4KVI
 
 | | Crystal structure of Aspergillus terreus aristolochene synthase complexed with (4aS,7S)-4a-methyl-7-(prop-1-en-2-yl)-2,3,4,4a,5,6,7,8-octahydroquinolin-1-ium | | Descriptor: | (4aS,7S)-4a-methyl-7-(prop-1-en-2-yl)-2,3,4,4a,5,6,7,8-octahydroquinolinium, Aristolochene synthase, MAGNESIUM ION, ... | | Authors: | Chen, M, Faraldos, J.A, Al-lami, N, Janvier, M, D'Antonio, E.L, Cane, D.E, Allemann, R.K, Christianson, D.W. | | Deposit date: | 2013-05-22 | | Release date: | 2013-08-14 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Mechanistic insights from the binding of substrate and carbocation intermediate analogues to aristolochene synthase.
Biochemistry, 52, 2013
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4KVW
 | | Crystal structure of Aspergillus terreus aristolochene synthase complexed with (3R,6R,9aR)-6,9a-dimethyl-3-(prop-1-en-2-yl)decahydroquinolizin-5-ium | | Descriptor: | (3R,5S,6R,9aR)-6,9a-dimethyl-3-(prop-1-en-2-yl)octahydro-2H-quinolizinium, Aristolochene synthase, GLYCEROL, ... | | Authors: | Chen, M, Al-lami, N, Janvier, M, D'Antonio, E.L, Faraldos, J.A, Cane, D.E, Allemann, R.K, Christianson, D.W. | | Deposit date: | 2013-05-23 | | Release date: | 2013-08-14 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.102 Å) | | Cite: | Mechanistic insights from the binding of substrate and carbocation intermediate analogues to aristolochene synthase.
Biochemistry, 52, 2013
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1H6T
 | | Internalin B: crystal structure of fused N-terminal domains. | | Descriptor: | INTERNALIN B | | Authors: | Schubert, W.-D, Gobel, G, Diepholz, M, Darji, A, Kloer, D, Hain, T, Chakraborty, T, Wehland, J, Domann, E, Heinz, D.W. | | Deposit date: | 2001-06-22 | | Release date: | 2001-10-11 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Internalins from the human pathogen Listeria monocytogenes combine three distinct folds into a contiguous internalin domain.
J.Mol.Biol., 312, 2001
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2C0T
 | | Src family kinase Hck with bound inhibitor A-641359 | | Descriptor: | CALCIUM ION, N-(4-{4-AMINO-1-[1-(TETRAHYDRO-2H-PYRAN-4-YL)PIPERIDIN-4-YL]-1H-PYRAZOLO[3,4-D]PYRIMIDIN-3-YL}-2-METHOXYPHENYL)-1-METHYL-1H-INDOLE-2-CARBOXAMIDE, TYROSINE-PROTEIN KINASE HCK | | Authors: | Borhani, D.W, Burchat, A, Calderwood, D.J, Hirst, G.C, Li, B, Loew, A. | | Deposit date: | 2005-09-07 | | Release date: | 2006-09-20 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Discovery of A-770041, a Src-Family Selective Orally Active Lck Inhibitor that Prevents Organ Allograft Rejection.
Bioorg.Med.Chem.Lett., 16, 2006
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4LA6
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1H6U
 | | Internalin H: crystal structure of fused N-terminal domains. | | Descriptor: | INTERNALIN H | | Authors: | Schubert, W.-D, Gobel, G, Diepholz, M, Darji, A, Kloer, D, Hain, T, Chakraborty, T, Wehland, J, Domann, E, Heinz, D.W. | | Deposit date: | 2001-06-25 | | Release date: | 2001-10-11 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Internalins from the human pathogen Listeria monocytogenes combine three distinct folds into a contiguous internalin domain.
