5AAU
 
 | | Optimization of a novel binding motif to to (E)-3-(3,5-difluoro-4-((1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-2,3,4,9-tetrahydro-1H- pyrido(3,4-b)indol-1-yl)phenyl)acrylic acid (AZD9496), a potent and orally bioavailable selective estrogen receptor downregulator and antagonist | | Descriptor: | 3-(1-(4-Chlorophenyl)-3,4-dihydro-1H-pyrido(3,4-b)indol-2(9H)-yl)propanoic acid, ESTROGEN RECEPTOR | | Authors: | Norman, R.A, Bradbury, R.H, de Almeida, C, Andrews, D.M, Ballard, P, Buttar, D, Callis, R.J, Currie, G.S, Curwen, J.O, Davies, C.D, de Savi, C, Donald, C.S, Feron, L.J.L, Glossop, S.C, Hayter, B.R, Karoutchi, G, Lamont, S.G, MacFaul, P, Moss, T, Pearson, S.E, Rabow, A.A, Tonge, M, Walker, G.E, Weir, H.M, Wilson, Z. | | Deposit date: | 2015-07-28 | | Release date: | 2015-10-14 | | Last modified: | 2016-10-12 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Optimization of a Novel Binding Motif to (E)-3-(3,5-Difluoro-4-((1R,3R)-2-(2-Fluoro-2-Methylpropyl)-3-Methyl-2, 3,4,9-Tetrahydro-1H-Pyrido[3,4-B]Indol-1-Yl)Phenyl)Acrylic Acid (Azd9496), a Potent and Orally Bioavailable Selective Estrogen Receptor Downregulator and Antagonist.
J.Med.Chem., 58, 2015
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5AAV
 | | Optimization of a novel binding motif to to (E)-3-(3,5-difluoro-4-((1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-2,3,4,9-tetrahydro-1H- pyrido(3,4-b)indol-1-yl)phenyl)acrylic acid (AZD9496), a potent and orally bioavailable selective estrogen receptor downregulator and antagonist | | Descriptor: | (2E)-3-{4-[(1E)-1,2-DIPHENYLBUT-1-ENYL]PHENYL}ACRYLIC ACID, ESTROGEN RECEPTOR | | Authors: | Norman, R.A, Bradbury, R.H, de Almeida, C, Andrews, D.M, Ballard, P, Buttar, D, Callis, R.J, Currie, G.S, Curwen, J.O, Davies, C.D, de Savi, C, Donald, C.S, Feron, L.J.L, Glossop, S.C, Hayter, B.R, Karoutchi, G, Lamont, S.G, MacFaul, P, Moss, T, Pearson, S.E, Rabow, A.A, Tonge, M, Walker, G.E, Weir, H.M, Wilson, Z. | | Deposit date: | 2015-07-29 | | Release date: | 2015-10-14 | | Last modified: | 2016-10-12 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Optimization of a Novel Binding Motif to (E)-3-(3,5-Difluoro-4-((1R,3R)-2-(2-Fluoro-2-Methylpropyl)-3-Methyl-2, 3,4,9-Tetrahydro-1H-Pyrido[3,4-B]Indol-1-Yl)Phenyl)Acrylic Acid (Azd9496), a Potent and Orally Bioavailable Selective Estrogen Receptor Downregulator and Antagonist.
J.Med.Chem., 58, 2015
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1EG0
 | | FITTING OF COMPONENTS WITH KNOWN STRUCTURE INTO AN 11.5 A CRYO-EM MAP OF THE E.COLI 70S RIBOSOME | | Descriptor: | FORMYL-METHIONYL-TRNA, FRAGMENT OF 16S RRNA HELIX 23, FRAGMENT OF 23S RRNA, ... | | Authors: | Gabashvili, I.S, Agrawal, R.K, Spahn, C.M.T, Grassucci, R.A, Svergun, D.I, Frank, J, Penczek, P. | | Deposit date: | 2000-02-11 | | Release date: | 2000-03-06 | | Last modified: | 2024-02-07 | | Method: | ELECTRON MICROSCOPY (11.5 Å) | | Cite: | Solution structure of the E. coli 70S ribosome at 11.5 A resolution.
