3ZYX
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![BU of 3zyx by Molmil](/molmil-images/mine/3zyx) | Crystal structure of human monoamine oxidase B in complex with methylene blue and bearing the double mutation I199A-Y326A | Descriptor: | 3,7-BIS(DIMETHYLAMINO)PHENOTHIAZIN-5-IUM, AMINE OXIDASE [FLAVIN-CONTAINING] B, FLAVIN-ADENINE DINUCLEOTIDE | Authors: | Milczek, E.M, Binda, C, Rovida, S, Mattevi, A, Edmondson, D.E. | Deposit date: | 2011-08-29 | Release date: | 2011-12-14 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The 'Gating' Residues Ile199 and Tyr326 in Human Monoamine Oxidase B Function in Substrate and Inhibitor Recognition. FEBS J., 278, 2011
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5E7N
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![BU of 5e7n by Molmil](/molmil-images/mine/5e7n) | Crystal Structure of RPA70N in complex with VU0085636 | Descriptor: | 2-({3-[(4-bromophenyl)sulfamoyl]-4-methylbenzoyl}amino)benzoic acid, Replication protein A 70 kDa DNA-binding subunit | Authors: | Gilston, B.A, Patrone, J.D, Pelz, N.F, Bates, B.S, Souza-Fagundes, E.M, Vangamudi, B, Camper, D, Kuznetsov, A, Browning, C.F, Feldkamp, M.D, Olejniczak, E.T, Rossanese, O.W, Waterson, A.G, Fesik, S.W, Chazin, W.J. | Deposit date: | 2015-10-12 | Release date: | 2016-01-27 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.21 Å) | Cite: | Identification and Optimization of Anthranilic Acid Based Inhibitors of Replication Protein A. Chemmedchem, 11, 2016
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3ZJV
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![BU of 3zjv by Molmil](/molmil-images/mine/3zjv) | Ternary complex of E .coli leucyl-tRNA synthetase, tRNA(Leu) and the benzoxaborole AN3213 in the editing conformation | Descriptor: | LEUCINE--TRNA LIGASE, TRNALEU5 UAA ISOACCEPTOR | Authors: | Cusack, S, Palencia, A, Crepin, T, Hernandez, V, Akama, T, Baker, S.J, Bu, W, Feng, L, Freund, Y.R, Liu, L, Meewan, M, Mohan, M, Mao, W, Rock, F.L, Sexton, H, Sheoran, A, Zhang, Y, Zhang, Y, Zhou, Y, Nieman, J.A, Anugula, M.R, Keramane, E.M, Savariraj, K, Reddy, D.S, Sharma, R, Subedi, R, Singh, R, OLeary, A, Simon, N.L, DeMarsh, P.L, Mushtaq, S, Warner, M, Livermore, D.M, Alley, M.R.K, Plattner, J.J. | Deposit date: | 2013-01-18 | Release date: | 2013-04-17 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Discovery of a Novel Class of Boron-Based Antibacterials with Activity Against Gram-Negative Bacteria. Antimicrob.Agents Chemother., 57, 2013
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3ZSS
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![BU of 3zss by Molmil](/molmil-images/mine/3zss) | Apo form of GlgE isoform 1 from Streptomyces coelicolor | Descriptor: | PUTATIVE GLUCANOHYDROLASE PEP1A | Authors: | Syson, K, Stevenson, C.E.M, Rejzek, M, Fairhurst, S.A, Nair, A, Bruton, C.J, Field, R.A, Chater, K.F, Lawson, D.M, Bornemann, S. | Deposit date: | 2011-06-30 | Release date: | 2011-09-14 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure of a Streptomyces Maltosyltransferase Glge: A Homologue of a Genetically Validated Anti-Tuberculosis Target. J.Biol.Chem., 286, 2011
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3ZPL
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![BU of 3zpl by Molmil](/molmil-images/mine/3zpl) | Crystal structure of Sco3205, a MarR family transcriptional regulator from Streptomyces coelicolor, in complex with DNA | Descriptor: | 5'-D(*AP*AP*AP*GP*AP*TP*TP*GP*AP*GP*AP*TP*CP*TP *CP*AP*AP*TP*CP*TP*TP*DT)-3', PHOSPHATE ION, PUTATIVE MARR-FAMILY TRANSCRIPTIONAL REPRESSOR | Authors: | Stevenson, C.E.M, Assaad, A, Lawson, D.M. | Deposit date: | 2013-02-28 | Release date: | 2013-07-17 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Investigation of DNA Sequence Recognition by a Streptomycete Marr Family Transcriptional Regulator Through Surface Plasmon Resonance and X-Ray Crystallography. Nucleic Acids Res., 41, 2013