J.Mol.Biol., 312, 2001
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4KVD
 | | Crystal structure of Aspergillus terreus aristolochene synthase complexed with (4aS,7S)-1,4a-dimethyl-7-(prop-1-en-2-yl)decahydroquinolin-1-ium | | Descriptor: | (1R,4aS,7S,8aR)-1,4a-dimethyl-7-(prop-1-en-2-yl)decahydroquinolinium, Aristolochene synthase, GLYCEROL, ... | | Authors: | Chen, M, Faraldos, J.A, Al-lami, N, Janvier, M, D'Antonio, E.L, Cane, D.E, Allemann, R.K, Christianson, D.W. | | Deposit date: | 2013-05-22 | | Release date: | 2013-08-14 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Mechanistic insights from the binding of substrate and carbocation intermediate analogues to aristolochene synthase.
Biochemistry, 52, 2013
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5J8G
 | | Structure of nitroreductase from E. cloacae complexed with para-nitrobenzoic acid | | Descriptor: | 4-NITROBENZOIC ACID, FLAVIN MONONUCLEOTIDE, Oxygen-insensitive NAD(P)H nitroreductase | | Authors: | Haynes, C.A, Koder, R.L, Miller, A.-F, Rodgers, D.W. | | Deposit date: | 2016-04-07 | | Release date: | 2017-05-17 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Mechanism-Informed Refinement Reveals Altered Substrate-Binding Mode for Catalytically Competent Nitroreductase.
Structure, 25, 2017
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4KWD
 | | Crystal structure of Aspergillus terreus aristolochene synthase complexed with (1R,8R,9aS)-1,9a-dimethyl-8-(prop-1-en-2-yl)decahydroquinolizin-5-ium | | Descriptor: | (1R,5R,8R,9aS)-1,9a-dimethyl-8-(prop-1-en-2-yl)octahydro-2H-quinolizinium, Aristolochene synthase, GLYCEROL, ... | | Authors: | Chen, M, Al-lami, N, Janvier, M, D'Antonio, E.L, Faraldos, J.A, Cane, D.E, Allemann, R.K, Christianson, D.W. | | Deposit date: | 2013-05-23 | | Release date: | 2013-08-14 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.857 Å) | | Cite: | Mechanistic insights from the binding of substrate and carbocation intermediate analogues to aristolochene synthase.
Biochemistry, 52, 2013
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4LA5
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4JL1
 | | Crystal structure of a bacterial fucosidase with a multivalent iminocyclitol inhibitor | | Descriptor: | (3S,4R,5S)-N-benzyl-3,4-dihydroxy-5-methyl-D-prolinamide, GLYCEROL, IMIDAZOLE, ... | | Authors: | Wright, D.W, Davies, G.J. | | Deposit date: | 2013-03-12 | | Release date: | 2014-01-22 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Exploring a Multivalent Approach to alpha-L-Fucosidase Inhibition
EUR.J.ORG.CHEM., 2013, 2013
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4JFS
 | | Crystal structure of a bacterial fucosidase with iminosugar inhibitor 4-epi-(+)-Codonopsinine | | Descriptor: | (2S,3S,4R,5S)-2-(4-methoxyphenyl)-1,5-dimethylpyrrolidine-3,4-diol, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, ... | | Authors: | Wright, D.W, Davies, G.J. | | Deposit date: | 2013-02-28 | | Release date: | 2013-09-18 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | alpha-L-fucosidase inhibition by pyrrolidine-ferrocene hybrids: rationalization of ligand-binding properties by structural studies.
Chemistry, 19, 2013
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5JH7
 | | Tubulin-Eribulin complex | | Descriptor: | (1S,3S,6S,9S,12S,14R,16R,18S,20R,21R,22S,26R,29S,31R,32S,33R,35R,36S)-20-[(2S)-3-amino-2-hydroxypropyl]-21-methoxy-14-methyl-8,15-dimethylidene-2,19,30,34,37,39,40,41-octaoxanonacyclo[24.9.2.1~3,32~.1~3,33~.1~6,9~.1~12,16~.0~18,22~.0~29,36~.0~31,35~]hentetracontan-24-one (non-preferred name), 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | | Authors: | Doodhi, H, Prota, A.E, Rodriguez-Garcia, R, Xiao, H, Custar, D.W, Bargsten, K, Katrukha, E.A, Hilbert, M, Hua, S, Jiang, K, Grigoriev, I, Yang, C.-P.H, Cox, D, Band Horwitz, S, Kapitein, L.C, Akhmanova, A, Steinmetz, M.O. | | Deposit date: | 2016-04-20 | | Release date: | 2016-06-29 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Termination of Protofilament Elongation by Eribulin Induces Lattice Defects that Promote Microtubule Catastrophes.
