4X5Y
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![BU of 4x5y by Molmil](/molmil-images/mine/4x5y) | Menin in complex with MI-503 | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-methyl-1-(1H-pyrazol-4-ylmethyl)-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1H-indole-2-carbonitrile, ... | Authors: | Pollock, J, Borkin, D, Cierpicki, T, Grembecka, J. | Deposit date: | 2014-12-06 | Release date: | 2015-04-15 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Pharmacologic Inhibition of the Menin-MLL Interaction Blocks Progression of MLL Leukemia In Vivo. Cancer Cell, 27, 2015
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6WCH
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6WKU
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![BU of 6wku by Molmil](/molmil-images/mine/6wku) | Twelve Chloride Ions Drive Assembly of Human alpha345 Collagen IV NC1 domain | Descriptor: | 1,2-ETHANEDIOL, 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, CHLORIDE ION, ... | Authors: | Boudko, S.P, Hudson, B.G. | Deposit date: | 2020-04-17 | Release date: | 2021-04-07 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Collagen IV alpha 345 dysfunction in glomerular basement membrane diseases. II. Crystal structure of the alpha 345 hexamer. J.Biol.Chem., 296, 2021
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6WHO
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![BU of 6who by Molmil](/molmil-images/mine/6who) | Histone deacetylases complex with peptide macrocycles | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Histone deacetylase 2, SODIUM ION, ... | Authors: | Bera, A.K, Hosseinzadeh, P, Watson, P, Baker, D. | Deposit date: | 2020-04-08 | Release date: | 2021-04-21 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Anchor extension: a structure-guided approach to design cyclic peptides targeting enzyme active sites. Nat Commun, 12, 2021
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6WHN
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![BU of 6whn by Molmil](/molmil-images/mine/6whn) | Histone deacetylases complex with peptide macrocycles | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, DI(HYDROXYETHYL)ETHER, Histone deacetylase 2, ... | Authors: | Bera, A.K, Hosseinzadeh, P, Watson, P, Baker, D. | Deposit date: | 2020-04-08 | Release date: | 2021-04-21 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Anchor extension: a structure-guided approach to design cyclic peptides targeting enzyme active sites. Nat Commun, 12, 2021
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4U04
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![BU of 4u04 by Molmil](/molmil-images/mine/4u04) | Structure of a eukaryotic fic domain containing protein | Descriptor: | Adenosine monophosphate-protein transferase FICD, D(-)-TARTARIC ACID, TETRAETHYLENE GLYCOL | Authors: | Cole, A.R, Bunney, T.D, Katan, M. | Deposit date: | 2014-07-11 | Release date: | 2014-12-10 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Crystal structure of the human, FIC-domain containing protein HYPE and implications for its functions. Structure, 22, 2014
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6WHQ
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![BU of 6whq by Molmil](/molmil-images/mine/6whq) | Histone deacetylases complex with peptide macrocycles | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Histone deacetylase 2, SODIUM ION, ... | Authors: | Bera, A.K, Hosseinzadeh, P, Watson, P, Baker, D. | Deposit date: | 2020-04-08 | Release date: | 2021-04-21 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Anchor extension: a structure-guided approach to design cyclic peptides targeting enzyme active sites. Nat Commun, 12, 2021
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6WHZ
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![BU of 6whz by Molmil](/molmil-images/mine/6whz) | Histone deacetylases complex with peptide macrocycles | Descriptor: | Histone deacetylase 2, SODIUM ION, TETRAETHYLENE GLYCOL, ... | Authors: | Bera, A.K, Hosseinzadeh, P, Watson, P, Baker, D. | Deposit date: | 2020-04-08 | Release date: | 2021-04-21 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Anchor extension: a structure-guided approach to design cyclic peptides targeting enzyme active sites. Nat Commun, 12, 2021
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6WI3
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![BU of 6wi3 by Molmil](/molmil-images/mine/6wi3) | Histone deacetylases complex with peptide macrocycles | Descriptor: | (SHA)W(DTH)DN(DSN)(DME)(DAS)K peptide macrocycle, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Histone deacetylase 2, ... | Authors: | Bera, A.K, Hosseinzadeh, P, Watson, P, Baker, D. | Deposit date: | 2020-04-08 | Release date: | 2021-04-21 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Anchor extension: a structure-guided approach to design cyclic peptides targeting enzyme active sites. Nat Commun, 12, 2021
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4ZML
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![BU of 4zml by Molmil](/molmil-images/mine/4zml) | Crystal structure of human P-cadherin (ss-dimer) | Descriptor: | CALCIUM ION, CHLORIDE ION, Cadherin-3, ... | Authors: | Caaveiro, J.M.M, Kudo, S, Tsumoto, K. | Deposit date: | 2015-05-04 | Release date: | 2016-09-07 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Adhesive Dimerization of Human P-Cadherin Catalyzed by a Chaperone-like Mechanism Structure, 24, 2016