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3ZMD
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![BU of 3zmd by Molmil](/molmil-images/mine/3zmd) | Crystal structure of AbsC, a MarR family transcriptional regulator from Streptomyces coelicolor | Descriptor: | 1,2-ETHANEDIOL, 2-HYDROXYBENZOIC ACID, CHLORIDE ION, ... | Authors: | Stevenson, C.E.M, Kock, H, Mootien, S, Davies, S.C, Bibb, M.J, Lawson, D.M. | Deposit date: | 2013-02-07 | Release date: | 2013-02-20 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Crystal Structure of Absc, a Marr Family Transcriptional Regulator from Streptomyces Coelicolor To be Published
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4BQF
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![BU of 4bqf by Molmil](/molmil-images/mine/4bqf) | Arabidopsis thaliana cytosolic alpha-1,4-glucan phosphorylase (PHS2) in complex with acarbose | Descriptor: | 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranose, ALPHA-GLUCAN PHOSPHORYLASE 2, CYTOSOLIC, ... | Authors: | O'Neill, E.C, Rashid, A.M, Stevenson, C.E.M, Hetru, A.C, Gunning, A.P, Rejzek, M, Nepogodiev, S.A, Bornemann, S, Lawson, D.M, Field, R.A. | Deposit date: | 2013-05-30 | Release date: | 2014-02-19 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Sugar-Coated Sensor Chip and Nanoparticle Surfaces for the in Vitro Enzymatic Synthesis of Starch-Like Materials Chem.Sci., 5, 2014
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4BQI
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![BU of 4bqi by Molmil](/molmil-images/mine/4bqi) | ARABIDOPSIS THALIANA cytosolic alpha-1,4-glucan phosphorylase (PHS2) in complex with maltotriose | Descriptor: | ALPHA-GLUCAN PHOSPHORYLASE 2, CYTOSOLIC, DI(HYDROXYETHYL)ETHER, ... | Authors: | O'Neill, E.C, Rashid, A.M, Stevenson, C.E.M, Hetru, A.C, Gunning, A.P, Rejzek, M, Nepogodiev, S.A, Bornemann, S, Lawson, D.M, Field, R.A. | Deposit date: | 2013-05-30 | Release date: | 2014-02-19 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Sugar-Coated Sensor Chip and Nanoparticle Surfaces for the in Vitro Enzymatic Synthesis of Starch-Like Materials Chem.Sci., 5, 2014
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4CFN
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![BU of 4cfn by Molmil](/molmil-images/mine/4cfn) | Structure-based design of C8-substituted O6-cyclohexylmethoxyguanine CDK1 and 2 inhibitors. | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 6-(cyclohexylmethoxy)-8-(trifluoromethyl)-9H-purin-2-amine, CYCLIN-A2, ... | Authors: | Carbain, B, Paterson, D.J, Anscombe, E, Campbell, A, Cano, C, Echalier, A, Endicott, J, Golding, B.T, Haggerty, K, Hardcastle, I.R, Jewsbury, P, Newell, D.R, Noble, M.E.M, Roche, C, Wang, L.Z, Griffin, R. | Deposit date: | 2013-11-19 | Release date: | 2013-12-18 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | 8-Substituted O6-Cyclohexylmethylguanine Cdk2 Inhibitors; Using Structure-Based Inhibitor Design to Optimise an Alternative Binding Mode. J.Med.Chem., 57, 2014
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8TUR
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8TYL
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![BU of 8tyl by Molmil](/molmil-images/mine/8tyl) | |
8UBG
