5F08
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![BU of 5f08 by Molmil](/molmil-images/mine/5f08) | Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium tuberculosis in complex with compound 14 at 1.92A resolution | Descriptor: | HTH-type transcriptional regulator EthR, ~{tert}-butyl ~{N}-methyl-~{N}-[[4-[4-(3-oxidanylidene-3-pyrrolidin-1-yl-propyl)piperidin-1-yl]phenyl]methyl]carbamate | Authors: | Surade, S, Blaszczyk, M, Nikiforov, P.O, Abell, C, Blundell, T.L. | Deposit date: | 2015-11-27 | Release date: | 2016-02-03 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | A fragment merging approach towards the development of small molecule inhibitors of Mycobacterium tuberculosis EthR for use as ethionamide boosters. Org.Biomol.Chem., 14, 2016
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6ARP
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![BU of 6arp by Molmil](/molmil-images/mine/6arp) | Structure of a mutant Cetuximab Fab fragment | Descriptor: | Cetuximab mutant Fab heavy chain,Immunoglobulin gamma-1 heavy chain, Cetuximab mutant light chain,Uncharacterized protein, GLYCEROL, ... | Authors: | Christie, M, Christ, D. | Deposit date: | 2017-08-23 | Release date: | 2018-08-29 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure of a mutant Cetuximab Fab fragment To Be Published
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2M72
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![BU of 2m72 by Molmil](/molmil-images/mine/2m72) | Solution structure of uncharacterized thioredoxin-like protein PG_2175 from Porphyromonas gingivalis | Descriptor: | Uncharacterized thioredoxin-like protein | Authors: | Harris, R, Ahmed, M, Attonito, J, Bonanno, J.B, Chamala, S, Chowdhury, S, Evans, B, Fiser, A, Glenn, A.S, Hammonds, J, Hillerich, B, Khafizov, K, Lafleur, J, Love, J.D, Seidel, R.D, Stead, M, Girvin, M.E, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2013-04-16 | Release date: | 2013-05-15 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Solution structure of uncharacterized thioredoxin-like protein PG_2175 from Porphyromonas gingivalis To be Published
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6E1L
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![BU of 6e1l by Molmil](/molmil-images/mine/6e1l) | GRN3Ala | Descriptor: | Granulin | Authors: | Dastpeyman, M, Bansal, P, Wilson, D, Sotillo, J, Brindley, P, Loukas, A, Smout, M, Daly, N. | Deposit date: | 2018-07-10 | Release date: | 2019-02-06 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Structural Variants of a Liver Fluke Derived Granulin Peptide Potently Stimulate Wound Healing. J. Med. Chem., 61, 2018
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6AU3
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![BU of 6au3 by Molmil](/molmil-images/mine/6au3) | Crystal structure of SETDB1 Tudor domain with aryl triazole fragments | Descriptor: | 1,2-ETHANEDIOL, Histone-lysine N-methyltransferase SETDB1, N-{[2-(3,5-dimethyl-4H-1,2,4-triazol-4-yl)phenyl]methyl}acetamide, ... | Authors: | MADER, P, Mendoza-Sanchez, R, IQBAL, A, DONG, A, DOBROVETSKY, E, CORLESS, V.B, LIEW, S.K, TEMPEL, W, SMIL, D, DELA SENA, C.C, KENNEDY, S, DIAZ, D, HOLOWNIA, A, VEDADI, M, BROWN, P.J, SANTHAKUMAR, V, Bountra, C, Edwards, A.M, YUDIN, A.K, Arrowsmith, C.H, Structural Genomics Consortium (SGC) | Deposit date: | 2017-08-30 | Release date: | 2017-09-27 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of SETDB1 Tudor domain with aryl triazole fragments to be published
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6AVJ
