8DYH
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![BU of 8dyh by Molmil](/molmil-images/mine/8dyh) | IL17A homodimer bound to Compound 6 | Descriptor: | (5P)-N-benzyl-6-chloro-5-(quinolin-5-yl)pyridin-3-amine, GLYCEROL, Interleukin-17A | Authors: | Argiriadi, M.A, Goedken, E.R. | Deposit date: | 2022-08-04 | Release date: | 2022-09-07 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Identification and structure-based drug design of cell-active inhibitors of interleukin 17A at a novel C-terminal site. Sci Rep, 12, 2022
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8BAC
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![BU of 8bac by Molmil](/molmil-images/mine/8bac) | Crystal structure of human heparanase in complex with competitive inhibitor GD05 | Descriptor: | (3S,4R,5R)-4,5-dihydroxypiperidine-3-carboxylic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Armstrong, Z, Davies, G.J. | Deposit date: | 2022-10-11 | Release date: | 2023-03-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Synthesis of Uronic Acid 1-Azasugars as Putative Inhibitors of alpha-Iduronidase, beta-Glucuronidase and Heparanase. Chembiochem, 24, 2023
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8DYI
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![BU of 8dyi by Molmil](/molmil-images/mine/8dyi) | IL17A homodimer bound to Compound 5 | Descriptor: | (5P)-5-[5-(benzylamino)pyridin-3-yl]-N-[2-(morpholin-4-yl)ethyl]-1H-indazol-3-amine, Interleukin-17A | Authors: | Argiriadi, M.A, Goedken, E.R. | Deposit date: | 2022-08-04 | Release date: | 2022-09-07 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Identification and structure-based drug design of cell-active inhibitors of interleukin 17A at a novel C-terminal site. Sci Rep, 12, 2022
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8DYF
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![BU of 8dyf by Molmil](/molmil-images/mine/8dyf) | IL17A homodimer bound to Compound 10 | Descriptor: | (5M)-3-[({2-[2-(2-{2-[2-({[(5M)-3-carboxy-5-(5,8-dihydroquinolin-4-yl)phenyl]amino}methyl)phenoxy]ethoxy}ethoxy)ethoxy]phenyl}methyl)amino]-5-(quinolin-4-yl)benzoic acid, Interleukin-17A | Authors: | Argiriadi, M.A, Goedken, E.R. | Deposit date: | 2022-08-04 | Release date: | 2022-09-07 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Identification and structure-based drug design of cell-active inhibitors of interleukin 17A at a novel C-terminal site. Sci Rep, 12, 2022
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8TNO
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![BU of 8tno by Molmil](/molmil-images/mine/8tno) | |
8TNM
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![BU of 8tnm by Molmil](/molmil-images/mine/8tnm) | |
4IOU
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![BU of 4iou by Molmil](/molmil-images/mine/4iou) | |
2FIL
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![BU of 2fil by Molmil](/molmil-images/mine/2fil) | |
8USR
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![BU of 8usr by Molmil](/molmil-images/mine/8usr) | IL17A homodimer complexed to Compound 23 | Descriptor: | Interleukin-17A, ~{N}-[(2~{S})-1-[[(1~{S})-1-(8~{a}~{H}-imidazo[1,2-a]pyrimidin-2-yl)ethyl]amino]-1-oxidanylidene-4-phenyl-butan-2-yl]-4,5-bis(chloranyl)-1~{H}-pyrrole-2-carboxamide | Authors: | Argiriadi, M.A, Ramos, A.L. | Deposit date: | 2023-10-29 | Release date: | 2024-04-03 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Discovery of Small Molecule Interleukin 17A Inhibitors with Novel Binding Mode and Stoichiometry: Optimization of DNA-Encoded Chemical Library Hits to In Vivo Active Compounds. J.Med.Chem., 67, 2024
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8P7G
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![BU of 8p7g by Molmil](/molmil-images/mine/8p7g) | |
8DYG
