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6PYD
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STRUCTURE OF 3E9 ANTIBODY FAB BOUND TO MARINOBUFAGENIN
Descriptor:3E9 anti-marinobufagenin antibody Fab heavy chain, recloned with human IgG4 C region, 3E9 antibody Fab light chain, ...
Authors:Franklin, M.C., Macdonald, L.E., McWhirter, J., Murphy, A.J.
Deposit date:2019-07-29
Release date:2019-12-25
Last modified:2020-01-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Kappa-on-Heavy (KoH) bodies are a distinct class of fully-human antibody-like therapeutic agents with antigen-binding properties.
Proc.Natl.Acad.Sci.USA, 117, 2020
6PYC
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STRUCTURE OF KAPPA-ON-HEAVY (KOH) ANTIBODY FAB BOUND TO THE CARDIAC HORMONE MARINOBUFAGENIN
Descriptor:KoH body Fab heavy chain, KoH body Fab light chain, anti-kappa antibody Fab heavy chain, ...
Authors:Franklin, M.C., Macdonald, L.E., McWhirter, J., Murphy, A.J.
Deposit date:2019-07-29
Release date:2019-12-25
Last modified:2020-01-22
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Kappa-on-Heavy (KoH) bodies are a distinct class of fully-human antibody-like therapeutic agents with antigen-binding properties.
Proc.Natl.Acad.Sci.USA, 117, 2020
6NZM
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BRUTONS TYROSINE KINASE IN COMPLEX WITH COMPOUND 50.
Descriptor:Tyrosine-protein kinase BTK, N-[2-fluoro-6-(pyrrolidin-1-yl)phenyl]-N'-{3-[(2R)-1-(2-hydroxyethyl)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-2-yl]phenyl}urea, 1,2-ETHANEDIOL
Authors:Marcotte, D.J.
Deposit date:2019-02-14
Release date:2019-06-12
Last modified:2019-06-19
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Optimization of novel reversible Bruton's tyrosine kinase inhibitors identified using Tethering-fragment-based screens.
Bioorg.Med.Chem., 27, 2019
5WIY
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KELCH DOMAIN OF HUMAN KEAP1 BOUND TO SMALL MOLECULE INHIBITOR FRAGMENT: 4-AMINO-1,7-DIHYDRO-6H-PYRAZOLO[3,4-D]PYRIMIDINE-6-THIONE
Descriptor:Kelch-like ECH-associated protein 1, SULFATE ION, 4-amino-1,7-dihydro-6H-pyrazolo[3,4-d]pyrimidine-6-thione
Authors:Carolan, J.P., Lynch, A.J., Allen, K.N.
Deposit date:2017-07-20
Release date:2018-09-26
Last modified:2020-04-01
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Interaction Energetics and Druggability of the Protein-Protein Interaction between Kelch-like ECH-Associated Protein 1 (KEAP1) and Nuclear Factor Erythroid 2 Like 2 (Nrf2).
Biochemistry, 59, 2020
5WHO
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KELCH DOMAIN OF HUMAN KEAP1 BOUND TO SMALL MOLECULE INHIBITOR FRAGMENT: 4-OXO-4H-1-BENZOPYRAN-2-CARBOXYLIC ACID
Descriptor:Kelch-like ECH-associated protein 1, SULFATE ION, 4-oxo-4H-1-benzopyran-2-carboxylic acid
Authors:Carolan, J.P., Lynch, A.J., Allen, K.N.
Deposit date:2017-07-17
Release date:2018-09-19
Last modified:2020-04-01
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Interaction Energetics and Druggability of the Protein-Protein Interaction between Kelch-like ECH-Associated Protein 1 (KEAP1) and Nuclear Factor Erythroid 2 Like 2 (Nrf2).
