6O4K
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![BU of 6o4k by Molmil](/molmil-images/mine/6o4k) | Structure of ALDH7A1 mutant E399Q complexed with NAD | Descriptor: | 1,2-ETHANEDIOL, Alpha-aminoadipic semialdehyde dehydrogenase, CHLORIDE ION, ... | Authors: | Tanner, J.J, Korasick, D.A, Laciak, A.R. | Deposit date: | 2019-02-28 | Release date: | 2019-11-06 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | Structural analysis of pathogenic mutations targeting Glu427 of ALDH7A1, the hot spot residue of pyridoxine-dependent epilepsy. J. Inherit. Metab. Dis., 43, 2020
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6O5K
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![BU of 6o5k by Molmil](/molmil-images/mine/6o5k) | Murine TRIM28 Bbox1 domain | Descriptor: | Transcription intermediary factor 1-beta, ZINC ION | Authors: | Sun, Y, Keown, J.R, Goldstone, D.C. | Deposit date: | 2019-03-03 | Release date: | 2019-06-19 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | A Dissection of Oligomerization by the TRIM28 Tripartite Motif and the Interaction with Members of the Krab-ZFP Family. J.Mol.Biol., 431, 2019
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6WPY
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5J3Z
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![BU of 5j3z by Molmil](/molmil-images/mine/5j3z) | Crystal structure of m2hTDP2-CAT in complex with a small molecule inhibitor | Descriptor: | 1,2-ETHANEDIOL, 2,4-dioxo-10-[3-(1H-tetrazol-5-yl)phenyl]-2,3,4,10-tetrahydropyrimido[4,5-b]quinoline-8-carbonitrile, ACETATE ION, ... | Authors: | Hornyak, P, Pearl, L.H, Caldecott, K.W, Oliver, A.W. | Deposit date: | 2016-03-31 | Release date: | 2016-05-04 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Mode of action of DNA-competitive small molecule inhibitors of tyrosyl DNA phosphodiesterase 2. Biochem.J., 473, 2016
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6O5Z
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![BU of 6o5z by Molmil](/molmil-images/mine/6o5z) | Crystal Structure of the human MLKL pseudokinase domain bound to compound 2 | Descriptor: | 1,2-ETHANEDIOL, 1-[2-fluoranyl-5-(trifluoromethyl)phenyl]-3-[4-[methyl-[2-[(3-sulfamoylphenyl)amino]pyrimidin-4-yl]amino]phenyl]urea, Mixed lineage kinase domain-like protein | Authors: | Cowan, A.D, Murphy, J.M, Pierotti, C.L, Lessene, G.L, Czabotar, P.E. | Deposit date: | 2019-03-04 | Release date: | 2020-09-16 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.285 Å) | Cite: | Potent Inhibition of Necroptosis by Simultaneously Targeting Multiple Effectors of the Pathway. Acs Chem.Biol., 15, 2020
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7UXN
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![BU of 7uxn by Molmil](/molmil-images/mine/7uxn) | Structure of PPIA in complex with FP29103, a Helicon Polypeptide | Descriptor: | FP29103, N,N'-(1,4-phenylene)diacetamide, Peptidyl-prolyl cis-trans isomerase A | Authors: | Li, K, Agarwal, S, Tokareva, O, Thomson, T, Tattersfield, H, Wahl, S, Verdine, G, McGee, J. | Deposit date: | 2022-05-05 | Release date: | 2022-12-28 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.36 Å) | Cite: | De novo mapping of alpha-helix recognition sites on protein surfaces using unbiased libraries. Proc.Natl.Acad.Sci.USA, 119, 2022
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6WU7
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6WU5
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![BU of 6wu5 by Molmil](/molmil-images/mine/6wu5) | Human Calcium and Integrin Binding Protein 3 | Descriptor: | CALCIUM ION, CHLORIDE ION, Calcium and integrin-binding family member 3, ... | Authors: | Dionne, G, Shapiro, L. | Deposit date: | 2020-05-04 | Release date: | 2021-06-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | CIB2 and CIB3 are auxiliary subunits of the mechanotransduction channel of hair cells. Neuron, 109, 2021
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7UDF
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8EVZ
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![BU of 8evz by Molmil](/molmil-images/mine/8evz) | DdlB from Pseudomonas aeruginosa PAO1 in complex with ADP and phosphorylated D-cycloserine | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, D-alanine--D-alanine ligase B, MAGNESIUM ION, ... | Authors: | Pederick, J.L, Woolman, J.C, Bruning, J.B. | Deposit date: | 2022-10-21 | Release date: | 2023-08-30 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Comparative functional and structural analysis of Pseudomonas aeruginosa d-alanine-d-alanine ligase isoforms as prospective antibiotic targets. Febs J., 290, 2023
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6WUD
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5JLC
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![BU of 5jlc by Molmil](/molmil-images/mine/5jlc) | Structure of CYP51 from the pathogen Candida glabrata | Descriptor: | 2-[(2R)-butan-2-yl]-4-{4-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazin-1-yl]phenyl}-2,4-dihydro-3H-1,2,4-triazol-3-one, CHLORIDE ION, Lanosterol 14-alpha demethylase, ... | Authors: | Keniya, M.V, Sabherwal, M, Wilson, R.K, Sagatova, A.A, Tyndall, J.D.A, Monk, B.C. | Deposit date: | 2016-04-26 | Release date: | 2016-05-25 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal Structures of Full-Length Lanosterol 14 alpha-Demethylases of Prominent Fungal Pathogens Candida albicans and Candida glabrata Provide Tools for Antifungal Discovery. Antimicrob.Agents Chemother., 62, 2018
