2F7X
 
 | | Protein Kinase A bound to (S)-2-(1H-Indol-3-yl)-1-[5-((E)-2-pyridin-4-yl-vinyl)-pyridin-3-yloxymethyl]-ethylamine | | Descriptor: | (1S)-2-(1H-INDOL-3-YL)-1-[({5-[(E)-2-PYRIDIN-4-YLVINYL]PYRIDIN-3-YL}OXY)METHYL]ETHYLAMINE, PKI, inhibitory peptide, ... | | Authors: | Li, Q, Li, T, Zhu, G.D, Gong, J, Claibone, A, Dalton, C, Luo, Y, Johnson, E.F, Shi, Y, Liu, X, Klinghofer, V, Bauch, J.L, Marsh, K.C, Bouska, J.J, Arries, S, De Jong, R, Oltersdorf, T, Stoll, V.S, Jakob, C.G, Rosenberg, S.H, Giranda, V.L. | | Deposit date: | 2005-12-01 | | Release date: | 2006-06-27 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Discovery of trans-3,4'-bispyridinylethylenes as potent and novel inhibitors of protein kinase B (PKB/Akt) for the treatment of cancer: Synthesis and biological evaluation.
Bioorg.Med.Chem.Lett., 16, 2006
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2F5A
 | | CRYSTAL STRUCTURE OF FAB' FROM THE HIV-1 NEUTRALIZING ANTIBODY 2F5 | | Descriptor: | PROTEIN (ANTIBODY 2F5 (HEAVY CHAIN)), PROTEIN (ANTIBODY 2F5 (LIGHT CHAIN)) | | Authors: | Bryson, S, Julien, J.P, Hynes, R.C, Pai, E.F. | | Deposit date: | 1999-04-08 | | Release date: | 2003-07-15 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Crystallographic definition of the epitope promiscuity of the broadly neutralizing anti-human immunodeficiency virus type 1 antibody 2F5: vaccine design implications.
J.Virol., 83, 2009
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2FDW
 | | Crystal Structure Of Human Microsomal P450 2A6 with the inhibitor (5-(Pyridin-3-yl)furan-2-yl)methanamine bound | | Descriptor: | (5-(PYRIDIN-3-YL)FURAN-2-YL)METHANAMINE, Cytochrome P450 2A6, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Yano, J.K, Stout, C.D, Johnson, E.F. | | Deposit date: | 2005-12-14 | | Release date: | 2006-11-28 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Synthetic Inhibitors of Cytochrome P-450 2A6: Inhibitory Activity, Difference Spectra, Mechanism of Inhibition, and Protein Cocrystallization.
J.Med.Chem., 49, 2006
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2F5B
 | | CRYSTAL STRUCTURE OF FAB' FROM THE HIV-1 NEUTRALIZING ANTIBODY 2F5 IN COMPLEX WITH ITS GP41 EPITOPE | | Descriptor: | PROTEIN (ANTIBODY 2F5 (HEAVY CHAIN)), PROTEIN (ANTIBODY 2F5 (LIGHT CHAIN)), PROTEIN (GP41 EPITOPE) | | Authors: | Bryson, S, Julien, J.P, Hynes, R.C, Pai, E.F. | | Deposit date: | 1999-04-09 | | Release date: | 2003-07-08 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystallographic definition of the epitope promiscuity of the broadly neutralizing anti-human immunodeficiency virus type 1 antibody 2F5: vaccine design implications.
J.Virol., 83, 2009
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2FDU
 | | Microsomal P450 2A6 with the inhibitor N,N-Dimethyl(5-(pyridin-3-yl)furan-2-yl)methanamine bound | | Descriptor: | Cytochrome P450 2A6, N,N-DIMETHYL(5-(PYRIDIN-3-YL)FURAN-2-YL)METHANAMINE, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Yano, J.K, Stout, C.D, Johnson, E.F. | | Deposit date: | 2005-12-14 | | Release date: | 2006-11-28 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Synthetic Inhibitors of Cytochrome P-450 2A6: Inhibitory Activity, Difference Spectra, Mechanism of Inhibition, and Protein Cocrystallization.
J.Med.Chem., 49, 2006
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2F7Z
 | | Protein Kinase A bound to (R)-1-(1H-Indol-3-ylmethyl)-2-(2-pyridin-4-yl-[1,7]naphtyridin-5-yloxy)-ehylamine | | Descriptor: | (1S)-1-(1H-INDOL-3-YLMETHYL)-2-(2-PYRIDIN-4-YL-[1,7]NAPHTYRIDIN-5-YLOXY)-EHYLAMINE, PKI, inhibitory peptide, ... | | Authors: | Li, Q, Woods, K.W, Thomas, S, Zhu, G.D, Packard, G, Fisher, J, Li, T, Gong, J, Dinges, J, Song, X, Abrams, J, Luo, Y, Johnson, E.F, Shi, Y, Liu, X, Klinghofer, V, Des Jong, R, Oltersdorf, T, Stoll, V.S, Jakob, C.G, Rosenberg, S.H, Giranda, V.L. | | Deposit date: | 2005-12-01 | | Release date: | 2006-06-27 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Synthesis and structure-activity relationship of 3,4'-bispyridinylethylenes: discovery of a potent 3-isoquinolinylpyridine inhibitor of protein kinase B (PKB/Akt) for the treatment of cancer.