Cell(Cambridge,Mass.), 100, 2000
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3Q2H
 | | Adamts1 in complex with N-hydroxyformamide inhibitors of ADAM-TS4 | | Descriptor: | A disintegrin and metalloproteinase with thrombospondin motifs 1, CADMIUM ION, MAGNESIUM ION, ... | | Authors: | Gerhardt, S, Hargreaves, D. | | Deposit date: | 2010-12-20 | | Release date: | 2011-03-30 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | The design and synthesis of novel N-hydroxyformamide inhibitors of ADAM-TS4 for the treatment of osteoarthritis
Bioorg.Med.Chem.Lett., 21, 2011
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3Q2G
 | | Adamts1 in complex with a novel N-hydroxyformamide inhibitors | | Descriptor: | A disintegrin and metalloproteinase with thrombospondin motifs 1, CADMIUM ION, MAGNESIUM ION, ... | | Authors: | Gerhardt, S, Hargreaves, D. | | Deposit date: | 2010-12-20 | | Release date: | 2011-03-30 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The design and synthesis of novel N-hydroxyformamide inhibitors of ADAM-TS4 for the treatment of osteoarthritis
Bioorg.Med.Chem.Lett., 21, 2011
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4TPP
 | | 2-(3-alkoxy-1-azetidinyl) quinolines as novel PDE10A inhibitors | | Descriptor: | 1-[4-(3-{[1-(quinolin-2-yl)azetidin-3-yl]oxy}quinoxalin-2-yl)piperidin-1-yl]ethanone, GLYCEROL, SULFATE ION, ... | | Authors: | Chmait, S. | | Deposit date: | 2014-06-09 | | Release date: | 2014-12-17 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Synthesis and preliminary biological evaluation of potent and selective 2-(3-alkoxy-1-azetidinyl) quinolines as novel PDE10A inhibitors with improved solubility.
Bioorg.Med.Chem., 22, 2014
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4TPM
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7SOL
 | | Crystal Structures of the bispecific ubiquitin/FAT10 activating enzyme, Uba6 | | Descriptor: | ADENOSINE MONOPHOSPHATE, INOSITOL HEXAKISPHOSPHATE, Ubiquitin, ... | | Authors: | Olsen, S.K, Gao, F, Lv, Z. | | Deposit date: | 2021-10-31 | | Release date: | 2022-11-02 | | Last modified: | 2024-04-17 | | Method: | X-RAY DIFFRACTION (2.25000644 Å) | | Cite: | Crystal structures reveal catalytic and regulatory mechanisms of the dual-specificity ubiquitin/FAT10 E1 enzyme Uba6.
Nat Commun, 13, 2022
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6Z46
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7JQD
 | | Crystal Structure of PAC1r in complex with peptide antagonist | | Descriptor: | Peptide-43, Pituitary adenylate cyclase-activating polypeptide type I receptor | | Authors: | Piper, D.E, Hu, E, Fang-Tsao, H. | | Deposit date: | 2020-08-10 | | Release date: | 2021-03-24 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Discovery of Selective Pituitary Adenylate Cyclase 1 Receptor (PAC1R) Antagonist Peptides Potent in a Maxadilan/PACAP38-Induced Increase in Blood Flow Pharmacodynamic Model.
J.Med.Chem., 64, 2021
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7L0N
 | | Circulating SARS-CoV-2 spike N439K variants maintain fitness while evading antibody-mediated immunity | | Descriptor: | 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ... | | Authors: | Snell, G, Czudnochowski, N, Dillen, J, Nix, J.C, Croll, T.I, Corti, D. | | Deposit date: | 2020-12-11 | | Release date: | 2021-02-17 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.78 Å) | | Cite: | Circulating SARS-CoV-2 spike N439K variants maintain fitness while evading antibody-mediated immunity.
Cell, 184, 2021
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8QZD
 | | Soluble epoxide hydrolase in complex with Epoxykinin | | Descriptor: | 1,2-ETHANEDIOL, 2-[5-bromanyl-3-[2,2,2-tris(fluoranyl)ethanoyl]indol-1-yl]-N-cycloheptyl-ethanamide, BROMIDE ION, ... | | Authors: | Kumar, A, Ehrler, J.M.H, Ziegler, S, Doetsch, L, Proschak, E, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2023-10-27 | | Release date: | 2024-02-28 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Discovery of the sEH Inhibitor Epoxykynin as a Potent Kynurenine Pathway Modulator.
J.Med.Chem., 67, 2024
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7UVF
 | | Crystal structure of ZED8 Fab complex with CD8 alpha | | Descriptor: | CHLORIDE ION, GLYCEROL, Immunoglobulin heavy chain, ... | | Authors: | Yu, C, Davies, C, Koerber, J.T, Williams, S. | | Deposit date: | 2022-05-01 | | Release date: | 2022-10-12 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Preclinical development of ZED8, an 89 Zr immuno-PET reagent for monitoring tumor CD8 status in patients undergoing cancer immunotherapy.
Eur J Nucl Med Mol Imaging, 50, 2023
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6BR7
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6CWY
 | | Crystal structure of SUMO E1 in complex with an allosteric inhibitor | | Descriptor: | GLYCEROL, MAGNESIUM ION, SULFATE ION, ... | | Authors: | Lv, Z, Yuan, L, Atkison, J.H, Williams, K.M, Olsen, S.K. | | Deposit date: | 2018-04-01 | | Release date: | 2019-01-16 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.462 Å) | | Cite: | Molecular mechanism of a covalent allosteric inhibitor of SUMO E1 activating enzyme.
