6LXY
 
 | | IRAK4 in complex with inhibitor | | Descriptor: | Interleukin-1 receptor-associated kinase 4, N-[(2R)-2-fluoranyl-3-methyl-3-oxidanyl-butyl]-6-[(6-fluoranylpyrazolo[1,5-a]pyrimidin-5-yl)amino]-4-(propan-2-ylamino)pyridine-3-carboxamide, SULFATE ION | | Authors: | Ghosh, K, Bose, S. | | Deposit date: | 2020-02-12 | | Release date: | 2020-11-25 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | Optimization of Nicotinamides as Potent and Selective IRAK4 Inhibitors with Efficacy in a Murine Model of Psoriasis.
Acs Med.Chem.Lett., 11, 2020
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5QTZ
 | | TGF-BETA RECEPTOR TYPE 1 KINASE DOMAIN (T204D) IN COMPLEX WITH 6-[1-(2,2-DIFLUOROETHYL)-4-(6-METHYLPYRIDIN-2-YL)-1H-IMIDAZOL-5-YL]IMIDAZO[1,2-A]PYRIDINE | | Descriptor: | 6-[1-(2,2-difluoroethyl)-4-(6-methylpyridin-2-yl)-1H-imidazol-5-yl]imidazo[1,2-a]pyridine, GLYCEROL, TGF-beta receptor type-1 | | Authors: | Sheriff, S. | | Deposit date: | 2019-11-19 | | Release date: | 2020-02-05 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Discovery of BMS-986260, a Potent, Selective, and Orally Bioavailable TGF beta R1 Inhibitor as an Immuno-oncology Agent.
Acs Med.Chem.Lett., 11, 2020
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5QU0
 | | TGF-BETA RECEPTOR TYPE 1 KINASE DOMAIN (T204D) IN COMPLEX WITH 6-[4-(3-CHLORO-4-FLUOROPHENYL)-1-(2-HYDROXYETHYL)-1H-IMIDAZOL-5-YL]IMIDAZO[1,2-B]PYRIDAZINE-3-CARBONITRILE | | Descriptor: | 6-[4-(3-chloro-4-fluorophenyl)-1-(2-hydroxyethyl)-1H-imidazol-5-yl]imidazo[1,2-b]pyridazine-3-carbonitrile, GLYCEROL, TGF-beta receptor type-1 | | Authors: | Sheriff, S. | | Deposit date: | 2019-11-19 | | Release date: | 2020-02-05 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | Discovery of BMS-986260, a Potent, Selective, and Orally Bioavailable TGF beta R1 Inhibitor as an Immuno-oncology Agent.
Acs Med.Chem.Lett., 11, 2020
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6CPW
 | | Discovery of 3(S)-thiomethyl pyrrolidine ERK inhibitors for oncology | | Descriptor: | (3S)-N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-(methylsulfanyl)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]piperazin-1-yl}ethyl)pyrrolidine-3-carboxamide, Mitogen-activated protein kinase 1, SULFATE ION | | Authors: | Hruza, A, Hruza, A. | | Deposit date: | 2018-03-14 | | Release date: | 2018-05-23 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Discovery of 3(S)-thiomethyl pyrrolidine ERK inhibitors for oncology.
Bioorg. Med. Chem. Lett., 28, 2018
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7U8D
 | | FKBP12 mutant V55G bound to Rapa*-3Z | | Descriptor: | (3S,5Z,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,30R,34aS)-5-(ethoxyimino)-9,27-dihydroxy-3-{(2R)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl}-10,21-dimethoxy-6,8,12,14,20,26-hexamethyl-5,6,9,10,12,13,14,21,22,23,24,25,26,27,32,33,34,34a-octadecahydro-3H-23,27-epoxypyrido[2,1-c][1,4]oxazacyclohentriacontine-1,11,28,29(4H,31H)-tetrone, GLYCEROL, Peptidyl-prolyl cis-trans isomerase FKBP1A | | Authors: | Wassarman, D.R, Shokat, K.M. | | Deposit date: | 2022-03-08 | | Release date: | 2022-09-21 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.39 Å) | | Cite: | Tissue-restricted inhibition of mTOR using chemical genetics.
Proc.Natl.Acad.Sci.USA, 119, 2022
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1EKS
 | | ASP128ALA VARIANT OF MOAC PROTEIN FROM E. COLI | | Descriptor: | L(+)-TARTARIC ACID, MOLYBDENUM COFACTOR BIOSYNTHESIS PROTEIN C | | Authors: | Schindelin, H, Liu, M.T.W, Wuebbens, M.M, Rajagopalan, K.V. | | Deposit date: | 2000-03-09 | | Release date: | 2000-09-20 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Insights into molybdenum cofactor deficiency provided by the crystal structure of the molybdenum cofactor biosynthesis protein MoaC.
Structure Fold.Des., 8, 2000
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1EKR
 | | MOAC PROTEIN FROM E. COLI | | Descriptor: | MOLYBDENUM COFACTOR BIOSYNTHESIS PROTEIN C | | Authors: | Schindelin, H, Liu, M.T.W, Wuebbens, M.M, Rajagopalan, K.V. | | Deposit date: | 2000-03-09 | | Release date: | 2000-09-20 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Insights into molybdenum cofactor deficiency provided by the crystal structure of the molybdenum cofactor biosynthesis protein MoaC.