Bioorg.Med.Chem.Lett., 16, 2006
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2FDV
 | | Microsomal P450 2A6 with the inhibitor N-Methyl(5-(pyridin-3-yl)furan-2-yl)methanamine bound | | Descriptor: | 1,2-ETHANEDIOL, Cytochrome P450 2A6, N-METHYL(5-(PYRIDIN-3-YL)FURAN-2-YL)METHANAMINE, ... | | Authors: | Yano, J.K, Stout, C.D, Johnson, E.F. | | Deposit date: | 2005-12-14 | | Release date: | 2006-11-28 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Synthetic Inhibitors of Cytochrome P-450 2A6: Inhibitory Activity, Difference Spectra, Mechanism of Inhibition, and Protein Cocrystallization.
J.Med.Chem., 49, 2006
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2FDY
 | | Microsomal P450 2A6 with the inhibitor Adrithiol bound | | Descriptor: | 4,4'-DIPYRIDYL DISULFIDE, Cytochrome P450 2A6, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Yano, J.K, Stout, C.D, Johnson, E.F. | | Deposit date: | 2005-12-14 | | Release date: | 2006-11-28 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Synthetic Inhibitors of Cytochrome P-450 2A6: Inhibitory Activity, Difference Spectra, Mechanism of Inhibition, and Protein Cocrystallization.
J.Med.Chem., 49, 2006
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2FSE
 | | Crystallographic structure of a rheumatoid arthritis MHC susceptibility allele, HLA-DR1 (DRB1*0101), complexed with the immunodominant determinant of human type II collagen | | Descriptor: | Collagen alpha-1(II), H-2 class II histocompatibility antigen, E-K alpha chain, ... | | Authors: | Ivey, R.A, Rosloniec, E.F, Whittington, K.B, Kang, A.H, Park, H.W. | | Deposit date: | 2006-01-22 | | Release date: | 2006-09-19 | | Last modified: | 2017-10-18 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Crystallographic Structure of a Rheumatoid Arthritis MHC Susceptibility Allele, HLA-DR1 (DRB1*0101), Complexed with the Immunodominant Determinant of Human Type II Collagen.
J.Immunol., 177, 2006
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2FV2
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2FTP
 | | Crystal Structure of hydroxymethylglutaryl-CoA lyase from Pseudomonas aeruginosa | | Descriptor: | GLYCEROL, SODIUM ION, hydroxymethylglutaryl-CoA lyase | | Authors: | Xiao, T, Evdokimova, E, Liu, Y, Kudritska, M, Savchenko, A, Pai, E.F, Edwards, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2006-01-24 | | Release date: | 2006-03-14 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal Structure of hydroxymethylglutaryl-CoA lyase from Pseudomonas aeruginosa
To be Published
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2JBY
 | | A viral protein unexpectedly mimics the structure and function of pro- survival Bcl-2 | | Descriptor: | BCL-2 HOMOLOGOUS ANTAGONIST/KILLER 2, M11L PROTEIN, SODIUM ION | | Authors: | Kvansakul, M, Van Delft, M.F, Lee, E.F, Gulbis, J.M, Fairlie, W.D, Huang, D.C.S, Colman, P.M. | | Deposit date: | 2006-12-14 | | Release date: | 2007-03-27 | | Last modified: | 2018-06-13 | | Method: | X-RAY DIFFRACTION (2.41 Å) | | Cite: | A structural viral mimic of prosurvival Bcl-2: a pivotal role for sequestering proapoptotic Bax and Bak.
Mol. Cell, 25, 2007
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5TFT
 | | Structure of cytochrome P450 2D6 (CYP2D6) BACE1 inhibitor complex | | Descriptor: | (4S)-4-[2,4-difluoro-5-({[1-(trifluoromethyl)cyclopropyl]amino}methyl)phenyl]-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine, Cytochrome P450 2D6, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Hsu, M.H, Johnson, E.F. | | Deposit date: | 2016-09-26 | | Release date: | 2017-01-11 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.71 Å) | | Cite: | Aminomethyl-Derived Beta Secretase (BACE1) Inhibitors: Engaging Gly230 without an Anilide Functionality.
