7RBE
 
 | | Human DNA polymerase beta crosslinked binary complex - A | | Descriptor: | 2-deoxy-3,5-di-O-phosphono-D-erythro-pentitol, CITRIC ACID, DNA (5'-D(*CP*CP*GP*AP*CP*GP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), ... | | Authors: | Reed, A.J, Kumar, A. | | Deposit date: | 2021-07-06 | | Release date: | 2022-03-09 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Interlocking activities of DNA polymerase beta in the base excision repair pathway.
Proc.Natl.Acad.Sci.USA, 119, 2022
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7RBF
 | | Human DNA polymerase beta crosslinked binary complex - B | | Descriptor: | 1,2-ETHANEDIOL, 2-deoxy-3,5-di-O-phosphono-D-erythro-pentitol, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Reed, A.J, Kumar, A. | | Deposit date: | 2021-07-06 | | Release date: | 2022-03-09 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Interlocking activities of DNA polymerase beta in the base excision repair pathway.
Proc.Natl.Acad.Sci.USA, 119, 2022
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7RBG
 | | Human DNA polymerase beta crosslinked ternary complex 1 | | Descriptor: | 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, 2-deoxy-3,5-di-O-phosphono-D-erythro-pentitol, CALCIUM ION, ... | | Authors: | Reed, A.J, Kumar, A. | | Deposit date: | 2021-07-06 | | Release date: | 2022-03-09 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Interlocking activities of DNA polymerase beta in the base excision repair pathway.
Proc.Natl.Acad.Sci.USA, 119, 2022
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2FB8
 | | Structure of the B-Raf kinase domain bound to SB-590885 | | Descriptor: | (1Z)-5-(2-{4-[2-(DIMETHYLAMINO)ETHOXY]PHENYL}-5-PYRIDIN-4-YL-1H-IMIDAZOL-4-YL)INDAN-1-ONE OXIME, B-Raf proto-oncogene serine/threonine-protein kinase | | Authors: | Lougheed, J.C, Lee, J, Chau, D.C, Stout, T.J. | | Deposit date: | 2005-12-08 | | Release date: | 2006-12-12 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Demonstration of a genetic therapeutic index for tumors expressing oncogenic BRAF by the kinase inhibitor SB-590885.
Cancer Res., 66, 2006
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4I10
 | | Structure-based design of novel dihydroisoquinoline BACE-1 inhibitors that do not engage the catalytic aspartates | | Descriptor: | 2-{(1S)-1-[(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)amino]-2-phenylethyl}pyrido[4,3-d]pyrimidin-4(1H)-one, Beta-secretase 1, ZINC ION | | Authors: | Lougheed, J.C, Brecht, E, Yao, N.H. | | Deposit date: | 2012-11-19 | | Release date: | 2013-03-06 | | Last modified: | 2013-04-24 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Structure-based design of novel dihydroisoquinoline BACE-1 inhibitors that do not engage the catalytic aspartates.
Bioorg.Med.Chem.Lett., 23, 2013
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6ZOQ
 | | Oestrogen receptor ligand binding domain in complex with compound 16 | | Descriptor: | Estrogen receptor, ~{N}-[4-[(6~{S},8~{R})-7-[(1-fluoranylcyclopropyl)methyl]-8-methyl-2,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]-3-methoxy-phenyl]-1-(3-fluoranylpropyl)azetidin-3-amine | | Authors: | Breed, J. | | Deposit date: | 2020-07-07 | | Release date: | 2021-01-20 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Discovery of AZD9833, a Potent and Orally Bioavailable Selective Estrogen Receptor Degrader and Antagonist.
J.Med.Chem., 63, 2020
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6ZOS
 | | Oestrogen receptor ligand binding domain in complex with compound 18 | | Descriptor: | 6-[(6~{S},8~{R})-7-[(1-fluoranylcyclopropyl)methyl]-8-methyl-2,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]-~{N}-[1-(3-fluoranylpropyl)azetidin-3-yl]pyridin-3-amine, Estrogen receptor | | Authors: | Breed, J. | | Deposit date: | 2020-07-07 | | Release date: | 2021-01-20 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Discovery of AZD9833, a Potent and Orally Bioavailable Selective Estrogen Receptor Degrader and Antagonist.
J.Med.Chem., 63, 2020
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6ZOR
 | | Oestrogen receptor ligand binding domain in complex with compound 28 | | Descriptor: | 6-[(6~{S},8~{R})-8-methyl-7-[2,2,2-tris(fluoranyl)ethyl]-3,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]-~{N}-(1-propylazetidin-3-yl)pyridin-3-amine, Estrogen receptor | | Authors: | Breed, J. | | Deposit date: | 2020-07-07 | | Release date: | 2021-01-20 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Discovery of AZD9833, a Potent and Orally Bioavailable Selective Estrogen Receptor Degrader and Antagonist.