Curr.Biol., 26, 2016
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1GLD
 | | CATION PROMOTED ASSOCIATION (CPA) OF A REGULATORY AND TARGET PROTEIN IS CONTROLLED BY PHOSPHORYLATION | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, GLUCOSE-SPECIFIC PROTEIN IIIGlc, GLYCERALDEHYDE-3-PHOSPHATE, ... | | Authors: | Feese, M.D, Meadow, N.D, Roseman, S, Pettigrew, D.W, Remington, S.J. | | Deposit date: | 1994-03-07 | | Release date: | 1994-05-31 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.93 Å) | | Cite: | Cation-promoted association of a regulatory and target protein is controlled by protein phosphorylation.
Proc.Natl.Acad.Sci.USA, 91, 1994
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4JFT
 | | Crystal structure of a bacterial fucosidase with iminosugar inhibitor N-desmethyl-4-epi-(+)-Codonopsinine | | Descriptor: | (2S,3S,4R,5S)-2-(4-methoxyphenyl)-5-methylpyrrolidine-3,4-diol, GLYCEROL, IMIDAZOLE, ... | | Authors: | Wright, D.W, Davies, G.J. | | Deposit date: | 2013-02-28 | | Release date: | 2013-09-18 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | alpha-L-fucosidase inhibition by pyrrolidine-ferrocene hybrids: rationalization of ligand-binding properties by structural studies.
Chemistry, 19, 2013
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212L
 | | PROTEIN STRUCTURE PLASTICITY EXEMPLIFIED BY INSERTION AND DELETION MUTANTS IN T4 LYSOZYME | | Descriptor: | 2-HYDROXYETHYL DISULFIDE, T4 LYSOZYME | | Authors: | Vetter, I.R, Baase, W.A, Heinz, D.W, Xiong, J.-P, Snow, S, Matthews, B.W. | | Deposit date: | 1996-09-23 | | Release date: | 1996-12-23 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Protein structural plasticity exemplified by insertion and deletion mutants in T4 lysozyme.
Protein Sci., 5, 1996
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211L
 | | PROTEIN STRUCTURE PLASTICITY EXEMPLIFIED BY INSERTION AND DELETION MUTANTS IN T4 LYSOZYME | | Descriptor: | 2-HYDROXYETHYL DISULFIDE, T4 LYSOZYME | | Authors: | Vetter, I.R, Baase, W.A, Heinz, D.W, Xiong, J.-P, Snow, S, Matthews, B.W. | | Deposit date: | 1996-09-23 | | Release date: | 1996-12-23 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Protein structural plasticity exemplified by insertion and deletion mutants in T4 lysozyme.
Protein Sci., 5, 1996
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209L
 | | PROTEIN STRUCTURE PLASTICITY EXEMPLIFIED BY INSERTION AND DELETION MUTANTS IN T4 LYSOZYME | | Descriptor: | T4 LYSOZYME | | Authors: | Vetter, I.R, Baase, W.A, Heinz, D.W, Xiong, J.-P, Snow, S, Matthews, B.W. | | Deposit date: | 1996-09-23 | | Release date: | 1996-12-23 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Protein structural plasticity exemplified by insertion and deletion mutants in T4 lysozyme.
Protein Sci., 5, 1996
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215L
 | | PROTEIN STRUCTURE PLASTICITY EXEMPLIFIED BY INSERTION AND DELETION MUTANTS IN T4 LYSOZYME | | Descriptor: | 2-HYDROXYETHYL DISULFIDE, T4 LYSOZYME | | Authors: | Vetter, I.R, Baase, W.A, Heinz, D.W, Xiong, J.-P, Snow, S, Matthews, B.W. | | Deposit date: | 1996-09-23 | | Release date: | 1996-12-23 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Protein structural plasticity exemplified by insertion and deletion mutants in T4 lysozyme.
