3Q9U
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![BU of 3q9u by Molmil](/molmil-images/mine/3q9u) | In silico and in vitro co-evolution of a high affinity complementary protein-protein interface | Descriptor: | COENZYME A, CoA binding protein, consensus ankyrin repeat | Authors: | Karanicolas, J, Corn, J.E, Chen, I, Joachimiak, L.A, Dym, O, Chung, S, Albeck, S, Unger, T, Hu, W, Liu, G, Delbecq, S, Montelione, G.T, Spiegel, C, Liu, D, Baker, D, Israel Structural Proteomics Center (ISPC) | Deposit date: | 2011-01-10 | Release date: | 2011-04-20 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | A de novo protein binding pair by computational design and directed evolution. Mol.Cell, 42, 2011
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2K3H
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![BU of 2k3h by Molmil](/molmil-images/mine/2k3h) | Structural determinants for Ca2+ and PIP2 binding by the C2A domain of rabphilin-3A | Descriptor: | CALCIUM ION, Rabphilin-3A | Authors: | Coudevylle, N, Montaville, P, Leonov, A, Zweckstetter, M, Becker, S. | Deposit date: | 2008-05-08 | Release date: | 2008-10-21 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Structural Determinants for Ca2+ and Phosphatidylinositol 4,5-Bisphosphate Binding by the C2A Domain of Rabphilin-3A. J.Biol.Chem., 283, 2008
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2K39
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![BU of 2k39 by Molmil](/molmil-images/mine/2k39) | Recognition dynamics up to microseconds revealed from RDC derived ubiquitin ensemble in solution | Descriptor: | Ubiquitin | Authors: | Lange, O.F, Lakomek, N.A, Fares, C, Schroder, G, Walter, K, Becker, S, Meiler, J, Grubmuller, H, Griesinger, C, de Groot, B.L. | Deposit date: | 2008-04-25 | Release date: | 2008-06-24 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Recognition dynamics up to microseconds revealed from an RDC-derived ubiquitin ensemble in solution. Science, 320, 2008
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2CM5
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![BU of 2cm5 by Molmil](/molmil-images/mine/2cm5) | crystal structure of the C2B domain of rabphilin | Descriptor: | CALCIUM ION, RABPHILIN-3A | Authors: | Schlicker, C, Montaville, P, Sheldrick, G.M, Becker, S. | Deposit date: | 2006-05-04 | Release date: | 2006-12-04 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.28 Å) | Cite: | The C2A-C2B Linker Defines the High Affinity Ca2+ Binding Mode of Rabphilin-3A. J.Biol.Chem., 282, 2007
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3RON
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![BU of 3ron by Molmil](/molmil-images/mine/3ron) | Crystal Structure and Hemolytic Activity of the Cyt1Aa Toxin from Bacillus thuringiensis subsp. israelensis | Descriptor: | Type-1Aa cytolytic delta-endotoxin | Authors: | Cohen, S, Albeck, S, Ben-Dov, E, Cahan, R, Firer, M, Zaritsky, A, Dym, O, Israel Structural Proteomics Center (ISPC) | Deposit date: | 2011-04-26 | Release date: | 2011-10-12 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Cyt1Aa Toxin: Crystal Structure Reveals Implications for Its Membrane-Perforating Function. J.Mol.Biol., 413, 2011
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3UYC
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![BU of 3uyc by Molmil](/molmil-images/mine/3uyc) | Designed protein KE59 R8_2/7A | Descriptor: | Kemp eliminase KE59 R8_2/7A, PHOSPHATE ION | Authors: | Khersonsky, O, Kiss, G, Roethlisberger, D, Dym, O, Albeck, S, Houk, K.N, Baker, D, Tawfik, D.S, Israel Structural Proteomics Center (ISPC) | Deposit date: | 2011-12-06 | Release date: | 2012-06-06 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Bridging the gaps in design methodologies by evolutionary optimization of the stability and proficiency of designed Kemp eliminase KE59. Proc.Natl.Acad.Sci.USA, 109, 2012
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2CA7
