3HOP
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![BU of 3hop by Molmil](/molmil-images/mine/3hop) | Structure of the actin-binding domain of human filamin A | Descriptor: | Filamin-A, PHOSPHATE ION | Authors: | Clark, A.R, Sawyer, G.M, Robertson, S.P, Sutherland-Smith, A.J. | Deposit date: | 2009-06-03 | Release date: | 2009-10-13 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Skeletal dysplasias due to filamin A mutations result from a gain-of-function mechanism distinct from allelic neurological disorders Hum.Mol.Genet., 18, 2009
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3UUN
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![BU of 3uun by Molmil](/molmil-images/mine/3uun) | |
3UUL
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![BU of 3uul by Molmil](/molmil-images/mine/3uul) | |
3UUM
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![BU of 3uum by Molmil](/molmil-images/mine/3uum) | |
4B7L
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![BU of 4b7l by Molmil](/molmil-images/mine/4b7l) | |
2WA6
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![BU of 2wa6 by Molmil](/molmil-images/mine/2wa6) | Structure of the W148R mutant of human filamin b actin binding domain at 1.95 Angstrom resolution | Descriptor: | CARBONATE ION, FILAMIN-B | Authors: | Sawyer, G.M, Clark, A.R, Robertson, S.P, Sutherland-Smith, A.J. | Deposit date: | 2009-02-03 | Release date: | 2009-06-23 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Disease-Associated Substitutions in the Filamin B Actin Binding Domain Confer Enhanced Actin Binding Affinity in the Absence of Major Structural Disturbance: Insights from the Crystal Structures of Filamin B Actin Binding Domains. J.Mol.Biol., 390, 2009
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3HK1
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![BU of 3hk1 by Molmil](/molmil-images/mine/3hk1) | Identification and Characterization of a Small Molecule Inhibitor of Fatty Acid Binding Proteins | Descriptor: | 4-{[2-(methoxycarbonyl)-5-(2-thienyl)-3-thienyl]amino}-4-oxo-2-butenoic acid, Fatty acid-binding protein, adipocyte | Authors: | Hertzel, A.V, Hellberg, K, Reynolds, J.M, Kruse, A.C, Juhlmann, B.E, Smith, A.J, Sanders, M.A, Ohlendorf, D.H, Suttles, J, Bernlohr, D.A. | Deposit date: | 2009-05-22 | Release date: | 2009-09-22 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Identification and characterization of a small molecule inhibitor of Fatty Acid binding proteins. J.Med.Chem., 52, 2009
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4OYQ
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![BU of 4oyq by Molmil](/molmil-images/mine/4oyq) | (6-isothiocyanatohexyl)benzene inhibitor complexed with Macrophage Migration Inhibitory Factor | Descriptor: | 6-isothiocyanatohexylbenzene, GLYCEROL, Macrophage migration inhibitory factor, ... | Authors: | Spencer, E.S, Dale, E.J, Gommans, A.L, Vo, C.T, Rutledge, M.T, Nakatani, Y, Gamble, A.B, Smith, R.A.J, Wilbanks, S.M, Hampton, M.B, Tyndall, J.D.A. | Deposit date: | 2014-02-12 | Release date: | 2014-03-05 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | To be published To be published
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8A3G
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![BU of 8a3g by Molmil](/molmil-images/mine/8a3g) | X-ray crystal structure of a de novo designed antiparallel coiled-coil homotetramer with 4 heptad repeats, apCC-Tet* | Descriptor: | ACETATE ION, SODIUM ION, apCC-Tet* | Authors: | Naudin, E.A, Mylemans, B, Albanese, K.I, Woolfson, D.N. | Deposit date: | 2022-06-08 | Release date: | 2022-10-05 | Last modified: | 2022-11-23 | Method: | X-RAY DIFFRACTION (0.96 Å) | Cite: | From peptides to proteins: coiled-coil tetramers to single-chain 4-helix bundles. Chem Sci, 13, 2022
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8A3I
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![BU of 8a3i by Molmil](/molmil-images/mine/8a3i) | X-ray crystal structure of a de novo designed antiparallel coiled-coil homotetramer with 3 heptad repeats, apCC-Tet*3 | Descriptor: | apCC-Tet*3 | Authors: | Naudin, E.A, Mylemans, B, Albanese, K.I, Woolfson, D.N. | Deposit date: | 2022-06-08 | Release date: | 2022-10-05 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | From peptides to proteins: coiled-coil tetramers to single-chain 4-helix bundles. Chem Sci, 13, 2022
