3O8I
 
 | | Structure of 14-3-3 isoform sigma in complex with a C-Raf1 peptide and a stabilizing small molecule fragment | | Descriptor: | 14-3-3 binding site peptide of RAF proto-oncogene serine/threonine-protein kinase, 14-3-3 protein sigma, 6,6-dihydroxy-1-methoxyhexan-2-one | | Authors: | Ottmann, C, Rose, R, Kaiser, M, Kuhenne, P. | | Deposit date: | 2010-08-03 | | Release date: | 2010-09-29 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Impaired Binding of 14-3-3 to C-RAF in Noonan Syndrome Suggests New Approaches in Diseases with Increased Ras Signaling
Mol.Cell.Biol., 30, 2010
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1JC7
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1JB3
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7L5D
 | | The crystal structure of SARS-CoV-2 Main Protease in complex with demethylated analog of masitinib | | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, GLYCEROL, ... | | Authors: | Tan, K, Maltseva, N.I, Jedrzejczak, R.P, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2020-12-21 | | Release date: | 2020-12-30 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Masitinib is a broad coronavirus 3CL inhibitor that blocks replication of SARS-CoV-2.
Science, 373, 2021
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2Y7A
 | | Crystal structure of unliganded GTB P156L | | Descriptor: | ABO GLYCOSYLTRANSFERASE, MANGANESE (II) ION, URIDINE-5'-DIPHOSPHATE | | Authors: | Weadge, J, Palcic, M.M, Henriksen, A. | | Deposit date: | 2011-01-31 | | Release date: | 2012-02-15 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | Structural and Biochemical Characterization of the Human Blood Group a and B Galactosyltransferases Possessing the Pro156Leu Mutation
To be Published
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2CSN
 | | BINARY COMPLEX OF CASEIN KINASE-1 WITH CKI7 | | Descriptor: | CASEIN KINASE-1, N-(2-AMINOETHYL)-5-CHLOROISOQUINOLINE-8-SULFONAMIDE, SULFATE ION | | Authors: | Xu, R.-M, Cheng, X. | | Deposit date: | 1995-10-11 | | Release date: | 1996-03-08 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural basis for selectivity of the isoquinoline sulfonamide family of protein kinase inhibitors.
Proc.Natl.Acad.Sci.USA, 93, 1996
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2VFO
 | | Low Temperature Structure of P22 Tailspike Protein Fragment (109-666), Mutant V125L | | Descriptor: | CALCIUM ION, GLYCEROL, P22 TAILSPIKE PROTEIN, ... | | Authors: | Becker, M, Mueller, J.J, Heinemann, U, Seckler, R. | | Deposit date: | 2007-11-05 | | Release date: | 2008-12-16 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Side-Chain Stacking and Beta-Helix Stability in P22 Tailspike Protein
To be Published
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2VFM
 | | Low Temperature Structure of P22 Tailspike Protein Fragment (109-666) | | Descriptor: | BIFUNCTIONAL TAIL PROTEIN, CALCIUM ION, GLYCEROL, ... | | Authors: | Becker, M, Mueller, J.J, Heinemann, U, Seckler, R. | | Deposit date: | 2007-11-05 | | Release date: | 2008-12-16 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Side-Chain Stacking and Beta-Helix Stability in P22 Tailspike Protein
To be Published
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2VFQ
 | | Low Temperature Structure of P22 Tailspike Protein Fragment (109-666), Mutant V450A | | Descriptor: | CALCIUM ION, GLYCEROL, P22 TAILSPIKE PROTEIN,, ... | | Authors: | Becker, M, Mueller, J.J, Heinemann, U, Seckler, R. | | Deposit date: | 2007-11-05 | | Release date: | 2008-12-16 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Side-Chain Stacking and Beta-Helix Stability in P22 Tailspike Protein
To be Published
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2VFN
 | | Low Temperature Structure of P22 Tailspike Protein Fragment (109-666), Mutant V125A | | Descriptor: | BIFUNCTIONAL TAIL PROTEIN, CALCIUM ION, GLYCEROL, ... | | Authors: | Becker, M, Mueller, J.J, Heinemann, U, Seckler, R. | | Deposit date: | 2007-11-05 | | Release date: | 2008-12-16 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Side-Chain Stacking and Beta-Helix Stability in P22 Tailspike Protein
To be Published
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2VFP
 | | Low Temperature Structure of P22 Tailspike Protein Fragment (109-666), Mutant V349L | | Descriptor: | CALCIUM ION, GLYCEROL, P22 TAILSPIKE PROTEIN, ... | | Authors: | Becker, M, Mueller, J.J, Heinemann, U, Seckler, R. | | Deposit date: | 2007-11-05 | | Release date: | 2008-12-16 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Side-Chain Stacking and Beta-Helix Stability in P22 Tailspike Protein
To be Published
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1CSN
 | | BINARY COMPLEX OF CASEIN KINASE-1 WITH MGATP | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CASEIN KINASE-1, MAGNESIUM ION, ... | | Authors: | Xu, R.-M, Cheng, X. | | Deposit date: | 1995-04-25 | | Release date: | 1995-07-31 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of casein kinase-1, a phosphate-directed protein kinase.
