7Q63
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![BU of 7q63 by Molmil](/molmil-images/mine/7q63) | The tandem SH2 domains of SYK | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Bradshaw, W.J, Katis, V.L, Chen, Z, Bountra, C, von Delft, F, Gileadi, O, Brennan, P.E. | Deposit date: | 2021-11-05 | Release date: | 2021-11-24 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The tandem SH2 domains of SYK To Be Published
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7Q5T
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![BU of 7q5t by Molmil](/molmil-images/mine/7q5t) | The tandem SH2 domains of SYK with a bound FCER1G diphospho-ITAM peptide | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, High affinity immunoglobulin epsilon receptor subunit gamma, ... | Authors: | Bradshaw, W.J, Katis, V.L, Chen, Z, Bountra, C, von Delft, F, Gileadi, O, Brennan, P.E. | Deposit date: | 2021-11-04 | Release date: | 2021-11-24 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The tandem SH2 domains of SYK To Be Published
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7Q5W
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![BU of 7q5w by Molmil](/molmil-images/mine/7q5w) | The tandem SH2 domains of SYK with a bound TYROBP diphospho-ITAM peptide | Descriptor: | 1,2-ETHANEDIOL, 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, DI(HYDROXYETHYL)ETHER, ... | Authors: | Bradshaw, W.J, Katis, V.L, Chen, Z, Bountra, C, von Delft, F, Gileadi, O, Brennan, P.E. | Deposit date: | 2021-11-04 | Release date: | 2021-11-24 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The tandem SH2 domains of SYK To Be Published
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7Q5U
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![BU of 7q5u by Molmil](/molmil-images/mine/7q5u) | The tandem SH2 domains of SYK with a bound CD3G diphospho-ITAM peptide | Descriptor: | 1,2-ETHANEDIOL, 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, DI(HYDROXYETHYL)ETHER, ... | Authors: | Bradshaw, W.J, Katis, V.L, Chen, Z, Bountra, C, von Delft, F, Gileadi, O, Brennan, P.E. | Deposit date: | 2021-11-04 | Release date: | 2021-11-24 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | The tandem SH2 domains of SYK To Be Published
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6PXM
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![BU of 6pxm by Molmil](/molmil-images/mine/6pxm) | Horse spleen apoferritin light chain | Descriptor: | Ferritin light chain | Authors: | Kopylov, M, Kelley, K, Yen, L.Y, Rice, W.J, Eng, E.T, Carragher, B, Potter, C.S. | Deposit date: | 2019-07-26 | Release date: | 2019-08-07 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (2.1 Å) | Cite: | Horse spleen apoferritin light chain structure at 2.1 Angstrom resolution To Be Published
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4E59
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![BU of 4e59 by Molmil](/molmil-images/mine/4e59) | |
4EO8
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![BU of 4eo8 by Molmil](/molmil-images/mine/4eo8) | HCV NS5B polymerase inhibitors: Tri-substituted acylhydrazines as tertiary amide bioisosteres | Descriptor: | 5-(3,3-dimethylbut-1-yn-1-yl)-3-{2,2-dimethyl-1-[(trans-4-methylcyclohexyl)carbonyl]hydrazinyl}thiophene-2-carboxylic acid, RNA-directed RNA polymerase | Authors: | Appleby, T.C, Canales, E, Watkins, W.J. | Deposit date: | 2012-04-13 | Release date: | 2012-06-27 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.798 Å) | Cite: | Tri-substituted acylhydrazines as tertiary amide bioisosteres: HCV NS5B polymerase inhibitors. Bioorg.Med.Chem.Lett., 22, 2012
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3GTA
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![BU of 3gta by Molmil](/molmil-images/mine/3gta) | Structure of an ML-IAP/XIAP chimera bound to a peptidomimetic | Descriptor: | 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Baculoviral IAP repeat-containing 7, ... | Authors: | Franklin, M.C, Fairbrother, W.J, Cohen, F. | Deposit date: | 2009-03-27 | Release date: | 2010-03-09 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Antagonists of inhibitor of apoptosis proteins based on thiazole amide isosteres. Bioorg.Med.Chem.Lett., 20, 2010
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3GT9
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![BU of 3gt9 by Molmil](/molmil-images/mine/3gt9) | Structure of an ML-IAP/XIAP chimera bound to a peptidomimetic | Descriptor: | Baculoviral IAP repeat-containing 7, N-{(1S)-1-cyclohexyl-2-[(2S)-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl}-N~2~-methyl-L-alaninamide, ZINC ION | Authors: | Franklin, M.C, Fairbrother, W.J, Cohen, F. | Deposit date: | 2009-03-27 | Release date: | 2010-03-09 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Antagonists of inhibitor of apoptosis proteins based on thiazole amide isosteres. Bioorg.Med.Chem.Lett., 20, 2010
