallace, S.S, Doublie, S. | Deposit date: | 2011-04-20 | Release date: | 2011-08-10 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | A crystallographic study of the role of sequence context in thymine glycol bypass by a replicative DNA polymerase serendipitously sheds light on the exonuclease complex. J.Mol.Biol., 412, 2011
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5LRY
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![BU of 5lry by Molmil](/molmil-images/mine/5lry) | E coli [NiFe] Hydrogenase Hyd-1 mutant E28D | Descriptor: | CARBONMONOXIDE-(DICYANO) IRON, CHLORIDE ION, DODECYL-BETA-D-MALTOSIDE, ... | Authors: | Carr, S.B, Phillips, S.E.V, Evans, R.M, Brooke, E.J, Armstrong, F.A. | Deposit date: | 2016-08-22 | Release date: | 2017-09-13 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Mechanistic Exploitation of a Self-Repairing, Blocked Proton Transfer Pathway in an O2-Tolerant [NiFe]-Hydrogenase. J.Am.Chem.Soc., 140, 2018
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6VJ3
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![BU of 6vj3 by Molmil](/molmil-images/mine/6vj3) | Carbonic Anhydrase II in complex with pyrimidine-based inhibitor | Descriptor: | 2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-N-(4-sulfamoylphenyl)acetamide, Carbonic anhydrase 2, GLYCEROL, ... | Authors: | Lomelino, C.L, McKenna, R. | Deposit date: | 2020-01-14 | Release date: | 2020-03-11 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Inclusion of a 5-fluorouracil moiety in nitrogenous bases derivatives as human carbonic anhydrase IX and XII inhibitors produced a targeted action against MDA-MB-231 and T47D breast cancer cells. Eur.J.Med.Chem., 190, 2020
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4RW2
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![BU of 4rw2 by Molmil](/molmil-images/mine/4rw2) | Hen egg-white lysozyme structure from a spent-beam experiment at LCLS: refocused beam | Descriptor: | CHLORIDE ION, Lysozyme C, SODIUM ION | Authors: | Boutet, S, Foucar, L, Barends, T, Doak, R.B, Koglin, J.E, Messerschmidt, M, Nass, K, Schlichting, I, Shoeman, R, Williams, G.J. | Deposit date: | 2014-12-01 | Release date: | 2015-05-20 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Characterization and use of the spent beam for serial operation of LCLS. J.SYNCHROTRON RADIAT., 22, 2015
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5HAI
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![BU of 5hai by Molmil](/molmil-images/mine/5hai) | P99 beta-lactamase mutant - S64G | Descriptor: | Beta-lactamase, PHOSPHATE ION | Authors: | Stojanoski, V, Adamski, C.J, Hu, L, Mehta, S.C, Sankaran, B, Prasad, B.V.V, Palzkill, T.G. | Deposit date: | 2015-12-30 | Release date: | 2016-09-07 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.74 Å) | Cite: | Removal of the Side Chain at the Active-Site Serine by a Glycine Substitution Increases the Stability of a Wide Range of Serine beta-Lactamases by Relieving Steric Strain. Biochemistry, 55, 2016
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5O0S
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![BU of 5o0s by Molmil](/molmil-images/mine/5o0s) | Crystal structure of txGH116 (beta-glucosidase from Thermoanaerobacterium xylolyticum) in complex with unreacted beta Cyclophellitol Cyclosulfate probe ME711 | Descriptor: | (3~{a}~{S},4~{R},5~{S},6~{R},7~{R},7~{a}~{R})-7-(hydroxymethyl)-2,2-bis(oxidanylidene)-3~{a},4,5,6,7,7~{a}-hexahydrobenzo[d][1,3,2]dioxathiole-4,5,6-triol, 1,2-ETHANEDIOL, CALCIUM ION, ... | Authors: | Wu, L, Offen, W.A, Breen, I.Z, Davies, G.J. | Deposit date: | 2017-05-16 | Release date: | 2017-08-09 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.16 Å) | Cite: | 1,6-Cyclophellitol Cyclosulfates: A New Class of Irreversible Glycosidase Inhibitor. ACS Cent Sci, 3, 2017
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3RMB
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![BU of 3rmb by Molmil](/molmil-images/mine/3rmb) | Crystal Structure of a replicative DNA polymerase bound to DNA containing Thymine Glycol | Descriptor: | DNA (5'-D(*CP*GP*CP*(CTG)P*GP*AP*AP*TP*GP*AP*CP*AP*GP*CP*CP*GP*CP*G)-3'), DNA (5'-D(*GP*CP*GP*GP*CP*TP*GP*TP*CP*AP*TP*TP*CP*A)-3'), DNA polymerase, ... | Authors: | Aller, P, Duclos, S, Wallace, S.S, Doublie, S. | Deposit date: | 2011-04-20 | Release date: | 2011-08-10 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | A crystallographic study of the role of sequence context in thymine glycol bypass by a replicative DNA polymerase serendipitously sheds light on the exonuclease complex. J.Mol.Biol., 412, 2011
