6UTL
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![BU of 6utl by Molmil](/molmil-images/mine/6utl) | Yeast Thiol Specific antoxidant 2 with C171S mutation and catalytic cysteine alkylated with iodoacetamide | Descriptor: | Peroxiredoxin TSA2 | Authors: | Tairum, C.A, Bannitz-Fernandes, R, Tonoli, C.C.C, Murakami, M.T, de Oliveira, M.A, Netto, L.E.S. | Deposit date: | 2019-10-29 | Release date: | 2020-07-15 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Reduction of sulfenic acids by ascorbate in proteins, connecting thiol-dependent to alternative redox pathways. Free Radic Biol Med, 156, 2020
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8UH4
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8UGQ
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![BU of 8ugq by Molmil](/molmil-images/mine/8ugq) | |
1P09
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4MP4
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![BU of 4mp4 by Molmil](/molmil-images/mine/4mp4) | Crystal structure of a glutathione transferase family member from Acinetobacter baumannii, Target EFI-501785, apo structure | Descriptor: | Glutathione S-transferase, SULFATE ION | Authors: | Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Stead, M, Scott Glenn, A, Chowdhury, S, Evans, B, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Armstrong, R.N, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2013-09-12 | Release date: | 2013-10-09 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.498 Å) | Cite: | Crystal structure of a glutathione transferase family member from Acinetobacter baumannii, Target EFI-501785, apo structure To be Published
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1TYO
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![BU of 1tyo by Molmil](/molmil-images/mine/1tyo) | Isocitrate Dehydrogenase from the hyperthermophile Aeropyrum pernix in complex with etheno-NADP | Descriptor: | ETHENO-NADP, isocitrate dehydrogenase | Authors: | Karlstrom, M, Stokke, R, Steen, I.H, Birkeland, N, Ladenstein, R. | Deposit date: | 2004-07-08 | Release date: | 2005-07-08 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Isocitrate dehydrogenase from the hyperthermophile Aeropyrum pernix: X-ray structure analysis of a ternary enzyme-substrate complex and thermal stability J.Mol.Biol., 345, 2005
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8U5G
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![BU of 8u5g by Molmil](/molmil-images/mine/8u5g) | Crystal structure of the co-expressed SDS22:PP1:I3 complex | Descriptor: | E3 ubiquitin-protein ligase PPP1R11, FE (III) ION, PHOSPHATE ION, ... | Authors: | Choy, M.S, Peti, W, Page, R. | Deposit date: | 2023-09-12 | Release date: | 2023-12-06 | Last modified: | 2024-01-03 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | The SDS22:PP1:I3 complex: SDS22 binding to PP1 loosens the active site metal to prime metal exchange. J.Biol.Chem., 300, 2023
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1XHS
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![BU of 1xhs by Molmil](/molmil-images/mine/1xhs) | Solution NMR Structure of Protein ytfP from Escherichia coli. Northeast Structural Genomics Consortium Target ER111. | Descriptor: | Hypothetical UPF0131 protein ytfP | Authors: | Aramini, J.M, Huang, Y.J, Swapna, G.V.T, Paranji, R.K, Xiao, R, Shastry, R, Acton, T.B, Cort, J.R, Kennedy, M.A, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2004-09-20 | Release date: | 2005-01-04 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution NMR structure of Escherichia coli ytfP expands the structural coverage of the UPF0131 protein domain family. Proteins, 68, 2007
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8V2T
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![BU of 8v2t by Molmil](/molmil-images/mine/8v2t) | Phosphoheptose isomerase GMHA from Burkholderia pseudomallei bound to inhibitor Mut148591 | Descriptor: | 1,5,6-trideoxy-6,6-difluoro-1-(N-hydroxyformamido)-6-phosphono-D-ribo-hexitol, CHLORIDE ION, Phosphoheptose isomerase, ... | Authors: | Junop, M.S, Brown, C, Szabla, R. | Deposit date: | 2023-11-23 | Release date: | 2023-12-06 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.402 Å) | Cite: | Potentiating Activity of GmhA Inhibitors on Gram-Negative Bacteria. J.Med.Chem., 67, 2024
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8UQO
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![BU of 8uqo by Molmil](/molmil-images/mine/8uqo) | PLCb3-Gbg-Gaq complex on membranes | Descriptor: | 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase beta-3, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Falzone, M.E, MacKinnon, R. | Deposit date: | 2023-10-24 | Release date: | 2023-12-06 | Method: | ELECTRON MICROSCOPY (3.37 Å) | Cite: | The mechanism of G alpha q regulation of PLC beta 3 -catalyzed PIP2 hydrolysis. Proc.Natl.Acad.Sci.USA, 120, 2023
