5NO7
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![BU of 5no7 by Molmil](/molmil-images/mine/5no7) | Crystal Structure of a Xylan-active Lytic Polysaccharide Monooxygenase from Pycnoporus coccineus. | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Lytic polysaccharide monooxygenase, SULFATE ION, ... | Authors: | Ladeveze, S, Couturier, M, Sulzenbacher, G, Berrin, J.-G. | Deposit date: | 2017-04-11 | Release date: | 2018-01-17 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3.01 Å) | Cite: | Lytic xylan oxidases from wood-decay fungi unlock biomass degradation. Nat. Chem. Biol., 14, 2018
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6DKV
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5D2T
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3D75
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![BU of 3d75 by Molmil](/molmil-images/mine/3d75) | Crystal structure of a pheromone binding protein mutant D35N, from Apis mellifera, at pH 5.5 | Descriptor: | N-BUTYL-BENZENESULFONAMIDE, Pheromone-binding protein ASP1 | Authors: | Pesenti, M.E, Spinelli, S, Bezirard, V, Briand, L, Pernollet, J.C, Tegoni, M, Cambillau, C. | Deposit date: | 2008-05-20 | Release date: | 2009-05-26 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Queen bee pheromone binding protein pH-induced domain swapping favors pheromone release J.Mol.Biol., 390, 2009
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2YE5
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8SY8
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![BU of 8sy8 by Molmil](/molmil-images/mine/8sy8) | Crystal structure of TsaC | Descriptor: | 4-formylbenzenesulfonate dehydrogenase TsaC | Authors: | Boggs, D.G, Tian, J, Bridwell-Rabb, J. | Deposit date: | 2023-05-24 | Release date: | 2023-09-20 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | The NADH recycling enzymes TsaC and TsaD regenerate reducing equivalents for Rieske oxygenase chemistry. J.Biol.Chem., 299, 2023
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5D2W
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4WHS
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![BU of 4whs by Molmil](/molmil-images/mine/4whs) | 4-fluorocatechol bound to Protocatechuate 3,4-dioxygenase (pseudomonas putida) at pH 8.5 | Descriptor: | 4-fluorobenzene-1,2-diol, BETA-MERCAPTOETHANOL, CHLORIDE ION, ... | Authors: | Knoot, C.J, Purpero, V.M, Lipscomb, J.D. | Deposit date: | 2014-09-23 | Release date: | 2014-12-31 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Crystal structures of alkylperoxo and anhydride intermediates in an intradiol ring-cleaving dioxygenase. Proc.Natl.Acad.Sci.USA, 112, 2015
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8OQT
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8OQS
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8OQV
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8OQR
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8OQU
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4Q03
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![BU of 4q03 by Molmil](/molmil-images/mine/4q03) | Second-site screening of K-Ras in the presence of covalently attached first-site ligands | Descriptor: | 4-bromobenzenethiol, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Sun, Q, Phan, J, Friberg, A, Camper, D.V, Olejniczak, E.T, Fesik, S.W. | Deposit date: | 2014-03-31 | Release date: | 2014-09-10 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.201 Å) | Cite: | A method for the second-site screening of K-Ras in the presence of a covalently attached first-site ligand. J.Biomol.Nmr, 60, 2014
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1BH9
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![BU of 1bh9 by Molmil](/molmil-images/mine/1bh9) | HTAFII18/HTAFII28 HETERODIMER CRYSTAL STRUCTURE WITH BOUND PCMBS | Descriptor: | PARA-MERCURY-BENZENESULFONIC ACID, TAFII18, TAFII28 | Authors: | Birck, C, Poch, O, Romier, C, Ruff, M, Mengus, G, Lavigne, A.-C, Davidson, I, Moras, D. | Deposit date: | 1998-06-16 | Release date: | 1999-06-22 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Human TAF(II)28 and TAF(II)18 interact through a histone fold encoded by atypical evolutionary conserved motifs also found in the SPT3 family. Cell(Cambridge,Mass.), 94, 1998
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7BRV
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![BU of 7brv by Molmil](/molmil-images/mine/7brv) | Bovine Pancreatic Trypsin with 4-Bromobenzamidine (Room Temperature) | Descriptor: | 4-bromanylbenzenecarboximidamide, CALCIUM ION, Cationic trypsin, ... | Authors: | Takeda, R, Ito, S, Maeki, M, Funakubo, T, Ueno, G, Ishida, A, Tani, H, Yamamoto, M, Tokeshi, M. | Deposit date: | 2020-03-30 | Release date: | 2020-08-26 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Room-temperature crystallography using a microfluidic protein crystal array device and its application to protein-ligand complex structure analysis. Chem Sci, 11, 2020