Nat Commun, 9, 2018
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4MUW
 | | Crystal Structure of PDE10A with Novel Keto-Benzimidazole Inhibitor | | Descriptor: | 2-{4-[(6,7-difluoro-1H-benzimidazol-2-yl)amino]phenoxy}-N-methyl-3,4'-bipyridin-2'-amine, GLYCEROL, SULFATE ION, ... | | Authors: | Chmait, S, Jordan, S. | | Deposit date: | 2013-09-23 | | Release date: | 2013-10-23 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.639 Å) | | Cite: | Design, Optimization, and Biological Evaluation of Novel Keto-Benzimidazoles as Potent and Selective Inhibitors of Phosphodiesterase 10A (PDE10A).
J.Med.Chem., 56, 2013
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4MVH
 | | Crystal Structure of PDE10A with Novel Keto-Benzimidazole Inhibitor | | Descriptor: | 1H-benzimidazol-2-yl(4-{[3-(morpholin-4-yl)pyrazin-2-yl]oxy}phenyl)methanone, SULFATE ION, ZINC ION, ... | | Authors: | Chmait, S, Jordan, S. | | Deposit date: | 2013-09-24 | | Release date: | 2013-10-23 | | Last modified: | 2014-01-15 | | Method: | X-RAY DIFFRACTION (2.496 Å) | | Cite: | Design, Optimization, and Biological Evaluation of Novel Keto-Benzimidazoles as Potent and Selective Inhibitors of Phosphodiesterase 10A (PDE10A).
J.Med.Chem., 56, 2013
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4P0N
 | | Crystal structure of PDE10a with a novel Imidazo[4,5-b]pyridine inhibitor | | Descriptor: | GLYCEROL, N-[cis-3-(2-methoxy-3H-imidazo[4,5-b]pyridin-3-yl)cyclobutyl]-1,3-benzothiazol-2-amine, N-[trans-3-(2-methoxy-3H-imidazo[4,5-b]pyridin-3-yl)cyclobutyl]-1,3-benzothiazol-2-amine, ... | | Authors: | Chmait, S. | | Deposit date: | 2014-02-21 | | Release date: | 2014-10-01 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | Discovery of Novel Imidazo[4,5-b]pyridines as Potent and Selective Inhibitors of Phosphodiesterase 10A (PDE10A).
Acs Med.Chem.Lett., 5, 2014
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4P1R
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1QD7
 | | PARTIAL MODEL FOR 30S RIBOSOMAL SUBUNIT | | Descriptor: | CENTRAL FRAGMENT OF 16 S RNA, END FRAGMENT OF 16 S RNA, S15 RIBOSOMAL PROTEIN, ... | | Authors: | Clemons Jr, W.M, May, J.L.C, Wimberly, B.T, McCutcheon, J.P, Capel, M.S, Ramakrishnan, V. | | Deposit date: | 1999-07-09 | | Release date: | 1999-08-31 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (5.5 Å) | | Cite: | Structure of a bacterial 30S ribosomal subunit at 5.5 A resolution.
Nature, 400, 1999
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487D
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2NAZ
 | | The solution NMR structure of the C-terminal effector domain of BfmR from Acinetobacter baumannii | | Descriptor: | Transcriptional regulatory protein RstA | | Authors: | Olson, A.L, Thompson, R.J, Cavanagh, J, Feldmann, E.A, Bobay, B.G. | | Deposit date: | 2016-01-15 | | Release date: | 2017-01-18 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | The Structure of the Biofilm-controlling Response Regulator BfmR from Acinetobacter baumannii Reveals Details of Its DNA-binding Mechanism.
J.Mol.Biol., 430, 2018
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4PHW
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1XF3
 | | Structure of ligand-free Fab DNA-1 in space group P65 | | Descriptor: | Fab Light chain, Fab heavy chain | | Authors: | Schuermann, J.P, Prewitt, S.P, Deutscher, S.L, Tanner, J.J. | | Deposit date: | 2004-09-13 | | Release date: | 2005-04-12 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Evidence for Structural Plasticity of Heavy Chain Complementarity-determining Region 3 in Antibody-ssDNA Recognition
J.Mol.Biol., 347, 2005
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1XF4
 | | Structure of ligand-free Fab DNA-1 in space group P321 solved from crystals with perfect hemihedral twinning | | Descriptor: | Fab heavy chain, Fab light chain, SULFATE ION | | Authors: | Schuermann, J.P, Prewitt, S.P, Deutscher, S.L, Tanner, J.J. | | Deposit date: | 2004-09-13 | | Release date: | 2005-04-12 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Evidence for Structural Plasticity of Heavy Chain Complementarity-determining Region 3 in Antibody-ssDNA Recognition
J.Mol.Biol., 347, 2005
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