6CHW
 
 | | Estrogen Receptor Alpha Y537S covalently bound to antagonist H3B-5942. | | Descriptor: | 1,2-ETHANEDIOL, 4-[(2-{4-[(1E)-1-(1H-indazol-5-yl)-2-phenylbut-1-en-1-yl]phenoxy}ethyl)amino]-N,N-dimethylbutanamide, DIMETHYL SULFOXIDE, ... | | Authors: | Larsen, N.A. | | Deposit date: | 2018-02-23 | | Release date: | 2018-03-21 | | Last modified: | 2020-02-26 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Discovery of Selective Estrogen Receptor Covalent Antagonists for the Treatment of ER alphaWTand ER alphaMUTBreast Cancer.
Cancer Discov, 8, 2018
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6FTN
 | | mPI3Kd IN COMPLEX WITH AZ2 | | Descriptor: | Phosphor inositol 3 kinase, ~{N}-[5-[2-[(1~{S})-1-cyclopropylethyl]-7-methyl-1-oxidanylidene-3~{H}-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]ethanamide | | Authors: | Petersen, J. | | Deposit date: | 2018-02-22 | | Release date: | 2018-06-20 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Discovery of Highly Isoform Selective Orally Bioavailable Phosphoinositide 3-Kinase (PI3K)-gamma Inhibitors.
J. Med. Chem., 61, 2018
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6Y7Q
 | | Crystal Structure of the N-terminal PAS domain from the hERG3 Potassium Channel | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, Potassium voltage-gated channel subfamily H member 7 | | Authors: | Cresser-Brown, J, Raven, E, Moody, P. | | Deposit date: | 2020-03-02 | | Release date: | 2020-08-12 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.39 Å) | | Cite: | Discovery of a heme-binding domain in a neuronal voltage-gated potassium channel.
J.Biol.Chem., 295, 2020
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5IWG
 | | HDAC2 WITH LIGAND BRD4884 | | Descriptor: | 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Steinbacher, S. | | Deposit date: | 2016-03-22 | | Release date: | 2016-08-31 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | Kinetic and structural insights into the binding of histone deacetylase 1 and 2 (HDAC1, 2) inhibitors.
Bioorg.Med.Chem., 24, 2016
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5IX0
 | | HDAC2 WITH LIGAND BRD7232 | | Descriptor: | (3-exo)-N-(4-amino-4'-fluoro[1,1'-biphenyl]-3-yl)-8-oxabicyclo[3.2.1]octane-3-carboxamide, 1,2-ETHANEDIOL, 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, ... | | Authors: | Steinbacher, S. | | Deposit date: | 2016-03-23 | | Release date: | 2016-08-31 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Kinetic and structural insights into the binding of histone deacetylase 1 and 2 (HDAC1, 2) inhibitors.
Bioorg.Med.Chem., 24, 2016
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6MX8
 | | Crystal structure of anaplastic lymphoma kinase (ALK) bound by Brigatinib | | Descriptor: | 5-chloro-N~4~-[2-(dimethylphosphoryl)phenyl]-N~2~-{2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl}pyrimidine-2,4-diamine, ALK tyrosine kinase receptor | | Authors: | Dougan, D.R, Zhou, T. | | Deposit date: | 2018-10-30 | | Release date: | 2018-12-12 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Discovery of Brigatinib (AP26113), a Phosphine Oxide-Containing, Potent, Orally Active Inhibitor of Anaplastic Lymphoma Kinase.
J. Med. Chem., 59, 2016
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6NSI
 | | Crystal structure of Fe(III)-bound YtgA from Chlamydia trachomatis | | Descriptor: | CALCIUM ION, FE (III) ION, Manganese-binding protein, ... | | Authors: | Luo, Z, Campbell, R, Begg, S.L, Kobe, B, McDevitt, C.A. | | Deposit date: | 2019-01-24 | | Release date: | 2019-10-30 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.00006342 Å) | | Cite: | Structure and Metal Binding Properties of Chlamydia trachomatis YtgA.