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4I5C
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![BU of 4i5c by Molmil](/molmil-images/mine/4i5c) | The Jak1 kinase domain in complex with inhibitor | Descriptor: | 1,2-ETHANEDIOL, 3-oxo-3-[(3R)-3-(pyrrolo[2,3-b][1,2,3]triazolo[4,5-d]pyridin-1(6H)-yl)piperidin-1-yl]propanenitrile, Tyrosine-protein kinase JAK1 | Authors: | Fong, R, Lupardus, P.J. | Deposit date: | 2012-11-28 | Release date: | 2013-05-22 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Novel triazolo-pyrrolopyridines as inhibitors of Janus kinase 1. Bioorg.Med.Chem.Lett., 23, 2013
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8V15
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![BU of 8v15 by Molmil](/molmil-images/mine/8v15) | Human SIRT3 bound to p53-AMC peptide, Carba-NAD, and Honokiol | Descriptor: | (1P)-3',5-di(prop-2-en-1-yl)[1,1'-biphenyl]-2,4'-diol, CARBA-NICOTINAMIDE-ADENINE-DINUCLEOTIDE, GLN-PRO-LYS-FDL, ... | Authors: | Chakrabarti, R, Ghosh, A, Guan, X, Upadhyay, A, Dumpati, R.K, Munshi, S, Roy, S, Chall, S, Rahnamoun, A, Reverdy, C, Errasti, G, Delacroix, T. | Deposit date: | 2023-11-19 | Release date: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Computationally Driven Discovery and Characterization of SIRT3 Activating Compounds that Fully Recover Catalytic Activity under NAD+ Depletion biorxiv, 2023
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8V2N
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![BU of 8v2n by Molmil](/molmil-images/mine/8v2n) | Human SIRT3 co-crystallized with ligands, including p53-AMC peptide and Carba-NAD | Descriptor: | CARBA-NICOTINAMIDE-ADENINE-DINUCLEOTIDE, GLN-PRO-LYS-FDL, NAD-dependent protein deacetylase sirtuin-3, ... | Authors: | Chakrabarti, R, Ghosh, A, Guan, X, Upadhyay, A, Dumpati, R.K, Munshi, S, Roy, S, Chall, S, Rahnamoun, A, Reverdy, C, Errasti, G, Delacroix, T. | Deposit date: | 2023-11-23 | Release date: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Computationally Driven Discovery and Characterization of SIRT3 Activating Compounds that Fully Recover Catalytic Activity under NAD+ Depletion biorxiv, 2023
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8V4J
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![BU of 8v4j by Molmil](/molmil-images/mine/8v4j) | Phosphoheptose isomerase GMHA from Burkholderia pseudomallei bound to inhibitor Mut148233 | Descriptor: | 1-deoxy-1-[formyl(hydroxy)amino]-5-O-phosphono-D-ribitol, CHLORIDE ION, Phosphoheptose isomerase, ... | Authors: | Junop, M.S, Brown, C, Szabla, R. | Deposit date: | 2023-11-29 | Release date: | 2023-12-13 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.31 Å) | Cite: | Potentiating Activity of GmhA Inhibitors on Gram-Negative Bacteria. J.Med.Chem., 67, 2024
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8UQN
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![BU of 8uqn by Molmil](/molmil-images/mine/8uqn) | PLCb3-Gaq complex on membranes | Descriptor: | 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase beta-3, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Falzone, M.E, MacKinnon, R. | Deposit date: | 2023-10-24 | Release date: | 2023-12-06 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | The mechanism of G alpha q regulation of PLC beta 3 -catalyzed PIP2 hydrolysis. Proc.Natl.Acad.Sci.USA, 120, 2023
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8UQT
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![BU of 8uqt by Molmil](/molmil-images/mine/8uqt) | Crystal structure of the Tree Shrew p53 tetramerization domain | Descriptor: | Cellular tumor antigen p53, SULFATE ION | Authors: | Wahba, H.M, Sakaguchi, S, Nakagawa, N, Wada, J, Kamada, R, Sakaguchi, K, Omichinski, J.G. | Deposit date: | 2023-10-24 | Release date: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.16 Å) | Cite: | Highly Similar Tetramerization Domains from the p53 Protein of Different Mammalian Species Possess Varying Biophysical, Functional and Structural Properties. Int J Mol Sci, 24, 2023
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8UQS
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![BU of 8uqs by Molmil](/molmil-images/mine/8uqs) | Crystal structure of the Opossum p53 tetramerization domain | Descriptor: | Cellular tumor antigen p53 (Fragment) | Authors: | Wahba, H.M, Sakaguchi, S, Nakagawa, N, Wada, J, Kamada, R, Sakaguchi, K, Omichinski, J.G. | Deposit date: | 2023-10-24 | Release date: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Highly Similar Tetramerization Domains from the p53 Protein of Different Mammalian Species Possess Varying Biophysical, Functional and Structural Properties. Int J Mol Sci, 24, 2023
