3LPJ
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![BU of 3lpj by Molmil](/molmil-images/mine/3lpj) | Structure of BACE Bound to SCH743641 | Descriptor: | Beta-secretase 1, L(+)-TARTARIC ACID, N'-[(1S,2S)-2-[(2R)-4-benzylpiperazin-2-yl]-1-(3,5-difluorobenzyl)-2-hydroxyethyl]-5-methyl-N,N-dipropylbenzene-1,3-dicarboxamide | Authors: | Strickland, C, Cumming, J. | Deposit date: | 2010-02-05 | Release date: | 2010-04-14 | Last modified: | 2017-11-01 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Piperazine sulfonamide BACE1 inhibitors: design, synthesis, and in vivo characterization. Bioorg.Med.Chem.Lett., 20, 2010
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6UD7
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![BU of 6ud7 by Molmil](/molmil-images/mine/6ud7) | Crystal structure of full-length human DCAF15-DDB1(deltaBPB)-DDA1-RBM39 in complex with indisulam | Descriptor: | DDB1- and CUL4-associated factor 15, DET1- and DDB1-associated protein 1, DNA damage-binding protein 1,DNA damage-binding protein 1, ... | Authors: | Bussiere, D.E, Shu, W, Xie, L, Knapp, M. | Deposit date: | 2019-09-18 | Release date: | 2019-12-18 | Last modified: | 2020-01-22 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural basis of indisulam-mediated RBM39 recruitment to DCAF15 E3 ligase complex. Nat.Chem.Biol., 16, 2020
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6U99
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![BU of 6u99 by Molmil](/molmil-images/mine/6u99) | Hsp90a NTD covalently bound to sulfonyl fluoride probe 1 at K58 | Descriptor: | 3-{[(3-{6-amino-8-[(6-iodo-2H-1,3-benzodioxol-5-yl)sulfanyl]-9H-purin-9-yl}propyl)amino]methyl}benzene-1-sulfinic acid, Heat shock protein HSP 90-alpha | Authors: | Cuesta, A, Wan, X, Taunton, J. | Deposit date: | 2019-09-06 | Release date: | 2020-02-19 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Ligand Conformational Bias Drives Enantioselective Modification of a Surface-Exposed Lysine on Hsp90. J.Am.Chem.Soc., 142, 2020
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6U6C
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![BU of 6u6c by Molmil](/molmil-images/mine/6u6c) | Crystal structure of tryptophan synthase from M. tuberculosis - aminoacrylate- and GSK2-bound form | Descriptor: | 1,2-ETHANEDIOL, 1-(2-fluorobenzene-1-carbonyl)-N-methyl-2,3-dihydro-1H-indole-5-sulfonamide, 2-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)AMINO]ACRYLIC ACID, ... | Authors: | Chang, C, Michalska, K, Maltseva, N.I, Jedrzejczak, R, McCarren, P, Nag, P.P, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2019-08-29 | Release date: | 2020-09-02 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.402 Å) | Cite: | Allosteric inhibitors of Mycobacterium tuberculosis tryptophan synthase. Protein Sci., 29, 2020
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6U5M
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![BU of 6u5m by Molmil](/molmil-images/mine/6u5m) | |
5FU8
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![BU of 5fu8 by Molmil](/molmil-images/mine/5fu8) | Pseudomonas aeruginosa RmlA in complex with allosteric inhibitor | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFERASE, ... | Authors: | Alphey, M.S, Tran, F, Westwood, N.J, Naismith, J.H. | Deposit date: | 2016-01-21 | Release date: | 2017-02-22 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Allosteric Competitive Inhibitors of the Glucose-1-Phosphate Thymidylyltransferase (Rmla) from Pseudomonas Aeruginosa. To be Published
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5FOR
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![BU of 5for by Molmil](/molmil-images/mine/5for) | Cryptic TIR | Descriptor: | 5-amino-2,4,6-triiodobenzene-1,3-dicarboxylic acid, PENTAETHYLENE GLYCOL, PHOSPHOINOSITIDE 3-KINASE ADAPTER PROTEIN 1 | Authors: | Halabi, S, Gay, N.J, Moncrieffe, M.C. | Deposit date: | 2015-11-25 | Release date: | 2016-12-07 | Last modified: | 2017-03-01 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure of the Toll/Interleukin-1 Receptor (TIR) Domain of the B-cell Adaptor That Links Phosphoinositide Metabolism with the Negative Regulation of the Toll-like Receptor (TLR) Signalosome. J. Biol. Chem., 292, 2017
