5AGV
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![BU of 5agv by Molmil](/molmil-images/mine/5agv) | The sliding clamp of Mycobacterium tuberculosis in complex with a natural product. | Descriptor: | (R,R)-2,3-BUTANEDIOL, CALCIUM ION, CYCLOHEXYL GRISELIMYCIN, ... | Authors: | Lukat, P, Kling, A, Heinz, D.W, Mueller, R. | Deposit date: | 2015-02-03 | Release date: | 2015-06-03 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Antibiotics. Targeting Dnan for Tuberculosis Therapy Using Novel Griselimycins. Science, 348, 2015
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6UBZ
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![BU of 6ubz by Molmil](/molmil-images/mine/6ubz) | Crystal structure of D678A GoxA bound to glycine at pH 5.5 | Descriptor: | GLYCINE, MAGNESIUM ION, Uncharacterized protein GoxA | Authors: | Yukl, E.T. | Deposit date: | 2019-09-13 | Release date: | 2019-10-23 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Kinetic and structural evidence that Asp-678 plays multiple roles in catalysis by the quinoprotein glycine oxidase. J.Biol.Chem., 294, 2019
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8OVV
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7NN2
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![BU of 7nn2 by Molmil](/molmil-images/mine/7nn2) | |
7NMA
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![BU of 7nma by Molmil](/molmil-images/mine/7nma) | |
8OKF
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![BU of 8okf by Molmil](/molmil-images/mine/8okf) | WD repeat containing protein 5 (WDR5)- PER2 peptide | Descriptor: | CHLORIDE ION, Glutathione S-transferase class-mu 26 kDa isozyme,WD repeat domain 5, PENTAETHYLENE GLYCOL, ... | Authors: | Wolf, E, Boergel, A. | Deposit date: | 2023-03-28 | Release date: | 2024-04-10 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | A structural competition involving WDR5 times circadian oscillations To Be Published
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6OP2
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6LS4
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![BU of 6ls4 by Molmil](/molmil-images/mine/6ls4) | A novel anti-tumor agent S-40 in complex with tubulin | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-[(4-cyclopropylphenyl)sulfonylamino]-4-methyl-N-(pyridin-3-ylmethyl)benzamide, GLYCEROL, ... | Authors: | Du, T, Lin, S, Ji, M, Xue, N, Liu, Y, Zhang, K, Lu, D, Chen, X, Xu, H. | Deposit date: | 2020-01-17 | Release date: | 2021-01-20 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | A novel orally active microtubule destabilizing agent S-40 targets the colchicine-binding site and shows potent antitumor activity. Cancer Lett., 495, 2020
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7NP2
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7RUJ
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![BU of 7ruj by Molmil](/molmil-images/mine/7ruj) | E. coli cysteine desulfurase SufS N99A | Descriptor: | CHLORIDE ION, Cysteine desulfurase, PYRIDOXAL-5'-PHOSPHATE | Authors: | Dunkle, J.A, Gogar, R, Frantom, P.A. | Deposit date: | 2021-08-17 | Release date: | 2023-01-25 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | The beta-latch structural element of the SufS cysteine desulfurase mediates active site accessibility and SufE transpersulfurase positioning. J.Biol.Chem., 299, 2023
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7MWV
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6UKV
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![BU of 6ukv by Molmil](/molmil-images/mine/6ukv) | STING C-terminal Domain Complexed with Non-cyclic Dinucleotide Compound 9 | Descriptor: | 4-[6-(3-{[2-(3-carboxypropanoyl)-6-methoxy-1-benzothiophen-5-yl]oxy}propoxy)-5-methoxy-1-benzothiophen-2-yl]-4-oxobutanoic acid, fusion protein of Ubiquitin-like protein SMT3 and Stimulator of interferon protein c-terminal domain | Authors: | Lesburg, C.A. | Deposit date: | 2019-10-06 | Release date: | 2020-08-19 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | An orally available non-nucleotide STING agonist with antitumor activity. Science, 369, 2020
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4ZV1
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6UL6
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8OLP
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![BU of 8olp by Molmil](/molmil-images/mine/8olp) | |
6LT5