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8CIS
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![BU of 8cis by Molmil](/molmil-images/mine/8cis) | The FERM domain of human moesin with two bound peptides identified by phage display | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, C3P, ... | Authors: | Bradshaw, W.J, Katis, V.L, Leisner, T.M, Fairhead, M, Bountra, C, von Delft, F, Pearce, K.H, Brennan, P.E. | Deposit date: | 2023-02-10 | Release date: | 2023-03-01 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Discovery of FERM domain protein-protein interaction inhibitors for MSN and CD44 as a potential therapeutic approach for Alzheimer's disease. J.Biol.Chem., 299, 2023
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8CIU
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![BU of 8ciu by Molmil](/molmil-images/mine/8ciu) | The FERM domain of human moesin mutant H288A | Descriptor: | Moesin | Authors: | Bradshaw, W.J, Katis, V.L, Koekemoer, L, Bountra, C, von Delft, F, Brennan, P.E. | Deposit date: | 2023-02-10 | Release date: | 2023-03-01 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.393 Å) | Cite: | Discovery of FERM domain protein-protein interaction inhibitors for MSN and CD44 as a potential therapeutic approach for Alzheimer's disease. J.Biol.Chem., 299, 2023
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8CIT
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![BU of 8cit by Molmil](/molmil-images/mine/8cit) | The FERM domain of human moesin mutant L281R | Descriptor: | Moesin | Authors: | Bradshaw, W.J, Katis, V.L, Koekemoer, L, Bountra, C, von Delft, F, Brennan, P.E. | Deposit date: | 2023-02-10 | Release date: | 2023-03-01 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.536 Å) | Cite: | Discovery of FERM domain protein-protein interaction inhibitors for MSN and CD44 as a potential therapeutic approach for Alzheimer's disease. J.Biol.Chem., 299, 2023
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8CIR
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![BU of 8cir by Molmil](/molmil-images/mine/8cir) | The FERM domain of human moesin with a bound peptide identified by phage display | Descriptor: | 1,2-ETHANEDIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BROMIDE ION, ... | Authors: | Bradshaw, W.J, Katis, V.L, Leisner, T.M, Fairhead, M, Bountra, C, von Delft, F, Pearce, K.H, Brennan, P.E. | Deposit date: | 2023-02-10 | Release date: | 2023-03-01 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Discovery of FERM domain protein-protein interaction inhibitors for MSN and CD44 as a potential therapeutic approach for Alzheimer's disease. J.Biol.Chem., 299, 2023
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8CIA
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![BU of 8cia by Molmil](/molmil-images/mine/8cia) | |
5J6A
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![BU of 5j6a by Molmil](/molmil-images/mine/5j6a) | Crystal structure of pyruvate dehydrogenase kinase isoform 2 in complex with inhibitor PS46 | Descriptor: | (3S)-3-amino-4-[4-({2-[(2,4-dihydroxyphenyl)sulfonyl]-2H-isoindol-5-yl}amino)piperidin-1-yl]-4-oxobutanamide, [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial | Authors: | Gui, W.J, Tso, S.C, Chuang, J.L, Wu, C.Y, Qi, X, Wynn, R.M, Chuang, D.T. | Deposit date: | 2016-04-04 | Release date: | 2017-01-25 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.045 Å) | Cite: | Development of Dihydroxyphenyl Sulfonylisoindoline Derivatives as Liver-Targeting Pyruvate Dehydrogenase Kinase Inhibitors. J. Med. Chem., 60, 2017
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8BLU
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![BU of 8blu by Molmil](/molmil-images/mine/8blu) | The PDZ domains of human SDCBP | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ALANINE, ... | Authors: | Bradshaw, W.J, Katis, V.L, Daniel-Mozo, M, Bountra, C, von Delft, F, Brennan, P.E. | Deposit date: | 2022-11-10 | Release date: | 2022-11-30 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | The PDZ domains of human SDCBP To Be Published
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8BNT