J.Med.Chem., 63, 2020
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4I0Z
 | | Structure-based design of novel dihydroisoquinoline BACE-1 inhibitors that do not engage the catalytic aspartates | | Descriptor: | 2-{(1S)-1-[(6-CHLORO-3,3-DIMETHYL-3,4-DIHYDROISOQUINOLIN-1-YL)AMINO]-2-PHENYLETHYL}-4-OXO-1,4-DIHYDROPYRIMIDINE-5-CARBONITRILE, 2-{(1S)-1-[(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)amino]-2-phenylethyl}-4-oxo-1,4-dihydropyrimidine-5-carbonitrile, ZINC ION | | Authors: | Lougheed, J.C, Brecht, E, Yao, N.H. | | Deposit date: | 2012-11-19 | | Release date: | 2013-03-06 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure-based design of novel dihydroisoquinoline BACE-1 inhibitors that do not engage the catalytic aspartates.
Bioorg.Med.Chem.Lett., 23, 2013
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4I12
 | | Design and synthesis of thiophene dihydroisoquinolins as novel BACE-1 inhibitors | | Descriptor: | 2-{(1S)-1-{[(1Z)-6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene]amino}-2-[2-propyl-4-(1H-pyrazol-4-yl)thiophen-3-yl]ethyl}pyrimidin-4(5H)-one, Beta-secretase 1, SODIUM ION, ... | | Authors: | Lougheed, J.C, Brecht, E, Yao, N.H. | | Deposit date: | 2012-11-19 | | Release date: | 2013-03-06 | | Last modified: | 2018-01-24 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Design and synthesis of thiophene dihydroisoquinolines as novel BACE1 inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
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4I1C
 | | Design and synthesis of thiophene dihydroisoquinolins as novel BACE-1 inhibitors | | Descriptor: | BETA-SECRETASE 1, N-(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)-3-[2-propyl-4-(1H-pyrazol-4-yl)thiophen-3-yl]-L-alanine, ZINC ION | | Authors: | Lougheed, J.C, Brecht, E, Yao, N.H. | | Deposit date: | 2012-11-20 | | Release date: | 2013-03-06 | | Last modified: | 2013-07-03 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Design and synthesis of thiophene dihydroisoquinolines as novel BACE1 inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
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5W8O
 | | Homoserine transacetylase MetX from Mycobacterium hassiacum | | Descriptor: | CALCIUM ION, GLYCEROL, Homoserine O-acetyltransferase, ... | | Authors: | Reed, R.W, Rodriguez, E.S, Li, J, Korotkov, K.V. | | Deposit date: | 2017-06-22 | | Release date: | 2017-07-12 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | Structural analysis of mycobacterial homoserine transacetylases central to methionine biosynthesis reveals druggable active site.
Sci Rep, 9, 2019
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4I1F
 | | Structure of Parkin-S223P E3 ligase | | Descriptor: | BARIUM ION, E3 ubiquitin-protein ligase parkin, ZINC ION | | Authors: | Lougheed, J.C, Brecht, E, Yao, N.H. | | Deposit date: | 2012-11-20 | | Release date: | 2013-06-19 | | Last modified: | 2013-07-03 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Structure and function of Parkin E3 ubiquitin ligase reveals aspects of RING and HECT ligases.
Nat Commun, 4, 2013
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4I1H
 | | Structure of Parkin E3 ligase | | Descriptor: | E3 ubiquitin-protein ligase parkin, ZINC ION | | Authors: | Lougheed, J.C, Brecht, E, Yao, N.H. | | Deposit date: | 2012-11-20 | | Release date: | 2013-06-19 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure and function of Parkin E3 ubiquitin ligase reveals aspects of RING and HECT ligases.
Nat Commun, 4, 2013
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4AWP
 | | Complex of HSP90 ATPase domain with tropane derived inhibitors | | Descriptor: | HEAT SHOCK PROTEIN HSP 90-ALPHA, N-{(3-endo)-8-[5-(benzylcarbamoyl)pyridin-2-yl]-8-azabicyclo[3.2.1]oct-3-yl}-2,5-dimethylbenzene-1,4-dicarboxamide | | Authors: | Lougheed, J.C, Stout, T.J. | | Deposit date: | 2012-06-05 | | Release date: | 2012-08-29 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Discovery of Xl888: A Novel Tropane-Derived Small Molecule Inhibitor of Hsp90.
Bioorg.Med.Chem.Lett., 22, 2012
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6WKR
 | | PRC2-AEBP2-JARID2 bound to H2AK119ub1 nucleosome | | Descriptor: | DNA (314-MER), Histone H2A type 1, Histone H2B 1.1, ... | | Authors: | Kasinath, V, Nogales, E, Beck, C, Sauer, P, Poepsel, S, Kosmatka, J, Faini, M, Toso, D, Aebersold, R. | | Deposit date: | 2020-04-16 | | Release date: | 2021-02-03 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | JARID2 and AEBP2 regulate PRC2 in the presence of H2AK119ub1 and other histone modifications.
Science, 371, 2021
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4U36
 | | Crystal structure of a seed lectin from Vatairea macrocarpa complexed with Tn-antigen | | Descriptor: | 2-acetamido-2-deoxy-alpha-D-galactopyranose, CALCIUM ION, CITRIC ACID, ... | | Authors: | Sousa, B.L, Silva-Filho, J.C, Kumar, P, Lyskowski, A, Bezerra, G.A, Delatorre, P, Rocha, B.A.M, Nagano, C.S, Gruber, K, Cavada, B.S. | | Deposit date: | 2014-07-18 | | Release date: | 2014-12-31 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | High-resolution structure of a new Tn antigen-binding lectin from Vatairea macrocarpa and a comparative analysis of Tn-binding legume lectins.
