8OP0
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![BU of 8op0 by Molmil](/molmil-images/mine/8op0) | VHH Z70 mutant 20 in interaction with PHF6 Tau peptide | Descriptor: | Tau PHF6 peptide, VHH Z70 mutant 20 | Authors: | Dupre, E, Mortelecque, J, NGuyen, M, Hanoulle, X, Landrieu, I. | Deposit date: | 2023-04-06 | Release date: | 2023-05-31 | Last modified: | 2024-04-24 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | A selection and optimization strategy for single-domain antibodies targeting the PHF6 linear peptide within the tau intrinsically disordered protein. J.Biol.Chem., 300, 2024
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3ZS2
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![BU of 3zs2 by Molmil](/molmil-images/mine/3zs2) | TyrB25,NMePheB26,LysB28,ProB29-insulin analogue crystal structure | Descriptor: | CHLORIDE ION, INSULIN A CHAIN, INSULIN B CHAIN, ... | Authors: | Antolikova, E, Zakova, L, Turkenburg, J.P, Watson, C.J, Hanclova, I, Sanda, M, Cooper, A, Kraus, T, Brzozowski, A.M, Jiracek, J.A. | Deposit date: | 2011-06-21 | Release date: | 2011-08-31 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Non-Equivalent Role of Inter- and Intramolecular Hydrogen Bonds in the Insulin Dimer Interface. J.Biol.Chem., 286, 2011
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5CTU
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![BU of 5ctu by Molmil](/molmil-images/mine/5ctu) | Crystal structure of the ATP binding domain of S. aureus GyrB complexed with a fragment | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 5-(thiophen-2-yl)thieno[2,3-d]pyrimidin-4(1H)-one, CHLORIDE ION, ... | Authors: | Andersen, O.A, Barker, J, Cheng, R.K, Kahmann, J, Felicetti, B, Wood, M, Scheich, C, Mesleh, M, Cross, J.B, Zhang, J, Yang, Q, Lippa, B, Ryan, M.D. | Deposit date: | 2015-07-24 | Release date: | 2016-02-03 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Fragment-based discovery of DNA gyrase inhibitors targeting the ATPase subunit of GyrB. Bioorg.Med.Chem.Lett., 26, 2016
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5DDO
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5DZM
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![BU of 5dzm by Molmil](/molmil-images/mine/5dzm) | |
5AWL
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![BU of 5awl by Molmil](/molmil-images/mine/5awl) | CRYSTAL STRUCTURE OF A MUTANT OF CHIGNOLIN, CLN025 | Descriptor: | A mutant of Chignolin, CLN025 | Authors: | Akiba, T, Ishimura, M, Odahara, T, Harata, K, Honda, S. | Deposit date: | 2015-07-05 | Release date: | 2015-08-12 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.11 Å) | Cite: | Crystal structure of a ten-amino acid protein J.Am.Chem.Soc., 130, 2008
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3ZU1
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1WAA
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![BU of 1waa by Molmil](/molmil-images/mine/1waa) | IG27 protein domain | Descriptor: | TITIN, ZINC ION | Authors: | Vega, M.C, Valencia, L, Zou, P, Wilmanns, M. | Deposit date: | 2004-10-25 | Release date: | 2006-07-05 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Mechanical Network in Titin Immunoglobulin from Force Distribution Analysis. Plos Comput.Biol., 5, 2009
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2YBG
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![BU of 2ybg by Molmil](/molmil-images/mine/2ybg) | Structure of Lys120-acetylated p53 core domain | Descriptor: | CELLULAR TUMOR ANTIGEN P53, ZINC ION | Authors: | Arbely, E, Allen, M.D, Joerger, A.C, Fersht, A.R. | Deposit date: | 2011-03-08 | Release date: | 2011-05-04 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Acetylation of Lysine 120 of P53 Endows DNA- Binding Specificity at Effective Physiological Salt Concentration. Proc.Natl.Acad.Sci.USA, 108, 2011
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2YDR
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![BU of 2ydr by Molmil](/molmil-images/mine/2ydr) | CpOGA D298N in complex with p53-derived O-GlcNAc peptide | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CADMIUM ION, CELLULAR TUMOR ANTIGEN P53, ... | Authors: | Schimpl, M, Borodkin, V.S, Gray, L.J, van Aalten, D.M.F. | Deposit date: | 2011-03-24 | Release date: | 2012-03-14 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Synergy of Peptide and Sugar in O-Glcnacase Substrate Recognition. Chem.Biol., 19, 2012
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6ZVO
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![BU of 6zvo by Molmil](/molmil-images/mine/6zvo) | Crystal structure of unliganded MLKL executioner domain | Descriptor: | BROMIDE ION, CHLORIDE ION, Mixed lineage kinase domain-like protein | Authors: | Fiegen, D, Bauer, M, Nar, H. | Deposit date: | 2020-07-27 | Release date: | 2020-12-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.371 Å) | Cite: | Locking mixed-lineage kinase domain-like protein in its auto-inhibited state prevents necroptosis. Proc.Natl.Acad.Sci.USA, 117, 2020
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8A92
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![BU of 8a92 by Molmil](/molmil-images/mine/8a92) | p53-Y220C Core Domain in Complex with a Bromo-trifluoro-pyrazole-amine | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-bromanyl-5-(trifluoromethyl)-1H-pyrazol-3-amine, Cellular tumor antigen p53, ... | Authors: | Stahlecker, J, Braun, M.B, Stehle, T, Boeckler, F.M. | Deposit date: | 2022-06-27 | Release date: | 2022-11-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.37 Å) | Cite: | Revisiting a challenging p53 binding site: a diversity-optimized HEFLib reveals diverse binding modes in T-p53C-Y220C. Rsc Med Chem, 13, 2022