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![BU of 6avj by Molmil](/molmil-images/mine/6avj) | Crystal structure of human Mitochondrial inner NEET protein (MiNT)/CISD3 | Descriptor: | CDGSH iron-sulfur domain-containing protein 3, mitochondrial, FE2/S2 (INORGANIC) CLUSTER | Authors: | Lipper, C.H, Karmi, O, Sohn, Y.S, Darash-Yahana, M, Lammert, H, Song, L, Liu, A, Mittler, R, Nechushtai, R, Onuchic, J.N, Jennings, P.A. | Deposit date: | 2017-09-02 | Release date: | 2017-12-20 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure of the human monomeric NEET protein MiNT and its role in regulating iron and reactive oxygen species in cancer cells. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6AWE
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![BU of 6awe by Molmil](/molmil-images/mine/6awe) | Crystal Structure of Purine Nucleoside Phosphorylase Isoform 2 from Schistosoma mansoni in complex with 2-fluoro-6-(2-pyridin-2-ylethylamino)benzonitrile | Descriptor: | 2-fluoro-6-{[2-(pyridin-2-yl)ethyl]amino}benzonitrile, DIMETHYL SULFOXIDE, Purine nucleoside phosphorylase | Authors: | Faheem, M, Neto, J.B, Collins, P, Pearce, N.M, Valadares, N.F, Bird, L, Pereira, H.M, Delft, F.V, Barbosa, J.A.R.G. | Deposit date: | 2017-09-05 | Release date: | 2018-09-12 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Crystal Structure of Purine Nucleoside Phosphorylase Isoform 2 from Schistosoma mansoni in complex with 2-fluoro-6-(2-pyridin-2-ylethylamino)benzonitrile To Be Published
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2MLS
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![BU of 2mls by Molmil](/molmil-images/mine/2mls) | Membrane Bilayer complex with Matrix Metalloproteinase-12 at its Beta-face | Descriptor: | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CALCIUM ION, Macrophage metalloelastase, ... | Authors: | Koppisetti, R.K, Fulcher, Y.G, Prior, S.H, Lenoir, M, Overduin, M, Van Doren, S.R. | Deposit date: | 2014-03-04 | Release date: | 2014-12-03 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Ambidextrous binding of cell and membrane bilayers by soluble matrix metalloproteinase-12. Nat Commun, 5, 2014
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2M56
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![BU of 2m56 by Molmil](/molmil-images/mine/2m56) | The structure of the complex of cytochrome P450cam and its electron donor putidaredoxin determined by paramagnetic NMR spectroscopy | Descriptor: | CAMPHOR, Camphor 5-monooxygenase, FE2/S2 (INORGANIC) CLUSTER, ... | Authors: | Hiruma, Y, Hass, M.A.S, Ubbink, M. | Deposit date: | 2013-02-14 | Release date: | 2013-08-21 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | The structure of the cytochrome p450cam-putidaredoxin complex determined by paramagnetic NMR spectroscopy and crystallography. J.Mol.Biol., 425, 2013
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2M6T
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![BU of 2m6t by Molmil](/molmil-images/mine/2m6t) | NMR solution structure ensemble of 3-4D mutant domain 11 IGF2R | Descriptor: | Insulin-like growth factor 2 receptor variant | Authors: | Strickland, M, Williams, C, Richards, E, Minnall, L, Crump, M.P, Frago, S, Hughes, J, Garner, L, Hoppe, H, Rezgui, D, Zaccheo, O.J, Prince, S.N, Hassan, A.B, Whittaker, S. | Deposit date: | 2013-04-09 | Release date: | 2014-10-15 | Last modified: | 2016-06-01 | Method: | SOLUTION NMR | Cite: | Functional evolution of IGF2:IGF2R domain 11 binding generates novel structural interactions and a specific IGF2 antagonist. Proc.Natl.Acad.Sci.USA, 113, 2016
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1IL6
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![BU of 1il6 by Molmil](/molmil-images/mine/1il6) | HUMAN INTERLEUKIN-6, NMR, MINIMIZED AVERAGE STRUCTURE | Descriptor: | INTERLEUKIN-6 | Authors: | Xu, G.Y, Yu, H.A, Hong, J, Stahl, M, Mcdonagh, T, Kay, L.E, Cumming, D.A. | Deposit date: | 1997-01-31 | Release date: | 1998-02-04 | Last modified: | 2022-02-23 | Method: | SOLUTION NMR | Cite: | Solution structure of recombinant human interleukin-6. J.Mol.Biol., 268, 1997
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5EZG
