2B4X
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4CXG
| Regulation of the mammalian elongation cycle by 40S subunit rolling: a eukaryotic-specific ribosome rearrangement | Descriptor: | 18S RRNA - H44, 18S RRNA - H5-H14, 18S RRNA - H8, ... | Authors: | Budkevich, T.V, Giesebrecht, J, Behrmann, E, Loerke, J, Ramrath, D.J.F, Mielke, T, Ismer, J, Hildebrand, P, Tung, C.-S, Nierhaus, K.H, Sanbonmatsu, K.Y, Spahn, C.M.T. | Deposit date: | 2014-04-07 | Release date: | 2014-07-16 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (8.7 Å) | Cite: | Regulation of the Mammalian Elongation Cycle by Subunit Rolling: A Eukaryotic-Specific Ribosome Rearrangement. Cell(Cambridge,Mass.), 158, 2014
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5TA6
| Crystal structure of PLK1 in complex with a novel 5,6-dihydroimidazolo[1,5-f]pteridine inhibitor. | Descriptor: | 4-{[(6R)-7-cyano-5-cyclopentyl-6-ethyl-5,6-dihydroimidazo[1,5-f]pteridin-3-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide, Serine/threonine-protein kinase PLK1, ZINC ION | Authors: | Skene, R.J, Hosfield, D.J. | Deposit date: | 2016-09-09 | Release date: | 2017-02-22 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure-based design and SAR development of 5,6-dihydroimidazolo[1,5-f]pteridine derivatives as novel Polo-like kinase-1 inhibitors. Bioorg. Med. Chem. Lett., 27, 2017
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2BGF
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4BXS
| Crystal Structure of the Prothrombinase Complex from the Venom of Pseudonaja Textilis | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Lechtenberg, B.C, Murray-Rust, T.A, Johnson, D.J.D, Adams, T.E, Krishnaswamy, S, Camire, R.M, Huntington, J.A. | Deposit date: | 2013-07-15 | Release date: | 2013-07-31 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.32 Å) | Cite: | Crystal Structure of the Prothrombinase Complex from the Venom of Pseudonaja Textilis. Blood, 122, 2013
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7S4E
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4ZSL
| MITOGEN ACTIVATED PROTEIN KINASE 7 IN COMPLEX WITH INHIBITOR | Descriptor: | 3-amino-5-[(4-chlorophenyl)amino]-N-[(1S)-1-phenylethyl]-1H-1,2,4-triazole-1-carboxamide, GLYCEROL, Mitogen-activated protein kinase 7 | Authors: | Ogg, D.J, Tucker, J. | Deposit date: | 2015-05-13 | Release date: | 2016-05-04 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Discovery of a novel allosteric inhibitor-binding site in ERK5: comparison with the canonical kinase hinge ATP-binding site. Acta Crystallogr D Struct Biol, 72, 2016
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6W4K
| Crystal structure of Lysine Specific Demethylase 1 (LSD1) with CC-90011 | Descriptor: | 4-[2-(4-aminopiperidin-1-yl)-5-(3-fluoro-4-methoxyphenyl)-1-methyl-6-oxo-1,6-dihydropyrimidin-4-yl]-2-fluorobenzonitrile, FLAVIN-ADENINE DINUCLEOTIDE, Lysine-specific histone demethylase 1A, ... | Authors: | Hosfield, D.J. | Deposit date: | 2020-03-11 | Release date: | 2020-10-21 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.93 Å) | Cite: | Discovery of CC-90011: A Potent and Selective Reversible Inhibitor of Lysine Specific Demethylase 1 (LSD1). J.Med.Chem., 63, 2020
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6W07
| Bruton's tyrosine kinase in complex with compound 1 | Descriptor: | DIMETHYL SULFOXIDE, Tyrosine-protein kinase BTK, ~{N}-[[2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]methyl]-3-propan-2-yloxy-azetidine-1-carboxamide | Authors: | Metrick, C.M, Marcotte, D.J. | Deposit date: | 2020-02-29 | Release date: | 2020-12-16 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | Discovery of BIIB068: A Selective, Potent, Reversible Bruton's Tyrosine Kinase Inhibitor as an Orally Efficacious Agent for Autoimmune Diseases. J.Med.Chem., 63, 2020
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4CXH