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![BU of 2ca7 by Molmil](/molmil-images/mine/2ca7) | Conkunitzin-S1 Is The First Member Of A New Kunitz-Type Neurotoxin Family- Structural and Functional Characterization | Descriptor: | CONKUNITZIN-S1 | Authors: | Bayrhuber, M, Vijayan, V, Ferber, M, Graf, R, Korukottu, J, Imperial, J, Garrett, J.E, Olivera, B.M, Terlau, H, Zweckstetter, M, Becker, S. | Deposit date: | 2005-12-19 | Release date: | 2006-01-05 | Last modified: | 2020-01-15 | Method: | SOLUTION NMR | Cite: | Conkunitzin-S1 is the first member of a new Kunitz-type neurotoxin family. Structural and functional characterization. J. Biol. Chem., 280, 2005
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3UXA
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![BU of 3uxa by Molmil](/molmil-images/mine/3uxa) | Designed protein KE59 R1 7/10H | Descriptor: | Kemp eliminase KE59 R1 7/10H, PHOSPHATE ION | Authors: | Khersonsky, O, Kiss, G, Roethlisberger, D, Dym, O, Albeck, S, Houk, K.N, Baker, D, Tawfik, D.S, Israel Structural Proteomics Center (ISPC) | Deposit date: | 2011-12-05 | Release date: | 2012-06-06 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Bridging the gaps in design methodologies by evolutionary optimization of the stability and proficiency of designed Kemp eliminase KE59. Proc.Natl.Acad.Sci.USA, 109, 2012
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3UXD
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![BU of 3uxd by Molmil](/molmil-images/mine/3uxd) | Designed protein KE59 R1 7/10H with dichlorobenzotriazole (DBT) | Descriptor: | 5,7-dichloro-1H-benzotriazole, Kemp eliminase KE59 R1 7/10H, PHOSPHATE ION | Authors: | Khersonsky, O, Kiss, G, Roethlisberger, D, Dym, O, Albeck, S, Houk, K.N, Baker, D, Tawfik, D.S, Israel Structural Proteomics Center (ISPC) | Deposit date: | 2011-12-05 | Release date: | 2012-06-06 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Bridging the gaps in design methodologies by evolutionary optimization of the stability and proficiency of designed Kemp eliminase KE59. Proc.Natl.Acad.Sci.USA, 109, 2012
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3UY7
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![BU of 3uy7 by Molmil](/molmil-images/mine/3uy7) | Designed protein KE59 R1 7/10H with G130S mutation | Descriptor: | Kemp eliminase KE59 R1 7/10H, SODIUM ION, SULFATE ION | Authors: | Khersonsky, O, Kiss, G, Roethlisberger, D, Dym, O, Albeck, S, Houk, K.N, Baker, D, Tawfik, D.S, Israel Structural Proteomics Center (ISPC) | Deposit date: | 2011-12-06 | Release date: | 2012-06-27 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Bridging the gaps in design methodologies by evolutionary optimization of the stability and proficiency of designed Kemp eliminase KE59. Proc.Natl.Acad.Sci.USA, 109, 2012
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3UZ5
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![BU of 3uz5 by Molmil](/molmil-images/mine/3uz5) | Designed protein KE59 R13 3/11H | Descriptor: | 5,7-dichloro-1H-benzotriazole, Kemp eliminase KE59 R13 3/11H, PHOSPHATE ION, ... | Authors: | Khersonsky, O, Kiss, G, Roethlisberger, D, Dym, O, Albeck, S, Houk, K.N, Baker, D, Tawfik, D.S, Israel Structural Proteomics Center (ISPC) | Deposit date: | 2011-12-07 | Release date: | 2012-06-06 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Bridging the gaps in design methodologies by evolutionary optimization of the stability and proficiency of designed Kemp eliminase KE59. Proc.Natl.Acad.Sci.USA, 109, 2012
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3UZJ
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![BU of 3uzj by Molmil](/molmil-images/mine/3uzj) | Designed protein KE59 R13 3/11H with benzotriazole | Descriptor: | 1H-benzotriazole, Kemp eliminase KE59 R13 3/11H, PHOSPHATE ION | Authors: | Khersonsky, O, Kiss, G, Roethlisberger, D, Dym, O, Albeck, S, Houk, K.N, Baker, D, Tawfik, D.S, Israel Structural Proteomics Center (ISPC) | Deposit date: | 2011-12-07 | Release date: | 2012-06-06 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Bridging the gaps in design methodologies by evolutionary optimization of the stability and proficiency of designed Kemp eliminase KE59. Proc.Natl.Acad.Sci.USA, 109, 2012
