6W4K
 
 | | Crystal structure of Lysine Specific Demethylase 1 (LSD1) with CC-90011 | | Descriptor: | 4-[2-(4-aminopiperidin-1-yl)-5-(3-fluoro-4-methoxyphenyl)-1-methyl-6-oxo-1,6-dihydropyrimidin-4-yl]-2-fluorobenzonitrile, FLAVIN-ADENINE DINUCLEOTIDE, Lysine-specific histone demethylase 1A, ... | | Authors: | Hosfield, D.J. | | Deposit date: | 2020-03-11 | | Release date: | 2020-10-21 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.93 Å) | | Cite: | Discovery of CC-90011: A Potent and Selective Reversible Inhibitor of Lysine Specific Demethylase 1 (LSD1).
J.Med.Chem., 63, 2020
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6X3L
 | | Sortilin-Progranulin Interaction With Compound 2 | | Descriptor: | 1-benzyl-3-tert-butyl-1H-pyrazole-5-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ... | | Authors: | Parthasarathy, G, Soisson, S.M. | | Deposit date: | 2020-05-21 | | Release date: | 2020-08-12 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Identification of potent inhibitors of the sortilin-progranulin interaction.
Bioorg.Med.Chem.Lett., 30, 2020
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8D9O
 | | De Novo Photosynthetic Reaction Center Protein in Apo-State | | Descriptor: | CADMIUM ION, Reaction Center Maquette | | Authors: | Ennist, N.M, Stayrook, S.E, Dutton, P.L, Moser, C.C. | | Deposit date: | 2022-06-10 | | Release date: | 2022-09-28 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Rational design of photosynthetic reaction center protein maquettes.
Front Mol Biosci, 9, 2022
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6WXY
 | | crystal structure of cA6-bound Card1 | | Descriptor: | Card1, cA6 | | Authors: | Rostol, J, Xie, W, Patel, D.J, Marraffini, L. | | Deposit date: | 2020-05-12 | | Release date: | 2020-12-30 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The Card1 nuclease provides defence during type III CRISPR immunity.
Nature, 590, 2021
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8D07
 | | Hallucinated C3 protein assembly HALC3_109 | | Descriptor: | HALC3_109 | | Authors: | Ragotte, R.J, Bera, A.K, Wicky, B.I.M, Milles, L.F, Baker, D. | | Deposit date: | 2022-05-25 | | Release date: | 2022-09-28 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Hallucinating symmetric protein assemblies.
Science, 378, 2022
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7UDX
 | | Designed pentameric proton channel QLQL | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, De novo designed pentameric proton channel QLQL | | Authors: | Kratochvil, H.T, Thomaston, J.L, Liu, L, DeGrado, W.F. | | Deposit date: | 2022-03-20 | | Release date: | 2022-04-06 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.99 Å) | | Cite: | Transient water wires mediate selective proton transport in designed channel proteins.
Nat.Chem., 15, 2023
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7V1L
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6VIY
 | | BRD2_Bromodomain2 complex with pyrrolopyridone compound 27 | | Descriptor: | 4-[2-(2,6-dimethylphenoxy)-5-(ethylsulfonyl)phenyl]-N-ethyl-6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide, Bromodomain-containing protein 2 | | Authors: | Longenecker, K.L, Park, C.H, Qiu, W. | | Deposit date: | 2020-01-14 | | Release date: | 2020-05-06 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.904 Å) | | Cite: | Discovery ofN-Ethyl-4-[2-(4-fluoro-2,6-dimethyl-phenoxy)-5-(1-hydroxy-1-methyl-ethyl)phenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (ABBV-744), a BET Bromodomain Inhibitor with Selectivity for the Second Bromodomain.
J.Med.Chem., 63, 2020
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8Q3J
 | | Crystal structure of mIL-38 in complex with a neutralizing Fab e04 fragment | | Descriptor: | Fab e04 Heavy Chain (e04 HC), Fab e04 Light Chain (e04 LC), Interleukin-1 family member 10, ... | | Authors: | Garcia-Pardo, J, Da Silva, P, Mora, J, Wiechmann, S, Putyrski, M, You, X, Kannt, A, Ernst, A, Brune, B, Weigert, A. | | Deposit date: | 2023-08-04 | | Release date: | 2024-08-14 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Neutralizing IL-38 activates gammaDelta T cell-dependent anti-tumor immunity and sensitizes for chemotherapy
To be published
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6VO7
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6VY8
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8G9W
 | | Cryo-EM structure of vFP49.02 Fab in complex with HIV-1 Env BG505 DS-SOSIP.664 (conformation 1) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp120, ... | | Authors: | Changela, A, Gorman, J, Kwong, P.D. | | Deposit date: | 2023-02-22 | | Release date: | 2023-04-19 | | Last modified: | 2023-06-14 | | Method: | ELECTRON MICROSCOPY (4.66 Å) | | Cite: | Diverse Murine Vaccinations Reveal Distinct Antibody Classes to Target Fusion Peptide and Variation in Peptide Length to Improve HIV Neutralization.
J.Virol., 97, 2023
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8F4V
 | | Alpha7 nicotinic acetylcholine receptor intracellular and transmembrane domains bound to ivermectin in a desensitized state | | Descriptor: | (2aE,4E,5'S,6S,6'R,7S,8E,11R,13R,15S,17aR,20R,20aR,20bS)-6'-[(2S)-butan-2-yl]-20,20b-dihydroxy-5',6,8,19-tetramethyl-17 -oxo-3',4',5',6,6',10,11,14,15,17,17a,20,20a,20b-tetradecahydro-2H,7H-spiro[11,15-methanofuro[4,3,2-pq][2,6]benzodioxacy clooctadecine-13,2'-pyran]-7-yl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl)-3-O-methyl-alpha-L-arabino-hexopyranoside, Neuronal acetylcholine receptor subunit alpha-7 | | Authors: | Bondarenko, V, Chen, Q, Tang, P. | | Deposit date: | 2022-11-11 | | Release date: | 2023-02-22 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structural Elucidation of Ivermectin Binding to alpha 7nAChR and the Induced Channel Desensitization.