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7BS3
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![BU of 7bs3 by Molmil](/molmil-images/mine/7bs3) | Bovine Pancreatic Trypsin with 4-Bromo-benzamidine (Cryo) | Descriptor: | 4-bromanylbenzenecarboximidamide, CALCIUM ION, Cationic trypsin, ... | Authors: | Maeki, M, Ito, S, Takeda, R, Funakubo, T, Ueno, G, Ishida, A, Tani, H, Yamamoto, M, Tokeshi, M. | Deposit date: | 2020-03-30 | Release date: | 2020-08-26 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.28 Å) | Cite: | Room-temperature crystallography using a microfluidic protein crystal array device and its application to protein-ligand complex structure analysis. Chem Sci, 11, 2020
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6CT3
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![BU of 6ct3 by Molmil](/molmil-images/mine/6ct3) | Directed evolutionary changes in Kemp Eliminase KE07 - Crystal 27 round 7-2 | Descriptor: | 5-nitro-2-oxidanyl-benzenecarbonitrile, GLYCEROL, Kemp eliminase, ... | Authors: | Jackson, C.J, Hong, N.-S, Carr, P.D. | Deposit date: | 2018-03-22 | Release date: | 2018-08-01 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The evolution of multiple active site configurations in a designed enzyme. Nat Commun, 9, 2018
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4MRE
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4MRH
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4K7O
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![BU of 4k7o by Molmil](/molmil-images/mine/4k7o) | HUMAN PEROXIREDOXIN 5 with a fragment | Descriptor: | 4-tert-butylbenzene-1,2-diol, DIMETHYL SULFOXIDE, Peroxiredoxin-5, ... | Authors: | Guichou, J.F. | Deposit date: | 2013-04-17 | Release date: | 2014-04-23 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Comparing Binding Modes of Analogous Fragments Using NMR in Fragment-Based Drug Design: Application to PRDX5 Plos One, 9, 2014
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1EOJ
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![BU of 1eoj by Molmil](/molmil-images/mine/1eoj) | Design of P1' and P3' residues of trivalent thrombin inhibitors and their crystal structures | Descriptor: | ALPHA THROMBIN, THROMBIN INHIBITOR P798 | Authors: | Slon-Usakiewicz, J.J, Sivaraman, J, Li, Y, Cygler, M, Konishi, Y. | Deposit date: | 2000-03-23 | Release date: | 2000-05-03 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Design of P1' and P3' residues of trivalent thrombin inhibitors and their crystal structures. Biochemistry, 39, 2000
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1EOL
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![BU of 1eol by Molmil](/molmil-images/mine/1eol) | Design of P1' and P3' residues of trivalent thrombin inhibitors and their crystal structures | Descriptor: | ALPHA THROMBIN, THROMBIN INHIBITOR P628 | Authors: | Slon-Usakiewicz, J.J, Sivaraman, J, Li, Y, Cygler, M, Konishi, Y. | Deposit date: | 2000-03-23 | Release date: | 2000-05-03 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Design of P1' and P3' residues of trivalent thrombin inhibitors and their crystal structures. Biochemistry, 39, 2000
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7Y9L
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![BU of 7y9l by Molmil](/molmil-images/mine/7y9l) | Crystal structure of P450 BM3-2F from Bacillus megaterium in complex with 2-Hydroxy-5-Nitrobenzonitrile | Descriptor: | 5-nitro-2-oxidanyl-benzenecarbonitrile, Bifunctional cytochrome P450/NADPH--P450 reductase, NICKEL (II) ION, ... | Authors: | Wang, Q, Zhang, L.L, Liu, W.D, Huang, J.-W, Yang, Y, Chen, C.-C, Guo, R.-T. | Deposit date: | 2022-06-25 | Release date: | 2023-07-12 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Crystal structure of P450 BM3-2F from Bacillus megaterium in complex with 2-Hydroxy-5-Nitrobenzonitrile to be published
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5RF1
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![BU of 5rf1 by Molmil](/molmil-images/mine/5rf1) | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with NCL-00023830 | Descriptor: | 3C-like proteinase, 4-bromobenzene-1-sulfonamide, DIMETHYL SULFOXIDE | Authors: | Fearon, D, Owen, C.D, Douangamath, A, Lukacik, P, Powell, A.J, Strain-Damerell, C.M, Resnick, E, Krojer, T, Gehrtz, P, Wild, C, Aimon, A, Brandao-Neto, J, Carbery, A, Dunnett, L, Skyner, R, Snee, M, London, N, Walsh, M.A, von Delft, F. | Deposit date: | 2020-03-15 | Release date: | 2020-03-25 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease. Nat Commun, 11, 2020
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