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![BU of 6lt5 by Molmil](/molmil-images/mine/6lt5) | Lysozyme protected by alginate gel | Descriptor: | CHLORIDE ION, GLYCEROL, Lysozyme C, ... | Authors: | Tomoike, F, Morita, S, Nagae, T, Okada, T. | Deposit date: | 2020-01-21 | Release date: | 2021-01-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.32 Å) | Cite: | Post-crystallization protection of protein crystals To Be Published
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4ZV2
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8CQY
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![BU of 8cqy by Molmil](/molmil-images/mine/8cqy) | Crystal structure of the PTPN3 PDZ domain bound to the PBM TACE C-terminal peptide | Descriptor: | Disintegrin and metalloproteinase domain-containing protein 17, SODIUM ION, Tyrosine-protein phosphatase non-receptor type 3 | Authors: | Genera, M, Colcombet-Cazenave, B, Croitoru, A, Raynal, B, Mechaly, A, Caillet, J, Haouz, A, Wolff, N, Caillet-Saguy, C. | Deposit date: | 2023-03-07 | Release date: | 2023-05-10 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Interactions of the protein tyrosine phosphatase PTPN3 with viral and cellular partners through its PDZ domain: insights into structural determinants and phosphatase activity. Front Mol Biosci, 10, 2023
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6ULQ
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![BU of 6ulq by Molmil](/molmil-images/mine/6ulq) | BRD2-BD1 in complex with the cyclic peptide 4.2_3 | Descriptor: | Bromodomain-containing protein 2, Cyclic peptide 4.2_3 | Authors: | Patel, K, Walshe, J.L, Walport, L.J, Mackay, J.P. | Deposit date: | 2019-10-08 | Release date: | 2020-08-19 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Cyclic peptides can engage a single binding pocket through highly divergent modes. Proc.Natl.Acad.Sci.USA, 117, 2020
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8ONP
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7NDX
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![BU of 7ndx by Molmil](/molmil-images/mine/7ndx) | Crystal structure of the human HSP40 DNAJB1-CTDs in complex with a peptide of NudC | Descriptor: | 1,2-ETHANEDIOL, DnaJ homolog subfamily B member 1, Nuclear migration protein nudC | Authors: | Delhommel, F, Zak, K.M, Popowicz, G.M, Sattler, M. | Deposit date: | 2021-02-02 | Release date: | 2022-01-19 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.541 Å) | Cite: | NudC guides client transfer between the Hsp40/70 and Hsp90 chaperone systems. Mol.Cell, 82, 2022
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7VTY
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![BU of 7vty by Molmil](/molmil-images/mine/7vty) | de novo designed protein | Descriptor: | de novo designed protein | Authors: | Zhang, L. | Deposit date: | 2021-10-31 | Release date: | 2022-06-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Rotamer-free protein sequence design based on deep learning and self-consistency. Nat Comput Sci, 2023
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7N14
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![BU of 7n14 by Molmil](/molmil-images/mine/7n14) | Crystal structure of 4-(1H-1,2,4-triazol-1-yl)benzoic acid-bound CYP199A4 | Descriptor: | 4-(1H-1,2,4-triazol-1-yl)benzoic acid, CHLORIDE ION, Cytochrome P450, ... | Authors: | Podgorski, M.N, Bruning, J.B, Bell, S.G. | Deposit date: | 2021-05-26 | Release date: | 2022-02-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.537 Å) | Cite: | To Be, or Not to Be, an Inhibitor: A Comparison of Azole Interactions with and Oxidation by a Cytochrome P450 Enzyme. Inorg.Chem., 61, 2022
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7VTA
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8OZ8
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![BU of 8oz8 by Molmil](/molmil-images/mine/8oz8) | Crystal Structure of an Hydroxynitrile lyase variant (H96A) from Granulicella tundricola | Descriptor: | 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, 3-CARBOXY-N,N,N-TRIMETHYLPROPAN-1-AMINIUM, BROMIDE ION, ... | Authors: | Bento, I, Coloma, J, Hagedoorn, P.-L, Hanefeld, U. | Deposit date: | 2023-05-08 | Release date: | 2024-04-10 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Can a Hydroxynitrile Lyase Catalyze an Oxidative Cleavage? Acs Catalysis, 13, 2023
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