Protein Sci., 5, 1996
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218L
 | | PROTEIN STRUCTURE PLASTICITY EXEMPLIFIED BY INSERTION AND DELETION MUTANTS IN T4 LYSOZYME | | Descriptor: | T4 LYSOZYME | | Authors: | Vetter, I.R, Baase, W.A, Heinz, D.W, Xiong, J.-P, Snow, S, Matthews, B.W. | | Deposit date: | 1996-09-23 | | Release date: | 1996-12-23 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Protein structural plasticity exemplified by insertion and deletion mutants in T4 lysozyme.
Protein Sci., 5, 1996
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214L
 | | PROTEIN STRUCTURE PLASTICITY EXEMPLIFIED BY INSERTION AND DELETION MUTANTS IN T4 LYSOZYME | | Descriptor: | T4 LYSOZYME | | Authors: | Vetter, I.R, Baase, W.A, Heinz, D.W, Xiong, J.-P, Snow, S, Matthews, B.W. | | Deposit date: | 1996-09-23 | | Release date: | 1996-12-23 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Protein structural plasticity exemplified by insertion and deletion mutants in T4 lysozyme.
Protein Sci., 5, 1996
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213L
 | | PROTEIN STRUCTURE PLASTICITY EXEMPLIFIED BY INSERTION AND DELETION MUTANTS IN T4 LYSOZYME | | Descriptor: | T4 LYSOZYME | | Authors: | Vetter, I.R, Baase, W.A, Heinz, D.W, Xiong, J.-P, Snow, S, Matthews, B.W. | | Deposit date: | 1996-09-23 | | Release date: | 1996-12-23 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.13 Å) | | Cite: | Protein structural plasticity exemplified by insertion and deletion mutants in T4 lysozyme.
Protein Sci., 5, 1996
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4JL2
 | | Crystal structure of a bacterial fucosidase with a monovalent iminocyclitol inhibitor | | Descriptor: | (3S,4R,5S)-N-benzyl-3,4-dihydroxy-5-methyl-D-prolinamide, GLYCEROL, IMIDAZOLE, ... | | Authors: | Wright, D.W, Davies, G.J. | | Deposit date: | 2013-03-12 | | Release date: | 2014-01-22 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Exploring a Multivalent Approach to alpha-L-Fucosidase Inhibition
EUR.J.ORG.CHEM., 2013, 2013
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2C0O
 | | Src family kinase Hck with bound inhibitor A-770041 | | Descriptor: | CALCIUM ION, N-(4-{1-[4-(4-ACETYLPIPERAZIN-1-YL)-TRANS-CYCLOHEXYL]-4-AMINO-1H-PYRAZOLO[3,4-D]PYRIMIDIN-3-YL}-2-METHOXYPHENYL)-1-METHYL-1H-INDOLE-2-CARBOXAMIDE, TYROSINE-PROTEIN KINASE HCK | | Authors: | Borhani, D.W, Burchat, A, Calderwood, D.J, Hirst, G.C, Li, B, Loew, A. | | Deposit date: | 2005-09-06 | | Release date: | 2006-09-20 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Discovery of A-770041, a Src-Family Selective Orally Active Lck Inhibitor that Prevents Organ Allograft Rejection.
Bioorg.Med.Chem.Lett., 16, 2006
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2C0I
 | | Src family kinase Hck with bound inhibitor A-420983 | | Descriptor: | CALCIUM ION, N-(4-{4-AMINO-1-[4-(4-METHYLPIPERAZIN-1-YL)-TRANS-CYCLOHEXYL]-1H-PYRAZOLO[3,4-D]PYRIMIDIN-3-YL}-2-METHOXYPHENYL)-1-METHYL-1H-INDOLE-2-CARBOXAMIDE, TYROSINE-PROTEIN KINASE HCK | | Authors: | Borhani, D.W, Burchat, A, Calderwood, D.J, Hirst, G.C, Li, B, Loew, A. | | Deposit date: | 2005-09-03 | | Release date: | 2006-09-20 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Discovery of A-770041, a Src-Family Selective Orally Active Lck Inhibitor that Prevents Organ Allograft Rejection.
Bioorg.Med.Chem.Lett., 16, 2006
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