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1W3Z
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![BU of 1w3z by Molmil](/molmil-images/mine/1w3z) | SeMet derivative of BbCRASP-1 from Borrelia Burgdorferi | Descriptor: | BBCRASP-1 | Authors: | Cordes, F.S, Roversi, P, Goodstadt, L, Ponting, C, Kraiczy, P, Skerka, C, Kirschfink, M, Simon, M.M, Brade, V, Zipfel, P, Wallich, R, Lea, S.M. | Deposit date: | 2004-07-21 | Release date: | 2005-02-09 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | A Novel Fold for the Factor H-Binding Protein Bbcrasp-1 of Borrelia Burgdorferi Nat.Struct.Mol.Biol., 12, 2005
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8UQR
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![BU of 8uqr by Molmil](/molmil-images/mine/8uqr) | Crystal structure of the human p53 tetramerization domain | Descriptor: | Cellular tumor antigen p53 | Authors: | Wahba, H.M, Sakaguchi, S, Nakagawa, N, Wada, J, Kamada, R, Sakaguchi, K, Omichinski, J.G. | Deposit date: | 2023-10-24 | Release date: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.22 Å) | Cite: | Highly Similar Tetramerization Domains from the p53 Protein of Different Mammalian Species Possess Varying Biophysical, Functional and Structural Properties. Int J Mol Sci, 24, 2023
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1TZ9
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![BU of 1tz9 by Molmil](/molmil-images/mine/1tz9) | Crystal Structure of the Putative Mannonate Dehydratase from Enterococcus faecalis, Northeast Structural Genomics Target EfR41 | Descriptor: | Mannonate dehydratase | Authors: | Forouhar, F, Chen, Y, Xiao, R, Cooper, B, Shastry, R, Acton, T.A, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2004-07-09 | Release date: | 2004-07-20 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Crystal Structure of the Putative Mannonate Dehydratase from Enterococcus faecalis, Northeast Structural Genomics Target EfR41 To be Published
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1UDZ
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![BU of 1udz by Molmil](/molmil-images/mine/1udz) | Isoleucyl-tRNA synthetase editing domain | Descriptor: | Isoleucyl-tRNA synthetase | Authors: | Fukunaga, R, Fukai, S, Ishitani, R, Nureki, O, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2003-05-08 | Release date: | 2004-03-23 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structures of the CP1 domain from Thermus thermophilus isoleucyl-tRNA synthetase and its complex with L-valine. J.Biol.Chem., 279, 2004
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7KPU
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8VC2
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![BU of 8vc2 by Molmil](/molmil-images/mine/8vc2) | CryoEM structure of insect gustatory receptor BmGr9 in the presence of fructose | Descriptor: | (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, Gustatory receptor | Authors: | Frank, H.M, Walsh Jr, R.M, Garrity, P.A, Gaudet, R. | Deposit date: | 2023-12-13 | Release date: | 2024-01-10 | Last modified: | 2024-01-24 | Method: | ELECTRON MICROSCOPY (3.98 Å) | Cite: | Structure of an insect gustatory receptor. Biorxiv, 2023
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1TWD
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![BU of 1twd by Molmil](/molmil-images/mine/1twd) | Crystal Structure of the Putative Copper Homeostasis Protein (CutC) from Shigella flexneri, Northeast Structural Genomics Target SfR33 | Descriptor: | Copper homeostasis protein cutC | Authors: | Forouhar, F, Lee, I, Vorobiev, S.M, Ma, L.-C, Shastry, R, Conover, K, Xiao, R, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2004-06-30 | Release date: | 2004-07-20 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal Structure of the Putative Copper Homeostasis Protein (CutC) from Shigella flexneri, Northeast Structural Genomics Target SfR33 To be Published
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6F0H
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![BU of 6f0h by Molmil](/molmil-images/mine/6f0h) | Crystal structure ASF1-ip4 | Descriptor: | CITRIC ACID, GLYCEROL, Histone chaperone ASF1A, ... | Authors: | Bakail, M, Richet, N, Le Du, M.H, Andreani, J, Guerois, R, Ochsenbein, F. | Deposit date: | 2017-11-20 | Release date: | 2019-06-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Design on a Rational Basis of High-Affinity Peptides Inhibiting the Histone Chaperone ASF1. Cell Chem Biol, 26, 2019
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