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![BU of 8dyg by Molmil](/molmil-images/mine/8dyg) | IL17A homodimer bound to Compound 7 | Descriptor: | (5P)-2-hydroxy-5-(6-methylquinolin-5-yl)benzoic acid, Interleukin-17A | Authors: | Argiriadi, M.A, Goedken, E.R. | Deposit date: | 2022-08-04 | Release date: | 2022-09-07 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Identification and structure-based drug design of cell-active inhibitors of interleukin 17A at a novel C-terminal site. Sci Rep, 12, 2022
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8CVT
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![BU of 8cvt by Molmil](/molmil-images/mine/8cvt) | Human 19S-20S proteasome, state SD2 | Descriptor: | 26S protease regulatory subunit 10B, 26S protease regulatory subunit 8, 26S proteasome complex subunit SEM1, ... | Authors: | Zhao, J. | Deposit date: | 2022-05-18 | Release date: | 2022-11-02 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structural insights into the human PA28-20S proteasome enabled by efficient tagging and purification of endogenous proteins. Proc.Natl.Acad.Sci.USA, 119, 2022
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8CVR
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![BU of 8cvr by Molmil](/molmil-images/mine/8cvr) | Human 20S proteasome with MG-132 | Descriptor: | N-[(benzyloxy)carbonyl]-L-leucyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]-L-leucinamide, Proteasome subunit alpha type-1, Proteasome subunit alpha type-2, ... | Authors: | Zhao, J. | Deposit date: | 2022-05-18 | Release date: | 2022-11-02 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Structural insights into the human PA28-20S proteasome enabled by efficient tagging and purification of endogenous proteins. Proc.Natl.Acad.Sci.USA, 119, 2022
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8CVS
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![BU of 8cvs by Molmil](/molmil-images/mine/8cvs) | Human PA200-20S proteasome with MG-132 | Descriptor: | INOSITOL HEXAKISPHOSPHATE, N-[(benzyloxy)carbonyl]-L-leucyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]-L-leucinamide, Proteasome activator complex subunit 4, ... | Authors: | Zhao, J. | Deposit date: | 2022-05-18 | Release date: | 2022-11-02 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structural insights into the human PA28-20S proteasome enabled by efficient tagging and purification of endogenous proteins. Proc.Natl.Acad.Sci.USA, 119, 2022
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8CXB
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![BU of 8cxb by Molmil](/molmil-images/mine/8cxb) | Human PA28-20S (PA28-4a3b) | Descriptor: | Proteasome activator complex subunit 1, Proteasome activator complex subunit 2, Proteasome subunit alpha type-1, ... | Authors: | Zhao, J, Makhija, S, Huang, B, Cheng, Y. | Deposit date: | 2022-05-20 | Release date: | 2022-11-02 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Structural insights into the human PA28-20S proteasome enabled by efficient tagging and purification of endogenous proteins. Proc.Natl.Acad.Sci.USA, 119, 2022
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8USS
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![BU of 8uss by Molmil](/molmil-images/mine/8uss) | IL17A complexed to Compound 7 | Descriptor: | 4,5-dichloro-N-[(1S)-1-cyclohexyl-2-{[(3S)-5-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl]amino}-2-oxoethyl]-1H-pyrrole-2-carboxamide, CHLORIDE ION, Interleukin-17A | Authors: | Argiriadi, M.A, Ramos, A.L. | Deposit date: | 2023-10-29 | Release date: | 2024-04-03 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Discovery of Small Molecule Interleukin 17A Inhibitors with Novel Binding Mode and Stoichiometry: Optimization of DNA-Encoded Chemical Library Hits to In Vivo Active Compounds. J.Med.Chem., 67, 2024
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2FIH
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![BU of 2fih by Molmil](/molmil-images/mine/2fih) | |
2HD3