| Regulation of the mammalian elongation cycle by 40S subunit rolling: a eukaryotic-specific ribosome rearrangement | Descriptor: | 18S RRNA - H44, 18S RRNA - H5-H14, 18S RRNA - H8, ... | Authors: | Budkevich, T.V, Giesebrecht, J, Behrmann, E, Loerke, J, Ramrath, D.J.F, Mielke, T, Ismer, J, Hildebrand, P, Tung, C.-S, Nierhaus, K.H, Sanbonmatsu, K.Y, Spahn, C.M.T. | Deposit date: | 2014-04-07 | Release date: | 2014-07-16 | Last modified: | 2019-06-26 | Method: | ELECTRON MICROSCOPY (8.9 Å) | Cite: | Regulation of the Mammalian Elongation Cycle by Subunit Rolling: A Eukaryotic-Specific Ribosome Rearrangement. Cell(Cambridge,Mass.), 158, 2014
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1Z5P
| Crystal structure of MTA/AdoHcy nucleosidase with a ligand-free purine binding site | Descriptor: | 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, GLYCEROL, ISOPROPYL ALCOHOL, ... | Authors: | Lee, J.E, Smith, G.D, Horvatin, C, Huang, D.J.T, Cornell, K.A, Riscoe, M.K, Howell, P.L. | Deposit date: | 2005-03-18 | Release date: | 2005-10-04 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural snapshots of MTA/AdoHcy nucleosidase along the reaction coordinate provide insights into enzyme and nucleoside flexibility during catalysis J.Mol.Biol., 352, 2005
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4AEJ
| Crystal structure of Human fibrillar procollagen type III C- propeptide trimer | Descriptor: | CALCIUM ION, COLLAGEN ALPHA-1(III) CHAIN, GLYCEROL | Authors: | Bourhis, J.M, Mariano, N, Zhao, Y, Harlos, K, Jones, E.Y, Moali, C, Aghajari, N, Hulmes, D.J.S. | Deposit date: | 2012-01-11 | Release date: | 2012-09-12 | Last modified: | 2019-04-03 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Structural Basis of Fibrillar Collagen Trimerization and Related Genetic Disorders. Nat.Struct.Mol.Biol., 19, 2012
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5V4X
| Human glucokinase in complex with novel pyrazole activator. | Descriptor: | (2S)-3-cyclohexyl-2-[4-(cyclopentylsulfonyl)-2-oxopyridin-1(2H)-yl]-N-(1,3-thiazol-2-yl)propanamide, Glucokinase, IODIDE ION, ... | Authors: | Skene, R.J, Hosfiled, D.J. | Deposit date: | 2017-03-10 | Release date: | 2017-05-31 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Discovery of potent and orally active 1,4-disubstituted indazoles as novel allosteric glucokinase activators. Bioorg. Med. Chem. Lett., 27, 2017
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1Z5N
| Crystal structure of MTA/AdoHcy nucleosidase Glu12Gln mutant complexed with 5-methylthioribose and adenine | Descriptor: | 5-S-methyl-5-thio-alpha-D-ribofuranose, ADENINE, MTA/SAH nucleosidase | Authors: | Lee, J.E, Smith, G.D, Horvatin, C, Huang, D.J.T, Cornell, K.A, Riscoe, M.K, Howell, P.L. | Deposit date: | 2005-03-18 | Release date: | 2005-10-04 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural snapshots of MTA/AdoHcy nucleosidase along the reaction coordinate provide insights into enzyme and nucleoside flexibility during catalysis J.Mol.Biol., 352, 2005
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4DYY
| Crystal Structure of the Cu-adduct of Human H-Ferritin variant MIC1 | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, ... | Authors: | Tezcan, F.A, Huard, D.J.E. | Deposit date: | 2012-02-29 | Release date: | 2013-01-23 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Re-engineering protein interfaces yields copper-inducible ferritin cage assembly. Nat.Chem.Biol., 9, 2013
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4HFR