J.Bacteriol., 202, 2019
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2MVF
 | | Structural insight into an essential assembly factor network on the pre-ribosome | | Descriptor: | Uncharacterized protein | | Authors: | Lee, W, Bassler, J, Paternoga, H, Holdermann, I, Thomas, M, Granneman, S, Barrio-Garcia, C, Nyarko, A, Stier, G, Clark, S.A, Schraivogel, D, Kallas, M, Beckmann, R, Tollervey, D, Barbar, E, Sinning, I, Hurt, E. | | Deposit date: | 2014-10-02 | | Release date: | 2014-12-03 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | A network of assembly factors is involved in remodeling rRNA elements during preribosome maturation.
J.Cell Biol., 207, 2014
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4IMK
 | | Uncrossed Fab binding to human Angiopoietin 2 | | Descriptor: | GLYCEROL, Heavy Chain, Light Chain, ... | | Authors: | Fenn, S, Schiller, C, Griese, J.J, Hopfner, K.-P, Kettenberger, H. | | Deposit date: | 2013-01-03 | | Release date: | 2013-04-17 | | Last modified: | 2013-05-22 | | Method: | X-RAY DIFFRACTION (2.202 Å) | | Cite: | Crystal Structure of an Anti-Ang2 CrossFab Demonstrates Complete Structural and Functional Integrity of the Variable Domain.
Plos One, 8, 2013
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4IML
 | | CrossFab binding to human Angiopoietin 2 | | Descriptor: | Crossed heavy chain (VH-Ckappa), Crossed light chain (VL-CH1), GLYCEROL | | Authors: | Fenn, S, Schiller, C, Griese, J, Hopfner, K.-P, Kettenberger, H. | | Deposit date: | 2013-01-03 | | Release date: | 2013-04-17 | | Last modified: | 2013-05-22 | | Method: | X-RAY DIFFRACTION (2.931 Å) | | Cite: | Crystal Structure of an Anti-Ang2 CrossFab Demonstrates Complete Structural and Functional Integrity of the Variable Domain.
Plos One, 8, 2013
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3IK3
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2UUE
 | | REPLACE: A strategy for Iterative Design of Cyclin Binding Groove Inhibitors | | Descriptor: | 1-(3,5-DICHLOROPHENYL)-5-METHYL-1H-1,2,4-TRIAZOLE-3-CARBOXYLIC ACID, 4-METHYL-5-{(2E)-2-[(4-MORPHOLIN-4-YLPHENYL)IMINO]-2,5-DIHYDROPYRIMIDIN-4-YL}-1,3-THIAZOL-2-AMINE, CELL DIVISION PROTEIN KINASE 2, ... | | Authors: | Andrews, M.J, Kontopidis, G, McInnes, C, Plater, A, Innes, L, Cowan, A, Jewsbury, P, Fischer, P.M. | | Deposit date: | 2007-03-02 | | Release date: | 2007-03-27 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | Replace: A Strategy for Iterative Design of Cyclin- Binding Groove Inhibitors
Chembiochem, 7, 2006
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2V22
 | | REPLACE: A strategy for Iterative Design of Cyclin Binding Groove Inhibitors | | Descriptor: | CELL DIVISION PROTEIN KINASE 2, CYCLIN-A2, N~2~-{[1-(4-CHLOROPHENYL)-5-METHYL-1H-1,2,4-TRIAZOL-3-YL]CARBONYL}-N~5~-(DIAMINOMETHYLIDENE)-L-ORNITHYL-L-LEUCYL-L-ISOLEUCYL-4-FLUORO-L-PHENYLALANINAMIDE | | Authors: | Andrews, M.J, Kontopidis, G, McInnes, C, Plater, A, Innes, L, Cowan, A, Jewsbury, P, Fischer, P.M. | | Deposit date: | 2007-05-31 | | Release date: | 2008-01-29 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Replace: A Strategy for Iterative Design of Cyclin- Binding Groove Inhibitors
Chembiochem, 7, 2006
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