EMBO J., 14, 1995
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5T9U
 | | Discovery of a Potent Cyclophilin Inhibitor (Compound 3) based on Structural Simplification of Sanglifehrin A | | Descriptor: | 3-[(3-hydroxyphenyl)methyl]-10,12-dimethoxy-9,11-dimethyl-6-(propan-2-yl)-19-oxa-1,4,7,25-tetraazabicyclo[19.3.1]pentacosa-13,15-diene-2,5,8,20-tetrone, Peptidyl-prolyl cis-trans isomerase A | | Authors: | Appleby, T.C, Steadman, V, Pettit, S, Schmitz, U, Mackman, R.L, Schultz, B. | | Deposit date: | 2016-09-09 | | Release date: | 2017-01-25 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.301 Å) | | Cite: | Discovery of Potent Cyclophilin Inhibitors Based on the Structural Simplification of Sanglifehrin A.
J. Med. Chem., 60, 2017
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5T9Z
 | | Discovery of a Potent Cyclophilin Inhibitor (Compound 6) based on Structural Simplification of Sanglifehrin A | | Descriptor: | 11-[(3-hydroxyphenyl)methyl]-18-methoxy-17-methyl-14-(propan-2-yl)-3-oxa-9,12,15,28-tetraazatricyclo[21.3.1.1~5,9~]octacosa-1(27),21,23,25-tetraene-4,10,13,16-tetrone, Peptidyl-prolyl cis-trans isomerase A | | Authors: | Appleby, T.C, Steadman, V, Pettit, S, Schmitz, U, Mackman, R.L, Schultz, B. | | Deposit date: | 2016-09-09 | | Release date: | 2017-01-25 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Discovery of Potent Cyclophilin Inhibitors Based on the Structural Simplification of Sanglifehrin A.
J. Med. Chem., 60, 2017
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5T9W
 | | Discovery of a Potent Cyclophilin Inhibitor (Compound 5) based on Structural Simplification of Sanglifehrin A | | Descriptor: | 3-[(3-hydroxyphenyl)methyl]-6-(propan-2-yl)-19-oxa-1,4,7,25-tetraazabicyclo[19.3.1]pentacosa-13,15-diene-2,5,8,20-tetrone, Peptidyl-prolyl cis-trans isomerase A | | Authors: | Appleby, T.C, Steadman, V, Pettit, P, Schmitz, U, Mackman, R.L, Schultz, B. | | Deposit date: | 2016-09-09 | | Release date: | 2017-01-25 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Discovery of Potent Cyclophilin Inhibitors Based on the Structural Simplification of Sanglifehrin A.