Acs Chem Neurosci, 14, 2023
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8EJB
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8TKM
 | | Murine NF-kappaB p50 Rel Homology Region homodimer in complex with 17-mer kappaB DNA from human interleukin-6 (IL-6) promoter | | Descriptor: | 17-mer kappaB DNA, Nuclear factor NF-kappa-B p50 subunit | | Authors: | Zhu, N, Mealka, M, Mitchel, S, Rogers, W.E, Huxford, T. | | Deposit date: | 2023-07-25 | | Release date: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | X-ray Crystallographic Study of Preferred Spacing by the NF-kappa B p50 Homodimer on kappa B DNA.
Biomolecules, 13, 2023
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6WL6
 | | Cocomplex structure of Deoxyhypusine synthase with inhibitor 6-[(2R)-1-AMINO-4-METHYLPENTAN-2-YL]-3-(PYRIDIN-3-YL)-4H,5H,6H,7H-THIENO[2,3-C]PYRIDIN-7-ONE | | Descriptor: | 6-[(2R)-1-amino-4-methylpentan-2-yl]-3-(pyridin-3-yl)-5,6-dihydrothieno[2,3-c]pyridin-7(4H)-one, Deoxyhypusine synthase | | Authors: | Klein, M.G, Ambrus-Aikelin, G. | | Deposit date: | 2020-04-18 | | Release date: | 2020-08-19 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | New Series of Potent Allosteric Inhibitors of Deoxyhypusine Synthase.
Acs Med.Chem.Lett., 11, 2020
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6WM2
 | | Human V-ATPase in state 1 with SidK and ADP | | Descriptor: | (2~{S})-2-$l^{4}-azanyl-3-[[(2~{R})-3-octadecanoyloxy-2-oxidanyl-propoxy]-oxidanyl-oxidanylidene-$l^{6}-phosphanyl]oxy-propanoic acid, 1,2-DICAPROYL-SN-PHOSPHATIDYL-L-SERINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Wang, L, Wu, H, Fu, T.M. | | Deposit date: | 2020-04-20 | | Release date: | 2020-11-11 | | Last modified: | 2020-11-25 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structures of a Complete Human V-ATPase Reveal Mechanisms of Its Assembly.
Mol.Cell, 80, 2020
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7SNM
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8T0J
 | | Salmonella Typhimurium ArnD | | Descriptor: | Probable 4-deoxy-4-formamido-L-arabinose-phosphoundecaprenol deformylase ArnD | | Authors: | Sousa, M.C, Munoz-Escudero, D, Lee, M. | | Deposit date: | 2023-06-01 | | Release date: | 2023-10-18 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.59 Å) | | Cite: | Structure and Function of ArnD. A Deformylase Essential for Lipid A Modification with 4-Amino-4-deoxy-l-arabinose and Polymyxin Resistance.
Biochemistry, 62, 2023
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8H0M
 | | Crystal structure of VioD | | Descriptor: | (2S)-2-ethylhexan-1-ol, FLAVIN-ADENINE DINUCLEOTIDE, FORMIC ACID, ... | | Authors: | Xu, M, Ran, T, Wang, W. | | Deposit date: | 2022-09-29 | | Release date: | 2023-04-12 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.702 Å) | | Cite: | Structural basis for substrate binding and catalytic mechanism of the key enzyme VioD in the violacein synthesis pathway.
Proteins, 91, 2023
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8DSZ
 | | PPARg bound to partial agonist H3B-487 | | Descriptor: | (2R)-2-{5-[(5-{[(1R)-1-(4-tert-butylphenyl)ethyl]carbamoyl}-2,3-dimethyl-1H-indol-1-yl)methyl]-2-chlorophenoxy}propanoic acid, Peroxisome proliferator-activated receptor gamma | | Authors: | Larsen, N.A. | | Deposit date: | 2022-07-24 | | Release date: | 2022-09-07 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Biochemical and structural basis for the pharmacological inhibition of nuclear hormone receptor PPAR gamma by inverse agonists.
J.Biol.Chem., 298, 2022
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7T2S
 | | Structure of E. coli upec-117 Cap18 3'-5' exonuclease | | Descriptor: | 3'-5' exonuclease, ACETATE ION | | Authors: | Liang, Q, Richey, S.T, Ye, Q, Lau, R.K, Corbett, K.D. | | Deposit date: | 2021-12-06 | | Release date: | 2022-07-20 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Structure and activity of a bacterial defense-associated 3'-5' exonuclease.
Protein Sci., 31, 2022
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7T4G
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7TDQ
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8TFN
 | | Structure of anti-TCRvbeta6-5 antibody in complex with the cognate TCR | | Descriptor: | Anti-TCRVb6-5 Fab heavy chain, Anti-TCRVb6-5 Fab light chain, TRAV12-3, ... | | Authors: | Katragadda, M, Servatalab, R, Wirth, J. | | Deposit date: | 2023-07-11 | | Release date: | 2023-11-08 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.54 Å) | | Cite: | Innate TCR beta-chain engagement drives human T cells toward distinct memory-like effector phenotypes with immunotherapeutic potentials.
Sci Adv, 9, 2023
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