| Human 11beta-Hydroxysteroid Dehydrogenase Type 1 in complex with an orally bioavailable acidic inhibitor AZD4017. | Descriptor: | Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, {(3S)-1-[5-(cyclohexylcarbamoyl)-6-(propylsulfanyl)pyridin-2-yl]piperidin-3-yl}acetic acid | Authors: | Ogg, D.J, Gerhardt, S, Hargreaves, D. | Deposit date: | 2012-10-05 | Release date: | 2012-10-17 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.73 Å) | Cite: | Discovery of a Potent, Selective, and Orally Bioavailable Acidic 11 -Hydroxysteroid Dehydrogenase Type 1 (11 -HSD1) Inhibitor: Discovery of 2-[(3S)-1-[5-(Cyclohexylcarbamoyl)-6-propylsulfanylpyridin-2-yl]-3-piperidyl]acetic Acid (AZD4017) J.Med.Chem., 55, 2012
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8FLH
| Bruton's tyrosine kinase in complex with an orthosteric inhibitor | Descriptor: | 2-(3,5-dichloroanilino)-1-{(3R)-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]azepan-1-yl}ethan-1-one, DIMETHYL SULFOXIDE, Tyrosine-protein kinase BTK | Authors: | Metrick, C.M, Marcotte, D.J. | Deposit date: | 2022-12-21 | Release date: | 2023-03-01 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Discovery of structural diverse reversible BTK inhibitors utilized to develop a novel in vivo CD69 and CD86 PK/PD mouse model. Bioorg.Med.Chem.Lett., 80, 2023
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8FLG
| Bruton's tyrosine kinase in complex with an orthosteric inhibitor | Descriptor: | DIMETHYL SULFOXIDE, N~2~-(3-chlorophenyl)-N-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]glycinamide, Tyrosine-protein kinase BTK | Authors: | Metrick, C.M, Marcotte, D.J. | Deposit date: | 2022-12-21 | Release date: | 2023-03-01 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Discovery of structural diverse reversible BTK inhibitors utilized to develop a novel in vivo CD69 and CD86 PK/PD mouse model. Bioorg.Med.Chem.Lett., 80, 2023
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8FLV
| Bruton's tyrosine kinase in complex with compound 34 | Descriptor: | 2-(3,5-dichloroanilino)-1-{(3R)-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}ethan-1-one, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | Authors: | Metrick, C.M, Marcotte, D.J. | Deposit date: | 2022-12-22 | Release date: | 2023-04-05 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Discovery of structural diverse reversible BTK inhibitors utilized to develop a novel in vivo CD69 and CD86 PK/PD mouse model. Bioorg.Med.Chem.Lett., 80, 2023
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1QG9
| SECOND REPEAT (IS2MIC) FROM VOLTAGE-GATED SODIUM CHANNEL | Descriptor: | PROTEIN (SODIUM CHANNEL PROTEIN, BRAIN II ALPHA SUBUNIT) | Authors: | Doak, D.J, Mulvey, D, Kawaguchi, K, Villalain, J, Campbell, I.D. | Deposit date: | 1999-04-22 | Release date: | 1999-04-30 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | Structural studies of synthetic peptides dissected from the voltage-gated sodium channel. J.Mol.Biol., 258, 1996
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1F8Z
| NMR STRUCTURE OF THE SIXTH LIGAND-BINDING MODULE OF THE LDL RECEPTOR | Descriptor: | CALCIUM ION, LOW-DENSITY LIPOPROTEIN RECEPTOR | Authors: | Clayton, D.J, Brereton, I.M, Kroon, P.A, Smith, R. | Deposit date: | 2000-07-05 | Release date: | 2000-10-18 | Last modified: | 2022-02-23 | Method: | SOLUTION NMR | Cite: | Three-dimensional NMR structure of the sixth ligand-binding module of the human LDL receptor: comparison of two adjacent modules with different ligand binding specificities. FEBS Lett., 479, 2000
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4N5I
| Crystal Structure of a C8-C4 Sn3 Inhibited Esterase B from Lactobacillus Rhamnosis | Descriptor: | (2R)-2,3-dibutoxypropyl (R)-octylphosphinate, ACETATE ION, Esterase/lipase | Authors: | Colbert, D.A, Bennett, M.D, Lun, D.J, Loo, T.S, Anderson, B.F, Norris, G.E. | Deposit date: | 2013-10-09 | Release date: | 2014-04-16 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structure of a C8-C4 Sn3 Inhibited Esterase B from Lactobacillus Rhamnosis TO BE PUBLISHED
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4R0E
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