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![BU of 5ezg by Molmil](/molmil-images/mine/5ezg) | Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in complex with compound 22 at 1.84A resolution | Descriptor: | HTH-type transcriptional regulator EthR, SULFATE ION, ~{N}-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]pyrrolidine-1-carboxamide | Authors: | Surade, S, Blaszczyk, M, Nikiforov, P.O, Abell, C, Blundell, T.L. | Deposit date: | 2015-11-26 | Release date: | 2016-02-03 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | A fragment merging approach towards the development of small molecule inhibitors of Mycobacterium tuberculosis EthR for use as ethionamide boosters. Org.Biomol.Chem., 14, 2016
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6AOD
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![BU of 6aod by Molmil](/molmil-images/mine/6aod) | FXIa antibody complex | Descriptor: | COBALT (II) ION, Coagulation factor XI, FXIa Antibody FAB Heavy Chain, ... | Authors: | Lolicato, M, Minor, D.L. | Deposit date: | 2017-08-15 | Release date: | 2018-03-14 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural Basis for Activity and Specificity of an Anticoagulant Anti-FXIa Monoclonal Antibody and a Reversal Agent. Structure, 26, 2018
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3M0O
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![BU of 3m0o by Molmil](/molmil-images/mine/3m0o) | |
3M55
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![BU of 3m55 by Molmil](/molmil-images/mine/3m55) | SET7/9 Y305F in complex with TAF10-K189me1 peptide and AdoHcy | Descriptor: | Histone-lysine N-methyltransferase SETD7, S-ADENOSYL-L-HOMOCYSTEINE, TAF10 peptide | Authors: | Del Rizzo, P.A, Couture, J.-F, Roiko, M.S, Strunk, B.S, Brunzelle, J.S, Dirk, L.M, Houtz, R.L, Trievel, R.C. | Deposit date: | 2010-03-12 | Release date: | 2010-07-28 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | SET7/9 catalytic mutants reveal the role of active site water molecules in lysine multiple methylation. J.Biol.Chem., 285, 2010
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1S01
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![BU of 1s01 by Molmil](/molmil-images/mine/1s01) | |
2MDX
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![BU of 2mdx by Molmil](/molmil-images/mine/2mdx) | |
2MCY
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![BU of 2mcy by Molmil](/molmil-images/mine/2mcy) | CR1 Sushi domains 2 and 3 | Descriptor: | Complement receptor type 1 | Authors: | Park, H.J, Guariento, M.J, Maciejewski, M, Hauart, R, Tham, W, Cowman, A.F, Schmidt, C.Q, Martens, H, Liszewski, K.M, Hourcade, D, Barlow, P.N, Atkinson, J.P. | Deposit date: | 2013-08-27 | Release date: | 2013-11-13 | Last modified: | 2014-01-22 | Method: | SOLUTION NMR | Cite: | Using Mutagenesis and Structural Biology to Map the Binding Site for the Plasmodium falciparum Merozoite Protein PfRh4 on the Human Immune Adherence Receptor. J.Biol.Chem., 289, 2014
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6B65
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![BU of 6b65 by Molmil](/molmil-images/mine/6b65) | IMPase (AF2372) R92Q/K164E | Descriptor: | DI(HYDROXYETHYL)ETHER, Fructose-1,6-bisphosphatase/inositol-1-monophosphatase, ISOPROPYL ALCOHOL, ... | Authors: | Goldstein, R.I, Roberts, M. | Deposit date: | 2017-10-01 | Release date: | 2018-10-03 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.702 Å) | Cite: | Osmolyte binding capacity of a dual action IMPase/FBPase (AF2372) To Be Published
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3M53