Biochemistry, 59, 2020
5WHL
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KELCH DOMAIN OF HUMAN KEAP1 BOUND TO INHIBITORY SMALL MOLECULE FRAGMENT: HYDROXYPHENYL PROPIONIC ACID
Descriptor:Kelch-like ECH-associated protein 1, HYDROXYPHENYL PROPIONIC ACID, SULFATE ION
Authors:Carolan, J.P., Lynch, A.J., Allen, K.N.
Deposit date:2017-07-17
Release date:2018-09-19
Last modified:2020-04-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Interaction Energetics and Druggability of the Protein-Protein Interaction between Kelch-like ECH-Associated Protein 1 (KEAP1) and Nuclear Factor Erythroid 2 Like 2 (Nrf2).
Biochemistry, 59, 2020
5WG1
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KELCH DOMAIN OF HUMAN KEAP1 BOUND TO MUTANT NRF2 EAGE PEPTIDE
Descriptor:Kelch-like ECH-associated protein 1, Nrf2 EAGE mutant peptide, SULFATE ION
Authors:Carolan, J.P., Lynch, A.J., Allen, K.N.
Deposit date:2017-07-13
Release date:2018-09-19
Last modified:2020-04-01
Method:X-RAY DIFFRACTION (2.021 Å)
Cite:Interaction Energetics and Druggability of the Protein-Protein Interaction between Kelch-like ECH-Associated Protein 1 (KEAP1) and Nuclear Factor Erythroid 2 Like 2 (Nrf2).
Biochemistry, 59, 2020
5WFV
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KELCH DOMAIN OF HUMAN KEAP1 BOUND TO NRF2 ETGE PEPTIDE
Descriptor:Kelch-like ECH-associated protein 1, Nrf2 ETGE peptide, SULFATE ION
Authors:Carolan, J.P., Lynch, A.J., Allen, K.N.
Deposit date:2017-07-12
Release date:2018-09-19
Last modified:2020-04-01
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Interaction Energetics and Druggability of the Protein-Protein Interaction between Kelch-like ECH-Associated Protein 1 (KEAP1) and Nuclear Factor Erythroid 2 Like 2 (Nrf2).
Biochemistry, 59, 2020
5WFL
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KELCH DOMAIN OF HUMAN KEAP1 IN OPEN UNLIGANDED CONFORMATION
Descriptor:Kelch-like ECH-associated protein 1, SULFATE ION
Authors:Carolan, J.P., Lynch, A.J., Allen, K.N.
Deposit date:2017-07-12
Release date:2018-09-19
Last modified:2020-04-15
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Interaction Energetics and Druggability of the Protein-Protein Interaction between Kelch-like ECH-Associated Protein 1 (KEAP1) and Nuclear Factor Erythroid 2 Like 2 (Nrf2).
Biochemistry, 59, 2020
3D15
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CRYSTAL STRUCTURE OF MOUSE AURORA A (ASN186->GLY, LYS240->ARG, MET302->LEU) IN COMPLEX WITH 1-(3-CHLORO-PHENYL)-3-{5-[2-(THIENO[3,2-D]PYRIMIDIN-4-YLAMINO)- ETHYL]-THIAZOL-2-YL}-UREA [SNS-314]
Descriptor:serine/threonine kinase 6, 1-(3-chlorophenyl)-3-{5-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethyl]-1,3-thiazol-2-yl}urea
Authors:Elling, R.A., Bui, M., Allen, D.A., Oslob, J.D., Romanowski, M.J.
Deposit date:2008-05-04
Release date:2009-05-12
Last modified:2013-06-19
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of a potent and selective aurora kinase inhibitor.
Bioorg.Med.Chem.Lett., 18, 2008
3D14
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CRYSTAL STRUCTURE OF MOUSE AURORA A (ASN186->GLY, LYS240->ARG, MET302->LEU) IN COMPLEX WITH 1-{5-[2-(THIENO[3,2-D]PYRIMIDIN-4-YLAMINO)-ETHYL]- THIAZOL-2-YL}-3-(3-TRIFLUOROMETHYL-PHENYL)-UREA
Descriptor:serine/threonine kinase 6, 1-{5-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethyl]-1,3-thiazol-2-yl}-3-[3-(trifluoromethyl)phenyl]urea
Authors:Elling, R.A., Baskaran, S., Allen, D.A., Oslob, J.D., Romanowski, M.J.