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8EVW
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![BU of 8evw by Molmil](/molmil-images/mine/8evw) | DdlA from Pseudomonas aeruginosa PAO1 in complex with ATP and D-ala-D-ala | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, D-ALANINE, D-alanine--D-alanine ligase A, ... | Authors: | Pederick, J.L, Woolman, J.C, Bruning, J.B. | Deposit date: | 2022-10-21 | Release date: | 2023-08-30 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.22 Å) | Cite: | Comparative functional and structural analysis of Pseudomonas aeruginosa d-alanine-d-alanine ligase isoforms as prospective antibiotic targets. Febs J., 290, 2023
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8OU1
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7UZC
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6O8A
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![BU of 6o8a by Molmil](/molmil-images/mine/6o8a) | Thaumatin native-SAD structure determined at 5 keV from microcrystals | Descriptor: | L(+)-TARTARIC ACID, Thaumatin-1 | Authors: | Guo, G, Zhu, P, Fuchs, M.R, Shi, W, Andi, B, Gao, Y, Hendrickson, W.A, McSweeney, S, Liu, Q. | Deposit date: | 2019-03-09 | Release date: | 2019-05-08 | Last modified: | 2019-12-18 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Synchrotron microcrystal native-SAD phasing at a low energy. Iucrj, 6, 2019
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7UDA
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![BU of 7uda by Molmil](/molmil-images/mine/7uda) | Structure of the EstG | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta-lactamase domain-containing protein, SODIUM ION | Authors: | Chen, Z, Gabelli, S.B. | Deposit date: | 2022-03-18 | Release date: | 2023-01-11 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.47 Å) | Cite: | EstG is a novel esterase required for cell envelope integrity in Caulobacter. Curr.Biol., 33, 2023
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6O8D
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![BU of 6o8d by Molmil](/molmil-images/mine/6o8d) | Anti-CD28xCD3 CODV Fab bound to CD28 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Anti-CD28xCD3 CODV Fab Heavy chain, ... | Authors: | Lord, D.M, Wei, R.R. | Deposit date: | 2019-03-09 | Release date: | 2019-11-20 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.547 Å) | Cite: | Trispecific antibodies enhance the therapeutic efficacy of tumor-directed T cells through T cell receptor co-stimulation To Be Published
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8OT8
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7UZD
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8EVY
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![BU of 8evy by Molmil](/molmil-images/mine/8evy) | DdlB from Pseudomonas aeruginosa PAO1 in complex with ATP and D-ala-D-ala | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, D-ALANINE, D-alanine--D-alanine ligase B, ... | Authors: | Pederick, J.L, Woolman, J.C, Bruning, J.B. | Deposit date: | 2022-10-21 | Release date: | 2023-08-30 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Comparative functional and structural analysis of Pseudomonas aeruginosa d-alanine-d-alanine ligase isoforms as prospective antibiotic targets. Febs J., 290, 2023
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7UVN
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![BU of 7uvn by Molmil](/molmil-images/mine/7uvn) | Crystal structure of human ClpP protease in complex with TR-57 | Descriptor: | 3-({3-[(4-chlorophenyl)methyl]-1-methyl-2,4-dioxo-1,3,4,5,7,8-hexahydropyrido[4,3-d]pyrimidin-6(2H)-yl}methyl)benzonitrile, ATP-dependent Clp protease proteolytic subunit, mitochondrial | Authors: | Mabanglo, M.F, Houry, W.A. | Deposit date: | 2022-05-02 | Release date: | 2023-01-11 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (3.11 Å) | Cite: | Potent ClpP agonists with anticancer properties bind with improved structural complementarity and alter the mitochondrial N-terminome. Structure, 31, 2023
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6O8K
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![BU of 6o8k by Molmil](/molmil-images/mine/6o8k) | Crystal Structure of apo and reduced Sulfide-responsive transcriptional repressor (SqrR) from Rhodobacter capsulatus. | Descriptor: | GLYCEROL, SULFATE ION, Transcriptional regulator, ... | Authors: | Capdevila, D.A, Gonzalez-Gutierrez, G, Giedroc, D.P. | Deposit date: | 2019-03-11 | Release date: | 2020-04-01 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Structural basis for persulfide-sensing specificity in a transcriptional regulator. Nat.Chem.Biol., 17, 2021
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7UDQ
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![BU of 7udq by Molmil](/molmil-images/mine/7udq) | Crystal structure of COQ8A-CA157 inhibitor complex in space group P1 | Descriptor: | 4-[(3,4,5-trimethoxyphenyl)amino]quinoline-7-carbonitrile, Atypical kinase COQ8A, mitochondrial, ... | Authors: | Bingman, C.A, Murray, N, Smith, R.W, Pagliarini, D.J. | Deposit date: | 2022-03-20 | Release date: | 2023-01-18 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Small-molecule inhibition of the archetypal UbiB protein COQ8. Nat.Chem.Biol., 19, 2023
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8EJ0
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