J. Med. Chem., 60, 2017
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5TA2
 | | Discovery of a Potent Cyclophilin Inhibitor (Compound 7) based on Structural Simplification of Sanglifehrin A | | Descriptor: | 11-[(3-hydroxyphenyl)methyl]-18-methoxy-2,17-dimethyl-14-(propan-2-yl)-3-oxa-9,12,15,28-tetraazatricyclo[21.3.1.1~5,9~]octacosa-1(27),21,23,25-tetraene-4,10,13,16-tetrone, Peptidyl-prolyl cis-trans isomerase A | | Authors: | Appleby, T.C, Steadman, V, Pettit, S, Schmitz, U, Mackman, R.L, Schultz, B. | | Deposit date: | 2016-09-09 | | Release date: | 2017-01-25 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | Discovery of Potent Cyclophilin Inhibitors Based on the Structural Simplification of Sanglifehrin A.
J. Med. Chem., 60, 2017
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5TA4
 | | Discovery of a Potent Cyclophilin Inhibitor (Compound 8) based on Structural Simplification of Sanglifehrin A | | Descriptor: | 18-methoxy-2,11,17-trimethyl-14-(propan-2-yl)-3-oxa-9,12,15,28-tetraazatricyclo[21.3.1.1~5,9~]octacosa-1(27),21,23,25-tetraene-4,10,13,16-tetrone, Peptidyl-prolyl cis-trans isomerase A, SULFATE ION | | Authors: | Appleby, T.C, Steadman, V, Pettit, S, Schmitz, U, Mackman, R.L, Schultz, B. | | Deposit date: | 2016-09-09 | | Release date: | 2017-01-25 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Discovery of Potent Cyclophilin Inhibitors Based on the Structural Simplification of Sanglifehrin A.
J. Med. Chem., 60, 2017
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5TJN
 | | Crystal structure of GTB + B trisaccharide (native) | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Histo-blood group ABO system transferase, alpha-L-fucopyranose-(1-2)-[alpha-D-galactopyranose-(1-3)]octyl beta-D-galactopyranoside | | Authors: | Legg, M.S.G, Gagnon, S.M.L, Evans, S.V. | | Deposit date: | 2016-10-04 | | Release date: | 2017-06-14 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | High-resolution crystal structures and STD NMR mapping of human ABO(H) blood group glycosyltransferases in complex with trisaccharide reaction products suggest a molecular basis for product release.
Glycobiology, 27, 2017
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5TJK
 | | Crystal structure of GTA + A trisaccharide (native) | | Descriptor: | GLYCEROL, Histo-blood group ABO system transferase, alpha-L-fucopyranose-(1-2)-[2-acetamido-2-deoxy-alpha-D-galactopyranose-(1-3)]octyl beta-D-galactopyranoside | | Authors: | Legg, M.S.G, Gagnon, S.M.L, Evans, S.V. | | Deposit date: | 2016-10-04 | | Release date: | 2017-06-14 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | High-resolution crystal structures and STD NMR mapping of human ABO(H) blood group glycosyltransferases in complex with trisaccharide reaction products suggest a molecular basis for product release.
Glycobiology, 27, 2017
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5TJL
 | | Crystal structure of GTA + A trisaccharide (mercury derivative) | | Descriptor: | Histo-blood group ABO system transferase, MERCURY (II) ION, alpha-L-fucopyranose-(1-2)-[2-acetamido-2-deoxy-alpha-D-galactopyranose-(1-3)]octyl beta-D-galactopyranoside | | Authors: | Legg, M.S.G, Gagnon, S.M.L, Evans, S.V. | | Deposit date: | 2016-10-04 | | Release date: | 2017-06-14 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | High-resolution crystal structures and STD NMR mapping of human ABO(H) blood group glycosyltransferases in complex with trisaccharide reaction products suggest a molecular basis for product release.
Glycobiology, 27, 2017
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5TJO
 | | Crystal structure of GTB + B trisaccharide (mercury derivative) | | Descriptor: | Histo-blood group ABO system transferase, MERCURY (II) ION, alpha-L-fucopyranose-(1-2)-[alpha-D-galactopyranose-(1-3)]octyl beta-D-galactopyranoside | | Authors: | Legg, M.S.G, Gagnon, S.M.L, Evans, S.V. | | Deposit date: | 2016-10-04 | | Release date: | 2017-06-14 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | High-resolution crystal structures and STD NMR mapping of human ABO(H) blood group glycosyltransferases in complex with trisaccharide reaction products suggest a molecular basis for product release.
Glycobiology, 27, 2017
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