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![BU of 8ubg by Molmil](/molmil-images/mine/8ubg) | DpHF19 filament | Descriptor: | DpHF19,Green fluorescent protein (Fragment) | Authors: | Lynch, E.M, Shen, H, Kollman, J.M, Baker, D. | Deposit date: | 2023-09-22 | Release date: | 2024-04-10 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | De novo design of pH-responsive self-assembling helical protein filaments. Nat Nanotechnol, 2024
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9FQ2
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![BU of 9fq2 by Molmil](/molmil-images/mine/9fq2) | Poliovirus 3C protease in H32 spacegroup | Descriptor: | Protease 3C | Authors: | Fairhead, M, Lithgo, R.M, MacLean, E.M, Bowesman-Jones, H, Aschenbrenner, J.C, Balcomb, B.H, Capkin, E, Chandran, A.V, Godoy, A.S, Marples, P.G, Fearon, D, von Delft, F, Koekemoer, L. | Deposit date: | 2024-06-14 | Release date: | 2024-06-26 | Method: | X-RAY DIFFRACTION (2.37 Å) | Cite: | Poliovirus 3C protease in H32 spacegroup To Be Published
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8TUQ
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![BU of 8tuq by Molmil](/molmil-images/mine/8tuq) | STL Polyomavirus LTA NLS bound to importin alpha 2 | Descriptor: | Importin subunit alpha-1, Large T antigen | Authors: | Donnelly, C.M, Cross, E.M, Forwood, J.K, Alvisi, G. | Deposit date: | 2023-08-17 | Release date: | 2024-02-07 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A functional and structural comparative analysis of large tumor antigens reveals evolution of different importin alpha-dependent nuclear localization signals. Protein Sci., 33, 2024
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8TUS
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![BU of 8tus by Molmil](/molmil-images/mine/8tus) | WU Polyomavirus LTA NLS bound to importin alpha 2 | Descriptor: | Importin subunit alpha-1, Large T antigen | Authors: | Donnelly, C.M, Cross, E.M, Forwood, J.K, Alvisi, G. | Deposit date: | 2023-08-17 | Release date: | 2024-02-07 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | A functional and structural comparative analysis of large tumor antigens reveals evolution of different importin alpha-dependent nuclear localization signals. Protein Sci., 33, 2024
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9FT0
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![BU of 9ft0 by Molmil](/molmil-images/mine/9ft0) | Yeast 20S proteasome in complex with epoxyketone inhibitor 42 | Descriptor: | (2S)-N-[(2S)-1-[[(1S)-2-cyclohexyl-1-[(2R,3S,6R,7S)-3-methanoyl-2,6-dimethyl-6,7-bis(oxidanyl)-1,4-oxazepan-7-yl]ethyl]amino]-3-(4-methoxyphenyl)-1-oxidanylidene-propan-2-yl]-2-(2-morpholin-4-ylethanoylamino)-4-oxidanyl-butanamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, ... | Authors: | Maurits, E, Huber, E.M, Dekker, P.M, Wang, X, Heinemeyer, W, Florea, B.I, Groll, M, Overkleeft, H.S. | Deposit date: | 2024-06-23 | Release date: | 2024-07-10 | Last modified: | 2024-07-17 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Structure-based design of peptide epoxyketones selectively targeting the three human immunoproteasome active sites to be published
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9B8P
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9FWC
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![BU of 9fwc by Molmil](/molmil-images/mine/9fwc) | Coxsackievirus B3 3C protease in C121 spacegroup | Descriptor: | Genome polyprotein | Authors: | Fairhead, M, Lithgo, R.M, MacLean, E.M, Bowesman-Jones, H, Aschenbrenner, J.C, Balcomb, B.H, Capkin, E, Chandran, A.V, Godoy, A.S, Marples, P.G, Fearon, D, von Delft, F, Koekemoer, L. | Deposit date: | 2024-06-28 | Release date: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.34 Å) | Cite: | Coxsackievirus B3 3C protease in C121 spacegroup To Be Published
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9FT1