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7M6F
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![BU of 7m6f by Molmil](/molmil-images/mine/7m6f) | |
7M6G
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![BU of 7m6g by Molmil](/molmil-images/mine/7m6g) | |
7M6I
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![BU of 7m6i by Molmil](/molmil-images/mine/7m6i) | |
7M6E
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![BU of 7m6e by Molmil](/molmil-images/mine/7m6e) | |
7M6H
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![BU of 7m6h by Molmil](/molmil-images/mine/7m6h) | |
7M6D
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![BU of 7m6d by Molmil](/molmil-images/mine/7m6d) | |
5FYE
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![BU of 5fye by Molmil](/molmil-images/mine/5fye) | Pseudomonas aeruginosa RmlA in complex with allosteric inhibitor | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFERASE, ... | Authors: | Alphey, M.S, Tran, F, Westwood, N.J, Naismith, J.H. | Deposit date: | 2016-03-07 | Release date: | 2017-03-22 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Allosteric Competitive Inhibitors of the Glucose-1-Phosphate Thymidylyltransferase (Rmla) from Pseudomonas Aeruginosa. To be Published
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5FNT
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![BU of 5fnt by Molmil](/molmil-images/mine/5fnt) | Structure of the Keap1 Kelch domain in complex with a small molecule inhibitor. | Descriptor: | (3S)-3-{4-Chloro-3-[(N-methylbenzenesulfonamido) methyl]phenyl}-3-(1-methyl-1H-1,2,3-benzotriazol-5-yl)propanoic acid, CHLORIDE ION, KELCH-LIKE ECH-ASSOCIATED PROTEIN 1 | Authors: | Davies, T.G, Wixted, W.E, Coyle, J.E, Griffiths-Jones, C, Hearn, K, McMenamin, R, Norton, D, Rich, S.J, Richardson, C, Saxty, G, Willems, H.M.G, Woolford, A.J, Cottom, J.E, Kou, J, Yonchuk, J.G, Feldser, H.G, Sanchez, Y, Foley, J.P, Bolognese, B.J, Logan, G, Podolin, P.L, Yan, H, Callahan, J.F, Heightman, T.D, Kerns, J.K. | Deposit date: | 2015-11-16 | Release date: | 2016-04-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Mono-Acidic Inhibitors of the Kelch-Like Ech-Associated Protein 1 : Nuclear Factor Erythroid 2-Related Factor 2 (Keap1:Nrf2) Protein-Protein Interaction with High Cell Potency Identified by Fragment-Based Discovery. J.Med.Chem., 59, 2016
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6U6W
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![BU of 6u6w by Molmil](/molmil-images/mine/6u6w) | |
6U9A
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![BU of 6u9a by Molmil](/molmil-images/mine/6u9a) | Hsp90a NTD K58R bound reversibly to sulfonyl fluoride 5 | Descriptor: | 3-{[(3S)-3-({6-amino-8-[(6-iodo-2H-1,3-benzodioxol-5-yl)sulfanyl]-9H-purin-9-yl}methyl)piperidin-1-yl]methyl}benzene-1-sulfonyl fluoride, Heat shock protein HSP 90-alpha | Authors: | Cuesta, A, Wan, X, Taunton, J. | Deposit date: | 2019-09-07 | Release date: | 2020-02-19 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Ligand Conformational Bias Drives Enantioselective Modification of a Surface-Exposed Lysine on Hsp90. J.Am.Chem.Soc., 142, 2020
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6U8O
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6SW9
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![BU of 6sw9 by Molmil](/molmil-images/mine/6sw9) | IC2A model of cryo-EM structure of a full archaeal ribosomal translation initiation complex devoid of aIF1 in P. abyssi | Descriptor: | 16S ribosomal RNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ... | Authors: | Coureux, P.-D, Mechulam, Y, Schmitt, E. | Deposit date: | 2019-09-20 | Release date: | 2020-02-19 | Last modified: | 2024-04-24 | Method: | ELECTRON MICROSCOPY (4.2 Å) | Cite: | Cryo-EM study of an archaeal 30S initiation complex gives insights into evolution of translation initiation. Commun Biol, 3, 2020
