7A7T
 
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6SP1
 | | KEAP1 IN COMPLEX WITH COMPOUND 6 | | Descriptor: | (1~{S},2~{R})-2-[[(1~{S})-1-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-5-(2-hydroxyethyloxy)-3,4-dihydro-1~{H}-isoquinolin-2-yl]carbonyl]cyclohexane-1-carboxylic acid, ACETATE ION, Kelch-like ECH-associated protein 1 | | Authors: | Ontoria, J.M, Biancofiore, I, Fezzardi, P, Torrente de Haro, E, Colarusso, S, Bianchi, E, Andreini, M, Patsilinakos, A, Summa, V, Pacifici, R, Munoz-Sanjuan, I, Park, L, Bresciani, A, Dominguez, C, Toledo-Sherman, L, Harper, S. | | Deposit date: | 2019-08-30 | | Release date: | 2020-06-03 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.57 Å) | | Cite: | Combined Peptide and Small-Molecule Approach toward Nonacidic THIQ Inhibitors of the KEAP1/NRF2 Interaction.
Acs Med.Chem.Lett., 11, 2020
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6ZNJ
 | | MaeB full-length enzyme apoprotein form | | Descriptor: | NADP-dependent malate dehydrogenase,Malate dehydrogenase | | Authors: | Lovering, A.L, Harding, C.J. | | Deposit date: | 2020-07-06 | | Release date: | 2021-02-17 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3.7 Å) | | Cite: | A rotary mechanism for allostery in bacterial hybrid malic enzymes.
Nat Commun, 12, 2021
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6SSG
 | | Transaminase with DCS bound | | Descriptor: | ForI-DCS, SULFATE ION, [4-[(~{Z})-[(2~{R},5~{R})-5-(azanyloxymethyl)-3,6-bis(oxidanylidene)piperazin-2-yl]methoxyiminomethyl]-6-methyl-5-oxidanyl-pyridin-3-yl]methyl dihydrogen phosphate | | Authors: | Naismith, J.H, Gao, S. | | Deposit date: | 2019-09-06 | | Release date: | 2020-01-15 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | PMP-diketopiperazine adducts form at the active site of a PLP dependent enzyme involved in formycin biosynthesis.
Chem.Commun.(Camb.), 55, 2019
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7A7P
 | | rsGreen0.7-K206A partially in the green-off state | | Descriptor: | 1,2-ETHANEDIOL, Green fluorescent protein, NITRATE ION | | Authors: | De Zitter, E, Dedecker, P, Van Meervelt, L. | | Deposit date: | 2020-08-30 | | Release date: | 2021-02-17 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | Structure-Function Dataset Reveals Environment Effects within a Fluorescent Protein Model System*.
Angew.Chem.Int.Ed.Engl., 60, 2021
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7A7W
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7A88
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5M1O
 | | Crystal structure of the large terminase nuclease from thermophilic phage G20c with bound Cobalt | | Descriptor: | COBALT (II) ION, Phage terminase large subunit | | Authors: | Xu, R.G, Jenkins, H.T, Chechik, M, Blagova, E.V, Greive, S.J, Antson, A.A. | | Deposit date: | 2016-10-09 | | Release date: | 2016-10-26 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Viral genome packaging terminase cleaves DNA using the canonical RuvC-like two-metal catalysis mechanism.
Nucleic Acids Res., 45, 2017
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7A8J
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7A7Z
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7A8L
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6S9E
 | | Tubulin-GDP.AlF complex | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ALUMINUM FLUORIDE, CALCIUM ION, ... | | Authors: | Oliva, M.A, Estevez-Gallego, J, Diaz, J.F, Prota, A.E, Steinmetz, M.O, Balaguer, F.A, Lucena-Agell, D. | | Deposit date: | 2019-07-12 | | Release date: | 2020-02-19 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Structural model for differential cap maturation at growing microtubule ends.
Elife, 9, 2020
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7A7S
 | | rsGreenF in the green-on state | | Descriptor: | Green fluorescent protein | | Authors: | De Zitter, E, Dedecker, P, Van Meervelt, L. | | Deposit date: | 2020-08-30 | | Release date: | 2021-02-17 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Structure-Function Dataset Reveals Environment Effects within a Fluorescent Protein Model System*.