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8A3K
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![BU of 8a3k by Molmil](/molmil-images/mine/8a3k) | X-ray crystal structure of a de novo designed single-chain antiparallel 4-helix coiled-coil bundle, sc-apCC-4 | Descriptor: | sc-apCC-4 | Authors: | Albanese, K.I, Mylemans, B, Naudin, E.A, Woolfson, D.N. | Deposit date: | 2022-06-08 | Release date: | 2022-10-05 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | From peptides to proteins: coiled-coil tetramers to single-chain 4-helix bundles. Chem Sci, 13, 2022
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8A3J
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![BU of 8a3j by Molmil](/molmil-images/mine/8a3j) | X-ray crystal structure of a de novo designed antiparallel coiled-coil heterotetramer with 3 heptad repeats, apCC-Tet*3-A2B2 | Descriptor: | apCC-Tet*3-A, apCC-Tet*3-B | Authors: | Naudin, E.A, Mylemans, B, Albanese, K.I, Woolfson, D.N. | Deposit date: | 2022-06-08 | Release date: | 2022-10-05 | Last modified: | 2022-11-23 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | From peptides to proteins: coiled-coil tetramers to single-chain 4-helix bundles. Chem Sci, 13, 2022
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8A3Q
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![BU of 8a3q by Molmil](/molmil-images/mine/8a3q) | Human Plasma Kallekrein in complex with 14W | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, Plasma kallikrein, ... | Authors: | McEwan, P.A. | Deposit date: | 2022-06-08 | Release date: | 2022-11-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.801 Å) | Cite: | Sebetralstat (KVD900): A Potent and Selective Small Molecule Plasma Kallikrein Inhibitor Featuring a Novel P1 Group as a Potential Oral On-Demand Treatment for Hereditary Angioedema. J.Med.Chem., 65, 2022
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3U13
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![BU of 3u13 by Molmil](/molmil-images/mine/3u13) | Crystal Structure of de Novo design of cystein esterase ECH13 at the resolution 1.6A, Northeast Structural Genomics Consortium Target OR51 | Descriptor: | DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, PHOSPHATE ION, ... | Authors: | Kuzin, A, Su, M, Seetharaman, J, Sahdev, S, Xiao, R, Kohan, E, Richter, F, Everett, J.K, Acton, T.B, Baker, D, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2011-09-29 | Release date: | 2011-11-23 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Computational design of catalytic dyads and oxyanion holes for ester hydrolysis. J.Am.Chem.Soc., 134, 2012
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3UAK
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![BU of 3uak by Molmil](/molmil-images/mine/3uak) | Crystal Structure of De Novo designed cysteine esterase ECH14, Northeast Structural Genomics Consortium Target OR54 | Descriptor: | De Novo designed cysteine esterase ECH14 | Authors: | Kuzin, A, Su, M, Seetharaman, J, Sahdev, S, Xiao, R, Ciccosanti, C, Richter, F, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Baker, D, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2011-10-21 | Release date: | 2011-12-07 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (3.232 Å) | Cite: | Computational design of catalytic dyads and oxyanion holes for ester hydrolysis. J.Am.Chem.Soc., 134, 2012
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3U1O
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![BU of 3u1o by Molmil](/molmil-images/mine/3u1o) | THREE DIMENSIONAL STRUCTURE OF DE NOVO DESIGNED CYSTEINE ESTERASE ECH19, Northeast Structural Genomics Consortium Target OR49 | Descriptor: | De Novo design cysteine esterase ECH19, SODIUM ION, SULFATE ION | Authors: | Kuzin, A, Su, M, Lew, S, Forouhar, F, Seetharaman, J, Daya, P, Xiao, R, Ciccosanti, C, Richter, F, Everett, J.K, Acton, T.B, Baker, D, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2011-09-30 | Release date: | 2011-10-26 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.494 Å) | Cite: | Computational design of catalytic dyads and oxyanion holes for ester hydrolysis. J.Am.Chem.Soc., 134, 2012