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5I3A
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![BU of 5i3a by Molmil](/molmil-images/mine/5i3a) | Crystal Structure of tyrosinase from Bacillus megaterium with configuration A of hydroquinone inhibitor in the active site | Descriptor: | Tyrosinase, ZINC ION, benzene-1,4-diol | Authors: | Kanteev, M, Deri, B, Adir, N, Fishman, A. | Deposit date: | 2016-02-10 | Release date: | 2016-10-12 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The unravelling of the complex pattern of tyrosinase inhibition. Sci Rep, 6, 2016
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5I13
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![BU of 5i13 by Molmil](/molmil-images/mine/5i13) | Endonuclease inhibitor 2 bound to influenza strain H1N1 polymerase acidic subunit N-terminal region at pH 7.0 | Descriptor: | 4-{(E)-[2-(4-chlorophenyl)hydrazinylidene]methyl}benzene-1,2,3-triol, MANGANESE (II) ION, Polymerase acidic protein, ... | Authors: | Fudo, S, Yamamoto, N, Nukaga, M, Odagiri, T, Tashiro, M, Hoshino, T. | Deposit date: | 2016-02-05 | Release date: | 2016-02-17 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.151 Å) | Cite: | Two Distinctive Binding Modes of Endonuclease Inhibitors to the N-Terminal Region of Influenza Virus Polymerase Acidic Subunit Biochemistry, 55, 2016
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5I3B
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![BU of 5i3b by Molmil](/molmil-images/mine/5i3b) | Crystal Structure of tyrosinase from Bacillus megaterium with configuration B of hydroquinone inhibitor in the active site | Descriptor: | Tyrosinase, ZINC ION, benzene-1,4-diol | Authors: | Kanteev, M, Deri, B, Adir, N, Fishman, A. | Deposit date: | 2016-02-10 | Release date: | 2016-10-12 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The unravelling of the complex pattern of tyrosinase inhibition. Sci Rep, 6, 2016
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6SWD
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![BU of 6swd by Molmil](/molmil-images/mine/6swd) | IC2 body model of cryo-EM structure of a full archaeal ribosomal translation initiation complex devoid of aIF1 in P. abyssi | Descriptor: | 16S ribosomal RNA, 30S ribosomal protein S11, 30S ribosomal protein S12, ... | Authors: | Coureux, P.-D, Mechulam, Y, Schmitt, E. | Deposit date: | 2019-09-20 | Release date: | 2020-02-19 | Last modified: | 2024-04-24 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Cryo-EM study of an archaeal 30S initiation complex gives insights into evolution of translation initiation. Commun Biol, 3, 2020
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5FTS
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![BU of 5fts by Molmil](/molmil-images/mine/5fts) | Pseudomonas aeruginosa RmlA in complex with allosteric inhibitor | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFERASE, ... | Authors: | Alphey, M.S, Tran, F, Westwood, N.J, Naismith, J.H. | Deposit date: | 2016-01-14 | Release date: | 2017-02-22 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Allosteric Competitive Inhibitors of the Glucose-1-Phosphate Thymidylyltransferase (Rmla) from Pseudomonas Aeruginosa. To be Published
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6T37
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![BU of 6t37 by Molmil](/molmil-images/mine/6t37) | Pseudomonas aeruginosa RmlA in complex with allosteric inhibitor | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, Glucose-1-phosphate thymidylyltransferase, ... | Authors: | Alphey, M.S, Xiao, G, Westwood, J.N. | Deposit date: | 2019-10-10 | Release date: | 2020-08-19 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.079 Å) | Cite: | Next generation Glucose-1-phosphate thymidylyltransferase (RmlA) inhibitors: An extended SAR study to direct future design. Bioorg.Med.Chem., 50, 2021
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