J. Med. Chem., 60, 2017
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2IDO
 | | Structure of the E. coli Pol III epsilon-Hot proofreading complex | | Descriptor: | 1,2-ETHANEDIOL, DNA polymerase III epsilon subunit, Hot protein, ... | | Authors: | Kirby, T.W, Harvey, S, DeRose, E.F, Chalov, S, Chikova, A.K, Perrino, F.W, Schaaper, R.M, London, R.E, Pedersen, L.C. | | Deposit date: | 2006-09-15 | | Release date: | 2006-11-14 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure of the Escherichia coli DNA polymerase III epsilon-HOT proofreading complex.
J.Biol.Chem., 281, 2006
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2KHX
 | | Drosha double-stranded RNA binding motif | | Descriptor: | Ribonuclease 3 | | Authors: | Mueller, G.A, Miller, M, Ghosh, M, DeRose, E.F, London, R.E, Hall, T. | | Deposit date: | 2009-04-13 | | Release date: | 2010-02-23 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the Drosha double-stranded RNA-binding domain.
Silence, 1, 2010
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5TFU
 | | Structure of cytochrome P450 2D6 (CYP2D6) BACE1 inhibitor complex | | Descriptor: | (4S,6R)-4-[2,4-difluoro-5-({[1-(trifluoromethyl)cyclopropyl]amino}methyl)phenyl]-4,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-2-amine, Cytochrome P450 2D6, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Hsu, M.H, Johnson, E.F. | | Deposit date: | 2016-09-26 | | Release date: | 2017-01-11 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Aminomethyl-Derived Beta Secretase (BACE1) Inhibitors: Engaging Gly230 without an Anilide Functionality.
J. Med. Chem., 60, 2017
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2JRZ
 | | Solution structure of the Bright/ARID domain from the human JARID1C protein. | | Descriptor: | Histone demethylase JARID1C | | Authors: | Koehler, C, Bishop, S, Dowler, E.F, Diehl, A, Schmieder, P, Leidert, M, Sundstrom, M, Arrowsmith, C.H, Wiegelt, J, Edwards, A, Oschkinat, H, Ball, L.J, Structural Genomics Consortium (SGC) | | Deposit date: | 2007-06-29 | | Release date: | 2007-07-10 | | Last modified: | 2024-05-08 | | Method: | SOLUTION NMR | | Cite: | Backbone and sidechain 1H, 13C and 15N resonance assignments of the Bright/ARID domain from the human JARID1C (SMCX) protein.
Biomol.Nmr Assign., 2, 2008
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5VAX
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5VAY
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2GPN
 | | 100 K STRUCTURE OF GLYCOGEN PHOSPHORYLASE AT 2.0 ANGSTROMS RESOLUTION | | Descriptor: | GLYCOGEN PHOSPHORYLASE B | | Authors: | Gregoriou, M, Noble, M.E.M, Watson, K.A, Garman, E.F, Krulle, T.M, De La Fuente, C, Fleet, G.W.J, Oikonomakos, N.G, Johnson, L.N. | | Deposit date: | 1998-03-26 | | Release date: | 1998-07-01 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | The structure of a glycogen phosphorylase glucopyranose spirohydantoin complex at 1.8 A resolution and 100 K: the role of the water structure and its contribution to binding.
Protein Sci., 7, 1998
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2IHY
 | | Structure of the Staphylococcus aureus putative ATPase subunit of an ATP-binding cassette (ABC) transporter | | Descriptor: | ABC transporter, ATP-binding protein, SULFATE ION | | Authors: | McGrath, T.E, Yu, C.S, Romanov, V, Lam, R, Dharamsi, A, Virag, C, Mansoury, K, Thambipillai, D, Richards, D, Guthrie, J, Edwards, A.M, Pai, E.F, Chirgadze, N.Y. | | Deposit date: | 2006-09-27 | | Release date: | 2007-09-18 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of the Staphylococcus aureus putative ATPase subunit of an ATP-binding cassette (ABC) transporter
To be Published
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2HN2
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5VAU
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5T6Q
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2GUU
 | | crystal structure of Plasmodium vivax orotidine 5-monophosphate decarboxylase with 6-aza-UMP bound | | Descriptor: | 6-AZA URIDINE 5'-MONOPHOSPHATE, ODcase | | Authors: | Dong, A, Lew, J, Zhao, Y, Sundararajan, E, Wasney, G, Vedadi, M, Koeieradzki, I, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Sundstrom, M, Pai, E.F, Kotra, L, Bochkarev, A, Hui, R, Amani, M, Structural Genomics Consortium (SGC) | | Deposit date: | 2006-05-01 | | Release date: | 2006-05-16 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Crystal structure of Plasmodium vivax orotidine 5-monophosphate decarboxylase with 6-aza-UMP bound
To be Published
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