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![BU of 3m53 by Molmil](/molmil-images/mine/3m53) | SET7/9 in complex with TAF10 peptide and AdoHcy | Descriptor: | Histone-lysine N-methyltransferase SETD7, S-ADENOSYL-L-HOMOCYSTEINE, TAF10 peptide | Authors: | Del Rizzo, P.A, Couture, J.-F, Roiko, M.S, Strunk, B.S, Brunzelle, J.S, Dirk, L.M, Houtz, R.L, Trievel, R.C. | Deposit date: | 2010-03-12 | Release date: | 2010-07-28 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | SET7/9 catalytic mutants reveal the role of active site water molecules in lysine multiple methylation. J.Biol.Chem., 285, 2010
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2MF1
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![BU of 2mf1 by Molmil](/molmil-images/mine/2mf1) | Structural basis of the non-coding RNA RsmZ acting as protein sponge: Conformer R of RsmZ(1-72)/RsmE(dimer) 1to3 complex | Descriptor: | Carbon storage regulator homolog, RNA_(72-MER) | Authors: | Duss, O, Michel, E, Yulikov, M, Schubert, M, Jeschke, G, Allain, F.H.-T. | Deposit date: | 2013-10-02 | Release date: | 2014-05-21 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Structural basis of the non-coding RNA RsmZ acting as a protein sponge. Nature, 509, 2014
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5F0H
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![BU of 5f0h by Molmil](/molmil-images/mine/5f0h) | Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in complex with compound 28 at 1.99A resolution | Descriptor: | 3-[1-(4-cyanophenyl)piperidin-4-yl]-~{N}-[(4-piperidin-1-ylphenyl)methyl]propanamide, HTH-type transcriptional regulator EthR | Authors: | Surade, S, Blaszczyk, M, Nikiforov, P.O, Abell, C, Blundell, T.L. | Deposit date: | 2015-11-27 | Release date: | 2016-02-03 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | A fragment merging approach towards the development of small molecule inhibitors of Mycobacterium tuberculosis EthR for use as ethionamide boosters. Org.Biomol.Chem., 14, 2016
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6B7W
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![BU of 6b7w by Molmil](/molmil-images/mine/6b7w) | Structure of hen egg-white lysozyme pre-treated with high pressure (600 MPa) under isobaric condition | Descriptor: | ACETATE ION, CHLORIDE ION, GLYCEROL, ... | Authors: | Morais, M.A.B, Nascimento, A.F.Z, Tominaga, C.Y, Cristianini, M, Tribst, A.A.L, Murakami, M.T. | Deposit date: | 2017-10-05 | Release date: | 2018-07-25 | Method: | X-RAY DIFFRACTION (1.482 Å) | Cite: | How high pressure pre-treatments affect the function and structure of hen egg-white lysozyme Innov Food Sci Emerg Technol, 47, 2018
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2MLR
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![BU of 2mlr by Molmil](/molmil-images/mine/2mlr) | Membrane Bilayer complex with Matrix Metalloproteinase-12 at its Alpha-face | Descriptor: | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CALCIUM ION, Macrophage metalloelastase, ... | Authors: | Koppisetti, R.K, Fulcher, Y.G, Prior, S.H, Lenoir, M, Overduin, M, Van Doren, S.R. | Deposit date: | 2014-03-04 | Release date: | 2014-12-03 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Ambidextrous binding of cell and membrane bilayers by soluble matrix metalloproteinase-12. Nat Commun, 5, 2014
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5F1J
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![BU of 5f1j by Molmil](/molmil-images/mine/5f1j) | Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in complex with compound 1 at 1.63A resolution | Descriptor: | 3-cyclopentyl-1-pyrrolidin-1-yl-propan-1-one, HTH-type transcriptional regulator EthR | Authors: | Surade, S, Blaszczyk, M, Nikiforov, P.O, Abell, C, Blundell, T.L. | Deposit date: | 2015-11-30 | Release date: | 2016-02-03 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.631 Å) | Cite: | A fragment merging approach towards the development of small molecule inhibitors of Mycobacterium tuberculosis EthR for use as ethionamide boosters. Org.Biomol.Chem., 14, 2016
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