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3UY8
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![BU of 3uy8 by Molmil](/molmil-images/mine/3uy8) | Designed protein KE59 R5_11/5F | Descriptor: | Kemp eliminase KE59 R5_11/5F, SULFATE ION | Authors: | Khersonsky, O, Kiss, G, Roethlisberger, D, Dym, O, Albeck, S, Houk, K.N, Baker, D, Tawfik, D.S, Israel Structural Proteomics Center (ISPC) | Deposit date: | 2011-12-06 | Release date: | 2012-06-06 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | Bridging the gaps in design methodologies by evolutionary optimization of the stability and proficiency of designed Kemp eliminase KE59. Proc.Natl.Acad.Sci.USA, 109, 2012
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2CHD
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![BU of 2chd by Molmil](/molmil-images/mine/2chd) | Crystal structure of the C2A domain of Rabphilin-3A | Descriptor: | GLYCEROL, RABPHILIN-3A | Authors: | Biadene, M, Montaville, P, Sheldrick, G.M, Becker, S. | Deposit date: | 2006-03-14 | Release date: | 2006-06-28 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Structure of the C2A Domain of Rabphilin-3A. Acta Crystallogr.,Sect.D, 62, 2006
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2CM6
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![BU of 2cm6 by Molmil](/molmil-images/mine/2cm6) | crystal structure of the C2B domain of rabphilin3A | Descriptor: | CALCIUM ION, PHOSPHATE ION, RABPHILIN-3A | Authors: | Schlicker, C, Montaville, P, Sheldrick, G.M, Becker, S. | Deposit date: | 2006-05-04 | Release date: | 2006-12-04 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | The C2A-C2B Linker Defines the High Affinity Ca2+ Binding Mode of Rabphilin-3A. J.Biol.Chem., 282, 2007
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3Q2D
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![BU of 3q2d by Molmil](/molmil-images/mine/3q2d) | Optimization of the in silico designed Kemp eliminase KE70 by computational design and directed evolution | Descriptor: | 5-nitro-1H-benzotriazole, Deoxyribose phosphate aldolase | Authors: | Khersonsky, O, Rothlisberge, D, Wollacott, A.M, Murphy, P, Dym, O, Albeck, S, Kiss, G, Houk, K.N, Baker, D, Tawfik, D.S, Israel Structural Proteomics Center (ISPC) | Deposit date: | 2010-12-20 | Release date: | 2011-02-09 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Optimization of the in-silico-designed kemp eliminase KE70 by computational design and directed evolution J.Mol.Biol., 407, 2011
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4WAC
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![BU of 4wac by Molmil](/molmil-images/mine/4wac) | Crystal Structure of TarM | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Koc, C, Stehle, T, Xia, G, Peschel, A. | Deposit date: | 2014-08-29 | Release date: | 2015-02-25 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural and Enzymatic Analysis of TarM Glycosyltransferase from Staphylococcus aureus Reveals an Oligomeric Protein Specific for the Glycosylation of Wall Teichoic Acid. J.Biol.Chem., 290, 2015
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4WAD
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![BU of 4wad by Molmil](/molmil-images/mine/4wad) | Crystal Structure of TarM with UDP-GlcNAc | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Glycosyl transferase, ... | Authors: | Koc, C, Stehle, T, Xia, G, Peschel, A. | Deposit date: | 2014-08-29 | Release date: | 2015-02-25 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural and Enzymatic Analysis of TarM Glycosyltransferase from Staphylococcus aureus Reveals an Oligomeric Protein Specific for the Glycosylation of Wall Teichoic Acid. J.Biol.Chem., 290, 2015
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2HXQ