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4OMW
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![BU of 4omw by Molmil](/molmil-images/mine/4omw) | Crystal structure of goat beta-lactoglobulin (orthorhombic form) | Descriptor: | Beta-lactoglobulin, GLYCEROL, SULFATE ION, ... | Authors: | Loch, J.I, Swiatek, S, Czub, M, Ludwikowska, M, Lewinski, K. | Deposit date: | 2014-01-27 | Release date: | 2014-11-19 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Conformational variability of goat beta-lactoglobulin: Crystallographic and thermodynamic studies. Int.J.Biol.Macromol., 72C, 2014
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7Y7B
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![BU of 7y7b by Molmil](/molmil-images/mine/7y7b) | Cryo-EM structure of cryptophyte photosystem I | Descriptor: | (1~{R})-3,5,5-trimethyl-4-[(3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E})-3,7,12,16-tetramethyl-18-[(4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-3,5,7,9,11,13,15-heptaen-1,17-diynyl]cyclohex-3-en-1-ol, (1~{R})-3,5,5-trimethyl-4-[(3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-3,5,7,9,11,13,15,17-octaen-1-ynyl]cyclohex-3-en-1-ol, (1~{R})-3,5,5-trimethyl-4-[(3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-[(1~{R},4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohex-2-en-1-yl]octadeca-3,5,7,9,11,13,15,17-octaen-1-ynyl]cyclohex-3-en-1-ol, ... | Authors: | Zhao, L.S, Li, K, Zhang, Y.Z, Liu, L.N. | Deposit date: | 2022-06-22 | Release date: | 2023-04-12 | Last modified: | 2023-07-12 | Method: | ELECTRON MICROSCOPY (2.66 Å) | Cite: | Structural basis and evolution of the photosystem I-light-harvesting supercomplex of cryptophyte algae. Plant Cell, 35, 2023
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7Y8A
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![BU of 7y8a by Molmil](/molmil-images/mine/7y8a) | Cryo-EM structure of cryptophyte photosystem I | Descriptor: | (1~{R})-3,5,5-trimethyl-4-[(3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E})-3,7,12,16-tetramethyl-18-[(4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-3,5,7,9,11,13,15-heptaen-1,17-diynyl]cyclohex-3-en-1-ol, (1~{R})-3,5,5-trimethyl-4-[(3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-3,5,7,9,11,13,15,17-octaen-1-ynyl]cyclohex-3-en-1-ol, (1~{R})-3,5,5-trimethyl-4-[(3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-[(1~{R},4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohex-2-en-1-yl]octadeca-3,5,7,9,11,13,15,17-octaen-1-ynyl]cyclohex-3-en-1-ol, ... | Authors: | Zhao, L.S, Zhang, Y.Z, Liu, L.N, Li, K. | Deposit date: | 2022-06-23 | Release date: | 2023-04-12 | Last modified: | 2023-07-12 | Method: | ELECTRON MICROSCOPY (2.71 Å) | Cite: | Structural basis and evolution of the photosystem I-light-harvesting supercomplex of cryptophyte algae. Plant Cell, 35, 2023
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7TQ8
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![BU of 7tq8 by Molmil](/molmil-images/mine/7tq8) | Structure of MERS 3CL protease in complex with the cyclopropane based inhibitor 14d | Descriptor: | (1R,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[(1R,2S)-2-propylcyclopropyl]methoxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid, (1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[(1R,2S)-2-propylcyclopropyl]methoxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid, Orf1a protein, ... | Authors: | Liu, L, Lovell, S, Battaile, K.P, Nguyen, H.N, Chamandi, S.D, Picard, H.R, Madden, T.K, Thruman, H.A, Kim, Y, Groutas, W.C, Chang, K.O. | Deposit date: | 2022-01-26 | Release date: | 2022-03-02 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Broad-Spectrum Cyclopropane-Based Inhibitors of Coronavirus 3C-like Proteases: Biochemical, Structural, and Virological Studies. Acs Pharmacol Transl Sci, 6, 2023
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4TY7
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3ZDM
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![BU of 3zdm by Molmil](/molmil-images/mine/3zdm) | Crystal structure of the Sgt2 N domain and the Get5 UBL domain complex | Descriptor: | SMALL GLUTAMINE-RICH TETRATRICOPEPTIDE REPEAT- CONTAINING PROTEIN 2, UBIQUITIN-LIKE PROTEIN MDY2 | Authors: | Tung, J.-Y, Li, Y.-C, Hsiao, C.-D. | Deposit date: | 2012-11-29 | Release date: | 2013-10-02 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.803 Å) | Cite: | Structure of the Sgt2 Dimerization Domain Complexed with the Get5 Ubl Domain Involved in the Targeting of Tail-Anchored Membrane Proteins to the Endoplasmic Reticulum. Acta Crystallogr.,Sect.D, 69, 2013
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5I73
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![BU of 5i73 by Molmil](/molmil-images/mine/5i73) | X-ray structure of the ts3 human serotonin transporter complexed with s-citalopram at the central and allosteric sites | Descriptor: | (1S)-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile, 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-AMINOHEXANOIC ACID, ... | Authors: | Coleman, J.A, Green, E.M, Gouaux, E. | Deposit date: | 2016-02-16 | Release date: | 2016-04-13 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (3.24 Å) | Cite: | X-ray structures and mechanism of the human serotonin transporter. Nature, 532, 2016