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![BU of 8bnt by Molmil](/molmil-images/mine/8bnt) | The DH domain of ARHGEF2 bound to RhoA | Descriptor: | DIMETHYL SULFOXIDE, FORMIC ACID, Rho guanine nucleotide exchange factor 2, ... | Authors: | Bradshaw, W.J, Katis, V.L, Grosjean, H, Bountra, C, von Delft, F, Brennan, P.E. | Deposit date: | 2022-11-25 | Release date: | 2022-12-07 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | The DH domain of ARHGEF2 bound to RhoA To Be Published
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8BW4
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![BU of 8bw4 by Molmil](/molmil-images/mine/8bw4) | PanDDA analysis -- Crystal Structure of PHIP in complex with Z198194396 synthetic derivative | Descriptor: | (2R)-4-(3-fluoranylthiophen-2-yl)carbonyl-N-(4-methoxyphenyl)-2-methyl-piperazine-1-carboxamide, PH-interacting protein | Authors: | Grosjean, H, Aimon, A, Hassell-Hart, S, Bradshaw, W.J, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Biggin, P.C, Spencer, J, von Delft, F. | Deposit date: | 2022-12-06 | Release date: | 2022-12-21 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | PanDDA analysis -- Crystal Structure of PHIP in complex with Z198194396 synthetic derivative To Be Published
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8BLV
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![BU of 8blv by Molmil](/molmil-images/mine/8blv) | The PDZ domains of human SDCBP with a bound SDC4 C-terminal peptide | Descriptor: | 1,2-ETHANEDIOL, SULFATE ION, Syndecan-4, ... | Authors: | Bradshaw, W.J, Katis, V.L, Daniel-Mozo, M, Bountra, C, von Delft, F, Brennan, P.E. | Deposit date: | 2022-11-10 | Release date: | 2022-12-21 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | The PDZ domains of human SDCBP with a bound SDC4 C-terminal peptide To Be Published
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8BW3
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![BU of 8bw3 by Molmil](/molmil-images/mine/8bw3) | PanDDA analysis -- Crystal Structure of PHIP in complex with Z198194396 synthetic derivative | Descriptor: | (2S)-N-(cyclopropylmethyl)-2-methyl-4-(1-methyl-1H-pyrrole-2-carbonyl)piperazine-1-carboxamide, PH-interacting protein | Authors: | Grosjean, H, Aimon, A, Hassell-Hart, S, Bradshaw, W.J, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Biggin, P.C, Spencer, J, von Delft, F. | Deposit date: | 2022-12-06 | Release date: | 2022-12-21 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | PanDDA analysis -- Crystal Structure of PHIP in complex with Z198194396 synthetic derivative To Be Published
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8BW2
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![BU of 8bw2 by Molmil](/molmil-images/mine/8bw2) | PanDDA analysis -- Crystal Structure of PHIP in complex with Z198194396 synthetic derivative | Descriptor: | (2R)-N-(2-methoxyethyl)-2-methyl-4-thiophen-2-ylcarbonyl-piperazine-1-carboxamide, PH-interacting protein | Authors: | Grosjean, H, Aimon, A, Hassell-Hart, S, Bradshaw, W.J, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Biggin, P.C, Spencer, J, von Delft, F. | Deposit date: | 2022-12-06 | Release date: | 2022-12-21 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | PanDDA analysis -- Crystal Structure of PHIP in complex with Z198194396 synthetic derivative To Be Published
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6E26
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![BU of 6e26 by Molmil](/molmil-images/mine/6e26) | |
6E25
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![BU of 6e25 by Molmil](/molmil-images/mine/6e25) | |
1A03
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![BU of 1a03 by Molmil](/molmil-images/mine/1a03) | THE THREE-DIMENSIONAL STRUCTURE OF CA2+-BOUND CALCYCLIN: IMPLICATIONS FOR CA2+-SIGNAL TRANSDUCTION BY S100 PROTEINS, NMR, 20 STRUCTURES | Descriptor: | CALCYCLIN (RABBIT, CA2+) | Authors: | Sastry, M, Ketchem, R.R, Crescenzi, O, Weber, C, Lubienski, M.J, Hidaka, H, Chazin, W.J. | Deposit date: | 1997-12-08 | Release date: | 1999-03-02 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | The three-dimensional structure of Ca(2+)-bound calcyclin: implications for Ca(2+)-signal transduction by S100 proteins. Structure, 6, 1998
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1VKL
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![BU of 1vkl by Molmil](/molmil-images/mine/1vkl) | RABBIT MUSCLE PHOSPHOGLUCOMUTASE | Descriptor: | NICKEL (II) ION, PHOSPHOGLUCOMUTASE | Authors: | Ray Junior, W.J, Baranidharan, S, Liu, Y. | Deposit date: | 1996-07-03 | Release date: | 1997-01-11 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural changes at the metal ion binding site during the phosphoglucomutase reaction. Biochemistry, 32, 1993
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