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6ZZ1
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![BU of 6zz1 by Molmil](/molmil-images/mine/6zz1) | Crystal structure of MLKL executioner domain in complex with a covalent inhibitor | Descriptor: | 7-(2-methoxyethoxymethyl)-1,3-dimethyl-purine-2,6-dione, Mixed lineage kinase domain-like protein | Authors: | Fiegen, D, Bauer, M, Nar, H. | Deposit date: | 2020-08-03 | Release date: | 2020-12-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Locking mixed-lineage kinase domain-like protein in its auto-inhibited state prevents necroptosis. Proc.Natl.Acad.Sci.USA, 117, 2020
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6VBK
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![BU of 6vbk by Molmil](/molmil-images/mine/6vbk) | Crystal structure of N-terminal domain of Mycobacterium tuberculosis complex Lon protease | Descriptor: | GLYCEROL, Lon211 | Authors: | Bi, F.K, Chen, C, Chen, X.Y, Guo, C.Y, Lin, D.H. | Deposit date: | 2019-12-19 | Release date: | 2020-12-23 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of the N domain of Lon protease from Mycobacterium avium complex. Protein Sci., 28, 2019
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8BZP
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![BU of 8bzp by Molmil](/molmil-images/mine/8bzp) | JNK3 (Mitogen-activated protein kinase 10) in Complex with Compound 23 bearing a C(sp3)F2Br moiety | Descriptor: | 1,2-ETHANEDIOL, 2-bromanyl-2,2-bis(fluoranyl)-~{N}-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)ethanamide, BETA-MERCAPTOETHANOL, ... | Authors: | Stahlecker, J, Vaas, S, Stehle, T, Boeckler, F.M. | Deposit date: | 2022-12-15 | Release date: | 2023-08-02 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Principles and Applications of CF 2 X Moieties as Unconventional Halogen Bond Donors in Medicinal Chemistry, Chemical Biology, and Drug Discovery. J.Med.Chem., 66, 2023
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4M13
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7KDZ
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4MGW
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![BU of 4mgw by Molmil](/molmil-images/mine/4mgw) | Comparison of the structural and dynamic effects of 5-methylcytosine and 5-chlorocytosine in a CpG dinucleotide sequence | Descriptor: | ClC containing Dickerson-Drew dodecamer, MAGNESIUM ION | Authors: | Theruvathu, J.A, Whitney, Y, Montgomery Pettitt, B, Sowers, L.C. | Deposit date: | 2013-08-29 | Release date: | 2013-11-06 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Comparison of the structural and dynamic effects of 5-methylcytosine and 5-chlorocytosine in a CpG dinucleotide sequence. Biochemistry, 52, 2013
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4MEC
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4M12
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4M0Z
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4MKW
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7ZOZ
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![BU of 7zoz by Molmil](/molmil-images/mine/7zoz) | Crystal structure of Siglec-15 in complex with Fab | Descriptor: | Anti-Siglec 15 Fab HC, Anti-Siglec 15 Fab LC, Sialic acid-binding Ig-like lectin 15 | Authors: | Lenza, M.P, Oyenarte, I, Jimenez-Barbero, J, Ereno-Orbea, J. | Deposit date: | 2022-04-26 | Release date: | 2023-06-28 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.104 Å) | Cite: | Structural insights into Siglec-15 reveal glycosylation dependency for its interaction with T cells through integrin CD11b. Nat Commun, 14, 2023
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7ZOR
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![BU of 7zor by Molmil](/molmil-images/mine/7zor) | Crystal structure of anti-Siglec-15 Fab | Descriptor: | Anti-siglec15 FAB HC, Anti-siglec15 FAB LC | Authors: | Lenza, M.P, Oyenarte, I, Jimenez-Barbero, J, Ereno-Orbea, J. | Deposit date: | 2022-04-26 | Release date: | 2023-06-28 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (3.933 Å) | Cite: | Structural insights into Siglec-15 reveal glycosylation dependency for its interaction with T cells through integrin CD11b. Nat Commun, 14, 2023
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4NEO
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![BU of 4neo by Molmil](/molmil-images/mine/4neo) | Structure of BlmI, a type-II acyl-carrier-protein from Streptomyces verticillus involved in bleomycin biosynthesis | Descriptor: | 1,2-ETHANEDIOL, 2-(2-METHOXYETHOXY)ETHANOL, Peptide synthetase NRPS type II-PCP | Authors: | Cuff, M.E, Bigelow, L, Bearden, J, Babnigg, G, Bruno, C.J.P, Bingman, C.A, Yennamalli, R, Lohman, J, Ma, M, Shen, B, Phillips Jr, G.N, Joachimiak, A, Enzyme Discovery for Natural Product Biosynthesis (NatPro), Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2013-10-29 | Release date: | 2014-01-29 | Last modified: | 2023-03-22 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The crystal structure of BlmI as a model for nonribosomal peptide synthetase peptidyl carrier proteins. Proteins, 82, 2014
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