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3U1V
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![BU of 3u1v by Molmil](/molmil-images/mine/3u1v) | X-ray Structure of De Novo design cysteine esterase FR29, Northeast Structural Genomics Consortium Target OR52 | Descriptor: | De Novo design cysteine esterase FR29 | Authors: | Kuzin, A, Su, M, Vorobiev, S.M, Seetharaman, J, Patel, D, Xiao, R, Ciccosanti, C, Richter, F, Everett, J.K, Acton, T.B, Baker, D, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2011-09-30 | Release date: | 2011-12-07 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.797 Å) | Cite: | Computational design of catalytic dyads and oxyanion holes for ester hydrolysis. J.Am.Chem.Soc., 134, 2012
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5DMA
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![BU of 5dma by Molmil](/molmil-images/mine/5dma) | |
2EYQ
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![BU of 2eyq by Molmil](/molmil-images/mine/2eyq) | |
4OSF
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![BU of 4osf by Molmil](/molmil-images/mine/4osf) | 4-(2-isothiocyanatoethyl)phenol inhibitor complexed with Macrophage Migration Inhibitory Factor | Descriptor: | CHLORIDE ION, ISOPROPYL ALCOHOL, Macrophage migration inhibitory factor, ... | Authors: | Spencer, E.S, Dale, E.J, Gommans, A.L, Vo, C.T, Rutledge, M.T, Nakatani, Y, Gamble, A.B, Smith, R.A.J, Wilbanks, S.M, Hampton, M.B, Tyndall, J.D.A. | Deposit date: | 2014-02-12 | Release date: | 2014-03-12 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Multiple binding modes of isothiocyanates that inhibit macrophage migration inhibitory factor Eur.J.Med.Chem., 93, 2015
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3WNR
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![BU of 3wnr by Molmil](/molmil-images/mine/3wnr) | Multiple binding modes of benzyl isothiocyanate inhibitor complexed with Macrophage Migration Inhibitory Factor | Descriptor: | CHLORIDE ION, GLYCEROL, Macrophage migration inhibitory factor, ... | Authors: | Spencer, E.S, Dale, E.J, Gommans, A.L, Rutledge, M.T, Gamble, A.B, Smith, R.A.J, Wilbanks, S.M, Hampton, M.B, Tyndall, J.D.A. | Deposit date: | 2013-12-16 | Release date: | 2014-03-05 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.008 Å) | Cite: | Multiple binding modes of isothiocyanates that inhibit macrophage migration inhibitory factor Eur.J.Med.Chem., 93, 2015
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3WNT
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![BU of 3wnt by Molmil](/molmil-images/mine/3wnt) | Multiple binding modes of benzyl isothiocyanate inhibitor complexed with Macrophage Migration Inhibitory Factor | Descriptor: | ISOPROPYL ALCOHOL, Macrophage migration inhibitory factor, N-benzylthioformamide, ... | Authors: | Spencer, E.S, Dale, E.J, Gommans, A.L, Rutledge, M.T, Gamble, A.B, Smith, R.A.J, Wilbanks, S.M, Hampton, M.B, Tyndall, J.D.A. | Deposit date: | 2013-12-16 | Release date: | 2014-03-05 | Last modified: | 2015-04-01 | Method: | X-RAY DIFFRACTION (2.074 Å) | Cite: | Multiple binding modes of isothiocyanates that inhibit macrophage migration inhibitory factor Eur.J.Med.Chem., 93, 2015
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3WNS
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![BU of 3wns by Molmil](/molmil-images/mine/3wns) | Allyl isothiocyanate inhibitor complexed with Macrophage Migration Inhibitory Factor | Descriptor: | CHLORIDE ION, GLYCEROL, ISOPROPYL ALCOHOL, ... | Authors: | Spencer, E.S, Dale, E.J, Gommans, A.L, Rutledge, M.T, Gamble, A.B, Smith, R.A.J, Wilbanks, S.M, Hampton, M.B, Tyndall, J.D.A. | Deposit date: | 2013-12-16 | Release date: | 2014-03-05 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.658 Å) | Cite: | Multiple binding modes of isothiocyanates that inhibit macrophage migration inhibitory factor Eur.J.Med.Chem., 93, 2015
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