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![BU of 2hxq by Molmil](/molmil-images/mine/2hxq) | crystal structure of Chek1 in complex with inhibitor 2 | Descriptor: | 3-(5-{[4-(AMINOMETHYL)PIPERIDIN-1-YL]METHYL}-1H-INDOL-2-YL)QUINOLIN-2(1H)-ONE, Serine/threonine-protein kinase Chk1 | Authors: | Yan, Y. | Deposit date: | 2006-08-03 | Release date: | 2007-06-19 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Development of 6-substituted indolylquinolinones as potent Chek1 kinase inhibitors. Bioorg.Med.Chem.Lett., 16, 2006
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2HY0
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![BU of 2hy0 by Molmil](/molmil-images/mine/2hy0) | crystal structure of chek1 in complex with inhibitor 22 | Descriptor: | 3-[5-(PIPERIDIN-1-YLMETHYL)-1H-INDOL-2-YL]-6-(1H-PYRAZOL-4-YL)QUINOLIN-2(1H)-ONE, Serine/threonine-protein kinase Chk1 | Authors: | Yan, Y. | Deposit date: | 2006-08-04 | Release date: | 2007-06-19 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Development of 6-substituted indolylquinolinones as potent Chek1 kinase inhibitors. Bioorg.Med.Chem.Lett., 16, 2006
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2HXL
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![BU of 2hxl by Molmil](/molmil-images/mine/2hxl) | crystal structure of Chek1 in complex with inhibitor 1 | Descriptor: | 3-(5-{[4-(AMINOMETHYL)PIPERIDIN-1-YL]METHYL}-1H-INDOL-2-YL)-1H-INDAZOLE-6-CARBONITRILE, Serine/threonine-protein kinase Chk1 | Authors: | Yan, Y. | Deposit date: | 2006-08-03 | Release date: | 2007-06-19 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Development of 6-substituted indolylquinolinones as potent Chek1 kinase inhibitors. Bioorg.Med.Chem.Lett., 16, 2006
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8Q1H
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![BU of 8q1h by Molmil](/molmil-images/mine/8q1h) | LSD1 Y391K-CoREST bound to Histone H3 N-terminal tail | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Histone H3.3C, Lysine-specific histone demethylase 1A, ... | Authors: | Barone, M, Mattevi, A. | Deposit date: | 2023-07-31 | Release date: | 2024-05-15 | Last modified: | 2024-07-17 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Uncoupling histone modification crosstalk by engineering lysine demethylase LSD1. Nat.Chem.Biol., 2024
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8Q1J
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![BU of 8q1j by Molmil](/molmil-images/mine/8q1j) | LSD1 Y391K-CoREST bound to Acetylated K14 of Histone H3 | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Histone H3.3C, Lysine-specific histone demethylase 1A, ... | Authors: | Barone, M, Mattevi, A. | Deposit date: | 2023-07-31 | Release date: | 2024-05-15 | Last modified: | 2024-07-17 | Method: | X-RAY DIFFRACTION (2.87 Å) | Cite: | Uncoupling histone modification crosstalk by engineering lysine demethylase LSD1. Nat.Chem.Biol., 2024
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8Q1G
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![BU of 8q1g by Molmil](/molmil-images/mine/8q1g) | LSD1-CoREST bound to Acetylated K14 of Histone H3 | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Histone H3.3C, Lysine-specific histone demethylase 1A, ... | Authors: | Barone, M, Mattevi, A. | Deposit date: | 2023-07-31 | Release date: | 2024-05-15 | Last modified: | 2024-07-17 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Uncoupling histone modification crosstalk by engineering lysine demethylase LSD1. Nat.Chem.Biol., 2024
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4U4M
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![BU of 4u4m by Molmil](/molmil-images/mine/4u4m) | Crystal structure of 0.5M urea unfolded YagE, a KDG aldolase protein in complex with Pyruvate | Descriptor: | 1,2-ETHANEDIOL, PYRUVIC ACID, UREA, ... | Authors: | Manoj Kumar, P, Bhaskar, V, Manicka, S, Krishnaswamy, S. | Deposit date: | 2014-07-24 | Release date: | 2015-07-29 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (3.09 Å) | Cite: | Crystal structure of 0.5M urea unfolded YagE, a KDG aldolase protein in complex with Pyruvate To be published
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