Int.J.Biochem.Cell Biol., 59C, 2014
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2BUF
 | | Arginine Feed-Back Inhibitable Acetylglutamate Kinase | | Descriptor: | ACETYLGLUTAMATE KINASE, ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ... | | Authors: | Ramon-Maiques, S, Fernandez-Murga, M.L, Vagin, A, Fita, I, Rubio, V. | | Deposit date: | 2005-06-12 | | Release date: | 2005-12-13 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Structural Bases of Feed-Back Control of Arginine Biosynthesis, Revealed by the Structure of Two Hexameric N-Acetylglutamate Kinases, from Thermotoga Maritima and Pseudomonas Aeruginosa
J.Mol.Biol., 356, 2006
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6Q14
 | | Structure of the Salmonella SPI-1 injectisome NC-base | | Descriptor: | Lipoprotein PrgK, Protein InvG, Protein PrgH, ... | | Authors: | Hu, J, Worrall, L.J, Strynadka, N.C.J. | | Deposit date: | 2019-08-02 | | Release date: | 2019-10-23 | | Last modified: | 2024-10-16 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | T3S injectisome needle complex structures in four distinct states reveal the basis of membrane coupling and assembly.
Nat Microbiol, 4, 2019
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6Q16
 | | Focussed refinement of InvGN0N1:PrgHK:SpaPQR:PrgIJ from Salmonella SPI-1 injectisome NC-base | | Descriptor: | Lipoprotein PrgK, Protein InvG, Protein PrgH, ... | | Authors: | Hu, J, Worrall, L.J, Strynadka, N.C.J. | | Deposit date: | 2019-08-02 | | Release date: | 2019-10-23 | | Last modified: | 2020-01-15 | | Method: | ELECTRON MICROSCOPY (4.1 Å) | | Cite: | T3S injectisome needle complex structures in four distinct states reveal the basis of membrane coupling and assembly.
Nat Microbiol, 4, 2019
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7AL9
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5HUD
 | | Non-covalent complex of and DAHP synthase and chorismate mutase from Corynebacterium glutamicum with bound transition state analog | | Descriptor: | 3-Deoxy-D-arabino-heptulosonate 7-phosphate (DAHP) synthase, 8-HYDROXY-2-OXA-BICYCLO[3.3.1]NON-6-ENE-3,5-DICARBOXYLIC ACID, Chorismate mutase, ... | | Authors: | Burschowsky, D, Heim, J.B, Thorbjoernsrud, H.V, Krengel, U. | | Deposit date: | 2016-01-27 | | Release date: | 2017-08-02 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Inter-Enzyme Allosteric Regulation of Chorismate Mutase in Corynebacterium glutamicum: Structural Basis of Feedback Activation by Trp.
Biochemistry, 57, 2018
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7AHU
 | | Anti-FX Fab of mim8 in complex with human FXa | | Descriptor: | Anti-FX Fab of mim8 heavy chain, Anti-FX Fab of mim8 light chain, CALCIUM ION, ... | | Authors: | Johansson, E. | | Deposit date: | 2020-09-25 | | Release date: | 2021-07-07 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | A factor VIIIa-mimetic bispecific antibody, Mim8, ameliorates bleeding upon severe vascular challenge in hemophilia A mice.
Blood, 138, 2021
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7AHV
 | | Anti-FIXa Fab of mim8 in complex with human FIXa | | Descriptor: | CALCIUM ION, Coagulation factor IX, L-alpha-glutamyl-N-{(1S)-4-{[amino(iminio)methyl]amino}-1-[(1S)-2-chloro-1-hydroxyethyl]butyl}glycinamide, ... | | Authors: | Johansson, E. | | Deposit date: | 2020-09-25 | | Release date: | 2021-07-07 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3.11 Å) | | Cite: | A factor VIIIa-mimetic bispecific antibody, Mim8, ameliorates bleeding upon severe vascular challenge in hemophilia A mice.
Blood, 138, 2021
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1RZK
 | | HIV-1 YU2 GP120 ENVELOPE GLYCOPROTEIN COMPLEXED WITH CD4 AND INDUCED NEUTRALIZING ANTIBODY 17B | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ANTIBODY 17B, HEAVY CHAIN, ... | | Authors: | Huang, C.C, Venturi, M, Majeed, S, Moore, M.J, Phogat, S, Zhang, M.-Y, Dimitrov, D.S, Hendrickson, W.A, Robinson, J, Sodroski, J, Wyatt, R, Choe, H, Farzan, M, Kwong, P.D. | | Deposit date: | 2003-12-24 | | Release date: | 2004-02-03 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structural basis of tyrosine sulfation and VH-gene usage in antibodies that recognize the HIV type 1 coreceptor-binding site on gp120
Proc.Natl.Acad.Sci.USA, 101, 2004
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