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![BU of 2hd3 by Molmil](/molmil-images/mine/2hd3) | Crystal Structure of the Ethanolamine Utilization Protein EutN from Escherichia coli, NESG Target ER316 | Descriptor: | Ethanolamine utilization protein eutN | Authors: | Forouhar, F, Zhang, W, Jayaraman, S, Zhao, L, Jiang, M, Cunningham, K, Ma, L.-C, Xiao, R, Liu, J, Baran, M, Swapna, G.V.T, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2006-06-19 | Release date: | 2006-08-15 | Last modified: | 2018-01-24 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Functional insights from structural genomics. J.STRUCT.FUNCT.GENOM., 8, 2007
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2FIJ
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![BU of 2fij by Molmil](/molmil-images/mine/2fij) | |
2FII
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![BU of 2fii by Molmil](/molmil-images/mine/2fii) | |
3V4J
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![BU of 3v4j by Molmil](/molmil-images/mine/3v4j) | First-In-Class Small Molecule Inhibitors of the Single-strand DNA Cytosine Deaminase APOBEC3G | Descriptor: | 4-[methyl(nitroso)amino]benzene-1,2-diol, DNA dC->dU-editing enzyme APOBEC-3G, ZINC ION | Authors: | Shandilya, S.M.D, Ali, A, Schiffer, C.A. | Deposit date: | 2011-12-15 | Release date: | 2012-02-01 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | First-In-Class Small Molecule Inhibitors of the Single-Strand DNA Cytosine Deaminase APOBEC3G. Acs Chem.Biol., 7, 2012
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3ZQC
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![BU of 3zqc by Molmil](/molmil-images/mine/3zqc) | Structure of the Trichomonas vaginalis Myb3 DNA-binding domain bound to a promoter sequence reveals a unique C-terminal beta-hairpin conformation | Descriptor: | MRE-1, MYB3 | Authors: | Wei, S.-Y, Lou, Y.-C, Tsai, J.-Y, Hsu, H.-M, Tai, J.-H, Hsiao, C.-D, Chen, C. | Deposit date: | 2011-06-09 | Release date: | 2012-04-18 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structure of the Trichomonas Vaginalis Myb3 DNA-Binding Domain Bound to a Promoter Sequence Reveals a Unique C-Terminal Beta-Hairpin Conformation. Nucleic Acids Res., 40, 2012
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3V4K
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![BU of 3v4k by Molmil](/molmil-images/mine/3v4k) | First-In-Class Small Molecule Inhibitors of the Single-strand DNA Cytosine Deaminase APOBEC3G | Descriptor: | CHLORIDE ION, DNA dC->dU-editing enzyme APOBEC-3G, MAGNESIUM ION, ... | Authors: | Shandilya, S.M.D, Ali, A, Schiffer, C.A. | Deposit date: | 2011-12-15 | Release date: | 2012-01-25 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | First-In-Class Small Molecule Inhibitors of the Single-Strand DNA Cytosine Deaminase APOBEC3G. Acs Chem.Biol., 7, 2012
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2HC5
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![BU of 2hc5 by Molmil](/molmil-images/mine/2hc5) | Solution NMR Structure of Protein yvyC from Bacillus subtilis. Northeast Structural Genomics Consortium Target SR482. | Descriptor: | Hypothetical protein yvyC | Authors: | Eletsky, A, Liu, G, Atreya, H.S, Sukumaran, D.K, Wang, D, Cunningham, K, Janjua, H, Ma, L.-C, Xiao, R, Liu, J, Baran, M, Acton, T.B, Rost, B, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2006-06-15 | Release date: | 2006-08-15 | Last modified: | 2024-05-08 | Method: | SOLUTION NMR | Cite: | NMR structure of protein YvyC from Bacillus subtilis reveals unexpected structural similarity between two PFAM families. Proteins, 76, 2009
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2ES7
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![BU of 2es7 by Molmil](/molmil-images/mine/2es7) | Crystal structure of Q8ZP25 from Salmonella typhimurium LT2. NESG TARGET STR70 | Descriptor: | putative thiol-disulfide isomerase and thioredoxin | Authors: | Benach, J, Su, M, Forouhar, F, Chen, Y, Ho, C.K, Janjua, H, Cunningham, K, Ma, L.-C, Rong, X, Liu, J, Baran, M, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2005-10-25 | Release date: | 2005-11-01 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structure of Q8ZP25 from Salmonella typhimurium LT2 NESG target STR70. To be Published
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