Deposit date:2008-05-04
Release date:2008-08-26
Last modified:2013-06-19
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery of a potent and selective aurora kinase inhibitor.
Bioorg.Med.Chem.Lett., 18, 2008
2FDP
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CRYSTAL STRUCTURE OF BETA-SECRETASE COMPLEXED WITH AN AMINO-ETHYLENE INHIBITOR
Descriptor:Beta-secretase 1, N1-((2S,3S,5R)-3-AMINO-6-(4-FLUOROPHENYLAMINO)-5-METHYL-6-OXO-1-PHENYLHEXAN-2-YL)-N3,N3-DIPROPYLISOPHTHALAMIDE
Authors:Yang, W., Lu, W., Lu, Y., Zhong, M., Sun, J., Thomas, A.E., Wilkinson, J.M., Fucini, R.V., Lam, M., Randal, M., Shi, X.P., Jacobs, J.W., McDowell, R.S., Gordon, E.M., Ballinger, M.D.
Deposit date:2005-12-14
Release date:2006-01-24
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Aminoethylenes: a tetrahedral intermediate isostere yielding potent inhibitors of the aspartyl protease BACE-1.
J.Med.Chem., 49, 2006
1T4J
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ALLOSTERIC INHIBITION OF PROTEIN TYROSINE PHOSPHATASE 1B
Descriptor:Protein-tyrosine phosphatase, non-receptor type 1, 3-(3,5-DIBROMO-4-HYDROXY-BENZOYL)-2-ETHYL-BENZOFURAN-6-SULFONIC ACID [4-(THIAZOL-2-YLSULFAMOYL)-PHENYL]-AMIDE
Authors:Wiesmann, C., Barr, K.J., Kung, J., Zhu, J., Shen, W., Fahr, B.J., Zhong, M., Taylor, L., Randal, M., McDowell, R.S., Hansen, S.K.
Deposit date:2004-04-29
Release date:2004-07-20
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Allosteric inhibition of protein tyrosine phosphatase 1B
Nat.Struct.Mol.Biol., 11, 2004
1T49
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ALLOSTERIC INHIBITION OF PROTEIN TYROSINE PHOSPHATASE 1B
Descriptor:Protein-tyrosine phosphatase, non-receptor type 1, MAGNESIUM ION, ...
Authors:Wiesmann, C., Barr, K.J., Kung, J., Zhu, J., Shen, W., Fahr, B.J., Zhong, M., Taylor, L., Randal, M., McDowell, R.S., Hansen, S.K.
Deposit date:2004-04-28
Release date:2004-07-20
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Allosteric inhibition of protein tyrosine phosphatase 1B.
Nat.Struct.Mol.Biol., 11, 2004
1T48
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ALLOSTERIC INHIBITION OF PROTEIN TYROSINE PHOSPHATASE 1B
Descriptor:Protein-tyrosine phosphatase, non-receptor type 1, 3-(3,5-DIBROMO-4-HYDROXY-BENZOYL)-2-ETHYL-BENZOFURAN-6-SULFONIC ACID DIMETHYLAMIDE
Authors:Wiesmann, C., Barr, K.J., Kung, J., Zhu, J., Shen, W., Fahr, B.J., Zhong, M., Erlanson, D.A., Taylor, L., Randal, M., McDowell, R.S., Hansen, S.K.
Deposit date:2004-04-28
Release date:2004-07-20
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Allosteric inhibition of protein tyrosine phosphatase 1B
Nat.Struct.Mol.Biol., 11, 2004
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数据于2020-07-29公开中