Angew.Chem.Int.Ed.Engl., 60, 2021
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5LCF
 | | VIM-2 metallo-beta-lactamase in complex with 3-oxo-2-phenylisoindoline-4-carboxylic acid (compound 30) | | Descriptor: | 3-oxidanylidene-2-phenyl-1~{H}-isoindole-4-carboxylic acid, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Li, G.-B, Brem, J, McDonough, M.A, Schofield, C.J. | | Deposit date: | 2016-06-21 | | Release date: | 2017-02-15 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | NMR-filtered virtual screening leads to non-metal chelating metallo-beta-lactamase inhibitors.
Chem Sci, 8, 2017
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6SSC
 | | N-acetylmuramoyl-L-alanine amidase LysC from Clostridium intestinale URNW | | Descriptor: | GLYCEROL, N-acetylmuramoyl-L-alanine amidase, PHOSPHATE ION, ... | | Authors: | Hakansson, M, Al-Karadaghi, S, Kovacic, R, Plotka, M, Kaczorowska, A.K, Kaczorowski, T. | | Deposit date: | 2019-09-06 | | Release date: | 2020-09-30 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.21 Å) | | Cite: | Molecular Characterization of a Novel Lytic Enzyme LysC from Clostridium intestinale URNW and Its Antibacterial Activity Mediated by Positively Charged N -Terminal Extension.
Int J Mol Sci, 21, 2020
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6ZN4
 | | MaeB malic enzyme domain apoprotein | | Descriptor: | MAGNESIUM ION, NADP-dependent malate dehydrogenase,Malate dehydrogenase | | Authors: | Lovering, A.L, Harding, C.J. | | Deposit date: | 2020-07-06 | | Release date: | 2021-02-17 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.679 Å) | | Cite: | A rotary mechanism for allostery in bacterial hybrid malic enzymes.
Nat Commun, 12, 2021
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7A6Q
 | | Crystal structure of human aldehyde dehydrogenase 1A3 in complex with selective NR6 inhibitor compound | | Descriptor: | (3-oxidanylidene-3-sodiooxy-propanoyl)oxysodium, 3-(2-phenylimidazo[1,2-a]pyridin-6-yl)benzenecarbonitrile, Aldehyde dehydrogenase family 1 member A3, ... | | Authors: | Gelardi, E.L.M, Garavaglia, S. | | Deposit date: | 2020-08-26 | | Release date: | 2021-02-17 | | Last modified: | 2025-10-01 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | A Selective Competitive Inhibitor of Aldehyde Dehydrogenase 1A3 Hinders Cancer Cell Growth, Invasiveness and Stemness In Vitro.
Cancers (Basel), 13, 2021
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7A85
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7A8N
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5M18
 | | Crystal structure of PBP2a from MRSA in the presence of Cefepime ligand | | Descriptor: | CADMIUM ION, Penicillin-binding protein 2, beta-muramic acid | | Authors: | Molina, R, Batuecas, M.T, Hermoso, J.A. | | Deposit date: | 2016-10-07 | | Release date: | 2017-02-08 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Conformational Dynamics in Penicillin-Binding Protein 2a of Methicillin-Resistant Staphylococcus aureus, Allosteric Communication Network and Enablement of Catalysis.
J. Am. Chem. Soc., 139, 2017
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7A8E
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5M1F
 | | Crystal structure of the large terminase nuclease from thermophilic phage G20c | | Descriptor: | Phage terminase large subunit | | Authors: | Xu, R.G, Jenkins, H.T, Chechik, M, Blagova, E.V, Greive, S.J, Antson, A.A. | | Deposit date: | 2016-10-07 | | Release date: | 2016-10-26 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Viral genome packaging terminase cleaves DNA using the canonical RuvC-like two-metal catalysis mechanism.
Nucleic Acids Res., 45, 2017
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7A8K
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5LDM
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6SFO
 | | MAPK14 with bound inhibitor SR-318 | | Descriptor: | 5-azanyl-~{N}-[[4-(3-cyclohexylpropylcarbamoyl)phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide, GLYCEROL, Mitogen-activated protein kinase 14, ... | | Authors: | Schroeder, M, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2019-08-01 | | Release date: | 2019-09-11 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | MAPK14 with bound inhibitor SR-318
To Be Published
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