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![BU of 9ft1 by Molmil](/molmil-images/mine/9ft1) | Yeast 20S proteasome in complex with epoxyketone inhibitor 13 | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, MAGNESIUM ION, Probable proteasome subunit alpha type-7, ... | Authors: | Maurits, E, Huber, E.M, Dekker, P.M, Wang, X, Heinemeyer, W, Florea, B.I, Groll, M, Overkleeft, H.S. | Deposit date: | 2024-06-23 | Release date: | 2024-07-10 | Last modified: | 2024-07-17 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure-based design of peptide epoxyketones selectively targeting the three human immunoproteasome active sites to be published
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8UB3
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![BU of 8ub3 by Molmil](/molmil-images/mine/8ub3) | DpHF7 filament | Descriptor: | DpHF7 filament | Authors: | Lynch, E.M, Farrell, D, Shen, H, Kollman, J.M, DiMaio, F, Baker, D. | Deposit date: | 2023-09-22 | Release date: | 2024-04-10 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | De novo design of pH-responsive self-assembling helical protein filaments. Nat Nanotechnol, 2024
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8UAO
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![BU of 8uao by Molmil](/molmil-images/mine/8uao) | DpHF18 filament | Descriptor: | DpHF18 | Authors: | Lynch, E.M, Shen, H, Kollman, J.M, Baker, D. | Deposit date: | 2023-09-21 | Release date: | 2024-04-10 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | De novo design of pH-responsive self-assembling helical protein filaments. Nat Nanotechnol, 2024
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1OW7
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![BU of 1ow7 by Molmil](/molmil-images/mine/1ow7) | Paxillin LD4 motif bound to the Focal Adhesion Targeting (FAT) domain of the Focal Adhesion Kinase | Descriptor: | Focal adhesion kinase 1, Paxillin | Authors: | Hoellerer, M.K, Noble, M.E.M, Labesse, G, Werner, J.M, Arold, S.T. | Deposit date: | 2003-03-28 | Release date: | 2003-10-21 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Molecular Recognition of Paxillin LD Motifs
by the Focal Adhesion Targeting Domain Structure, 11, 2003
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1OV6
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![BU of 1ov6 by Molmil](/molmil-images/mine/1ov6) | M64V PNP + ALLO | Descriptor: | 9-(6-DEOXY-BETA-D-ALLOFURANOSYL)-6-METHYLPURINE, PHOSPHATE ION, Purine nucleoside phosphorylase | Authors: | Ealick, S.E, Bennett, E.M, Anand, R, Secrist, J.A, Parker, P.W, Hassan, A.E, Allan, P.W, McPherson, D.T, Sorscher, E.J. | Deposit date: | 2003-03-25 | Release date: | 2004-02-17 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Designer gene therapy using an Escherichia coli purine nucleoside phosphorylase/prodrug system. Chem.Biol., 10, 2003
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2MIT
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![BU of 2mit by Molmil](/molmil-images/mine/2mit) | |
1OVG
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![BU of 1ovg by Molmil](/molmil-images/mine/1ovg) | M64V PNP +MePdr | Descriptor: | 9-(2-DEOXY-BETA-D-RIBOFURANOSYL)-6-METHYLPURINE, PHOSPHATE ION, Purine nucleoside phosphorylase | Authors: | Ealick, S.E, Bennett, E.M, Anand, R, Secrist, J.A, Parker, P.W, Hassan, A.E, Allan, P.W, McPherson, D.T, Sorscher, E.J. | Deposit date: | 2003-03-26 | Release date: | 2004-02-17 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Designer gene therapy using an Escherichia coli purine nucleoside phosphorylase/prodrug system. Chem.Biol., 10, 2003
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