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4PM7
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![BU of 4pm7 by Molmil](/molmil-images/mine/4pm7) | Crystal structure of CTX-M-14 S70G:S237A in complex with cefotaxime at 1.29 Angstroms resolution | Descriptor: | (6R,7R)-3-(acetyloxymethyl)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-8-oxo-5-thia-1-azabicy clo[4.2.0]oct-2-ene-2-carboxylic acid, Beta-lactamase CTX-M-14 | Authors: | Adamski, C.J, Cardenas, A.M, Sankaran, B, Palzkill, T. | Deposit date: | 2014-05-20 | Release date: | 2014-12-31 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.29 Å) | Cite: | Molecular Basis for the Catalytic Specificity of the CTX-M Extended-Spectrum beta-Lactamases. Biochemistry, 54, 2015
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5O8H
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![BU of 5o8h by Molmil](/molmil-images/mine/5o8h) | Crystal structure of R. ruber ADH-A, mutant Y294F, W295A, F43H, H39Y | Descriptor: | Alcohol dehydrogenase, GLYCEROL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | Authors: | Dobritzsch, D, Maurer, D, Hamnevik, E, Reddy Enugala, T, Widersten, M. | Deposit date: | 2017-06-13 | Release date: | 2017-10-11 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Relaxation of nonproductive binding and increased rate of coenzyme release in an alcohol dehydrogenase increases turnover with a nonpreferred alcohol enantiomer. FEBS J., 284, 2017
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5WOE
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![BU of 5woe by Molmil](/molmil-images/mine/5woe) | |
4PM9
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![BU of 4pm9 by Molmil](/molmil-images/mine/4pm9) | Crystal structure of CTX-M-14 S70G:S237A:R276A beta-lactamase in complex with cefotaxime at 1.45 Angstroms resolution | Descriptor: | (6R,7R)-3-(acetyloxymethyl)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-8-oxo-5-thia-1-azabicy clo[4.2.0]oct-2-ene-2-carboxylic acid, Beta-lactamase CTX-M-14 | Authors: | Cardenas, A.M, Adamski, C.J, Sankaran, B, Brown, N.G, Horton, L.B, Palzkill, T. | Deposit date: | 2014-05-20 | Release date: | 2014-12-31 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.454 Å) | Cite: | Molecular Basis for the Catalytic Specificity of the CTX-M Extended-Spectrum beta-Lactamases. Biochemistry, 54, 2015
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5H87
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![BU of 5h87 by Molmil](/molmil-images/mine/5h87) | Crystal structure of mRojoA mutant - P63H - W143S | Descriptor: | mRojoA fluorescent protein | Authors: | Pandelieva, A.T, Tremblay, V, Sarvan, S, Chica, R.A, Couture, J.-F. | Deposit date: | 2015-12-23 | Release date: | 2016-01-27 | Last modified: | 2016-03-02 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | Brighter Red Fluorescent Proteins by Rational Design of Triple-Decker Motif. Acs Chem.Biol., 11, 2016
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4PM6
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![BU of 4pm6 by Molmil](/molmil-images/mine/4pm6) | Crystal structure of CTX-M-14 S70G beta-lactamase at 1.56 Angstroms resolution | Descriptor: | Beta-lactamase CTX-M-14, SULFATE ION | Authors: | Adamski, C.J, Cardenas, A.M, Sankaran, B, Palzkill, T. | Deposit date: | 2014-05-20 | Release date: | 2014-12-31 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Molecular Basis for the Catalytic Specificity of the CTX-M Extended-Spectrum beta-Lactamases. Biochemistry, 54, 2015
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5O8Q
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![BU of 5o8q by Molmil](/molmil-images/mine/5o8q) | Crystal structure of R. ruber ADH-A, mutant Y294F, W295A | Descriptor: | Alcohol dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ZINC ION | Authors: | Dobritzsch, D, Maurer, D, Hamnevik, E, Enugala, T.R, Widersten, M. | Deposit date: | 2017-06-14 | Release date: | 2017-10-11 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Relaxation of nonproductive binding and increased rate of coenzyme release in an alcohol dehydrogenase increases turnover with a nonpreferred alcohol enantiomer. FEBS J., 284, 2017
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6X0Q
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![BU of 6x0q by Molmil](/molmil-images/mine/6x0q) | |
4QKR
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![BU of 4qkr by Molmil](/molmil-images/mine/4qkr) | |