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8OJU
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![BU of 8oju by Molmil](/molmil-images/mine/8oju) | Crystal structure of the human IgD Fab - structure Fab3 | Descriptor: | 1,2-ETHANEDIOL, Human IgD Fab heavy chain, Human IgD Fab light chain, ... | Authors: | Davies, A.M, Beavil, R.L, McDonnell, J.M. | Deposit date: | 2023-03-24 | Release date: | 2023-06-14 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Crystal structures of the human IgD Fab reveal insights into C H 1 domain diversity. Mol.Immunol., 159, 2023
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4U0U
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![BU of 4u0u by Molmil](/molmil-images/mine/4u0u) | Wild type eukaryotic fic domain containing protein with ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Adenosine monophosphate-protein transferase FICD, MAGNESIUM ION, ... | Authors: | Cole, A.R, Bunney, T.D, Katan, M. | Deposit date: | 2014-07-14 | Release date: | 2014-12-10 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.98 Å) | Cite: | Crystal structure of the human, FIC-domain containing protein HYPE and implications for its functions. Structure, 22, 2014
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5II3
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![BU of 5ii3 by Molmil](/molmil-images/mine/5ii3) | The X-ray structure of the adduct formed in the reaction between hen egg white lysozyme and compound 3, a platin(II) compound containing a O, S bidentate ligand | Descriptor: | CHLORIDE ION, DIMETHYL SULFOXIDE, Lysozyme C, ... | Authors: | Ferraro, G, Merlino, A. | Deposit date: | 2016-03-01 | Release date: | 2016-12-07 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Platinum(ii) O,S complexes as potential metallodrugs against Cisplatin resistance. Dalton Trans, 45, 2016
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4Y5L
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![BU of 4y5l by Molmil](/molmil-images/mine/4y5l) | Endothiapepsin in its apo form | Descriptor: | ACETATE ION, DI(HYDROXYETHYL)ETHER, Endothiapepsin, ... | Authors: | Schiebel, J, Heine, A, Klebe, G. | Deposit date: | 2015-02-11 | Release date: | 2016-03-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (0.99 Å) | Cite: | Crystallographic Fragment Screening of an Entire Library To Be Published
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8CO4
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![BU of 8co4 by Molmil](/molmil-images/mine/8co4) | Crystal structure of apo S-nitrosoglutathione reductase from Arabidopsis thalina | Descriptor: | 1,2-ETHANEDIOL, Alcohol dehydrogenase class-3, DI(HYDROXYETHYL)ETHER, ... | Authors: | Fermani, S, Fanti, S, Carloni, G, Rossi, J, Falini, G, Zaffagnini, M. | Deposit date: | 2023-02-27 | Release date: | 2024-02-21 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural and biochemical characterization of Arabidopsis alcohol dehydrogenases reveals distinct functional properties but similar redox sensitivity. Plant J., 118, 2024
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7TTC
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![BU of 7ttc by Molmil](/molmil-images/mine/7ttc) | BamABCDE bound to substrate EspP | Descriptor: | 2,3-dideoxy-6-O-[2-deoxy-4-O-phosphono-2-(tetradecanoylamino)-alpha-L-gulopyranosyl]-1-O-phosphono-beta-D-threo-hexopyranose, Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamB, ... | Authors: | Doyle, M.T, Jimah, J.R, Dowdy, T, Ohlemacher, S.I, Larion, M, Hinshaw, J.E, Bernstein, H.D. | Deposit date: | 2022-02-01 | Release date: | 2022-03-30 | Last modified: | 2022-04-13 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Cryo-EM structures reveal multiple stages of bacterial outer membrane protein folding. Cell, 185, 2022
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8CH0
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![BU of 8ch0 by Molmil](/molmil-images/mine/8ch0) | Crystal structure of an 8-repeat consensus TPR superhelix with Gadolinium. | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Consensus tetratricopeptide repeat protein, ... | Authors: | Liutkus, M, Rojas, A.L, Cortajarena, A.L. | Deposit date: | 2023-02-06 | Release date: | 2024-02-21 | Last modified: | 2024-04-24 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Diverse crystalline protein scaffolds through metal-dependent polymorphism. Protein Sci., 33, 2024
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8CIG
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![BU of 8cig by Molmil](/molmil-images/mine/8cig) | Crystal structure of an 8-repeat consensus TPR superhelix in tris Buffer with Calcium. | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, ... | Authors: | Liutkus, M, Rojas, A.L, Cortajarena, A.L. | Deposit date: | 2023-02-09 | Release date: | 2024-02-21 | Last modified: | 2024-04-24 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Diverse crystalline protein scaffolds through metal-dependent polymorphism. Protein Sci., 33, 2024
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