Structure Fold.Des., 8, 2000
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6VQL
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6URC
 | | Crystal structure of IRE1a in complex with compound 18 | | Descriptor: | 2-chloro-N-(6-methyl-5-{[3-(2-{[(3S)-piperidin-3-yl]amino}pyrimidin-4-yl)pyridin-2-yl]oxy}naphthalen-1-yl)benzene-1-sulfonamide, GLYCEROL, Serine/threonine-protein kinase/endoribonuclease IRE1 | | Authors: | Wallweber, H.H, Wang, W. | | Deposit date: | 2019-10-23 | | Release date: | 2019-11-06 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Disruption of IRE1 alpha through its kinase domain attenuates multiple myeloma.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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4DG1
 | | Crystal structure of HIV-1 reverse transcriptase (RT) with polymorphism mutation K172A and K173A | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Tu, X, Kirby, K.A, Marchand, B, Sarafianos, S.G. | | Deposit date: | 2012-01-24 | | Release date: | 2012-06-20 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | HIV-1 Reverse Transcriptase (RT) Polymorphism 172K Suppresses the Effect of Clinically Relevant Drug Resistance Mutations to Both Nucleoside and Non-nucleoside RT Inhibitors.
J.Biol.Chem., 287, 2012
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1DG6
 | | CRYSTAL STRUCTURE OF APO2L/TRAIL | | Descriptor: | APO2L/TNF-RELATED APOPOTIS INDUCING LIGAND (TRAIL), CHLORIDE ION, ZINC ION | | Authors: | Hymowitz, S.G, O'ConnelL, M.P, Ultsch, M.H, de Vos, A.M, Kelley, R.F. | | Deposit date: | 1999-11-23 | | Release date: | 2000-01-26 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | A unique zinc-binding site revealed by a high-resolution X-ray structure of homotrimeric Apo2L/TRAIL.
Biochemistry, 39, 2000
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6C7O
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6C7K
 | | Crystal structure of an ACO/RPE65 chimera | | Descriptor: | Apocarotenoid-15,15'-oxygenase, CHLORIDE ION, FE (II) ION | | Authors: | Kiser, P.D, Shi, W. | | Deposit date: | 2018-01-22 | | Release date: | 2018-04-25 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Insights into the pathogenesis of dominant retinitis pigmentosa associated with a D477G mutation in RPE65.
Hum.Mol.Genet., 27, 2018
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6C7P
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3MZS
 | | Crystal Structure of Cytochrome P450 CYP11A1 in complex with 22-hydroxy-cholesterol | | Descriptor: | (3alpha,8alpha,22R)-cholest-5-ene-3,22-diol, Cholesterol side-chain cleavage enzyme, ISOPROPYL ALCOHOL, ... | | Authors: | Stout, C.D, Annalora, A, Mast, N, Pikuleva, I. | | Deposit date: | 2010-05-12 | | Release date: | 2010-12-15 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural Basis for Three-step Sequential Catalysis by the Cholesterol Side Chain Cleavage Enzyme CYP11A1.
J.Biol.Chem., 286, 2011
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7S4G
 | | Fab fragment bound to the Cter peptide of Ly6G6D | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, Lymphocyte antigen 6 complex locus protein G6d, ... | | Authors: | Rouge, L, Lupardus, P. | | Deposit date: | 2021-09-08 | | Release date: | 2022-04-13 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Novel Anti-LY6G6D/CD3 T-Cell-Dependent Bispecific Antibody for the Treatment of Colorectal Cancer.
Mol.Cancer Ther., 21, 2022
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2AEW
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4OD2
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3GRW
 | | FGFR3 in complex with a Fab | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab heavy chain, Fab light chain, ... | | Authors: | Wiesmann, C. | | Deposit date: | 2009-03-26 | | Release date: | 2009-05-05 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Antibody-based targeting of FGFR3 in bladder carcinoma and t(4;14)-positive multiple myeloma in mice.
J.Clin.Invest., 119, 2009
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7F1W
 | | X-ray crystal structure of visual arrestin complexed with inositol hexaphosphate | | Descriptor: | INOSITOL HEXAKISPHOSPHATE, S-arrestin | | Authors: | Kang, M, Jang, K, Eger, B.T, Ernst, O.P, Choe, H.W, Kim, Y.J. | | Deposit date: | 2021-06-10 | | Release date: | 2021-10-27 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.097 Å) | | Cite: | Structural evidence for visual arrestin priming via complexation of phosphoinositols.
Structure, 30, 2022
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7F1X
 | | X-ray crystal structure of visual arrestin complexed with inositol 1,4,5-triphosphate | | Descriptor: | 1,2-ETHANEDIOL, D-MYO-INOSITOL-1,4,5-TRIPHOSPHATE, PENTANEDIAL, ... | | Authors: | Jang, K, Kang, M, Eger, B.T, Choe, H.W, Ernst, O.P, Kim, Y.J. | | Deposit date: | 2021-06-10 | | Release date: | 2021-10-27 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural evidence for visual arrestin priming via complexation of phosphoinositols.
Structure, 30, 2022
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3P11
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3QC9
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3P0V
 | | anti-EGFR/HER3 Fab DL11 alone | | Descriptor: | CALCIUM ION, Fab DL11 heavy chain, Fab DL11 light chain | | Authors: | Eigenbrot, C, Shia, S. | | Deposit date: | 2010-09-29 | | Release date: | 2011-10-19 | | Last modified: | 2024-11-27 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | A two-in-one antibody against HER3 and EGFR has superior inhibitory activity compared with monospecific antibodies.
Cancer Cell, 20, 2011
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3P0Y
 | | anti-EGFR/HER3 Fab DL11 in complex with domain III of EGFR extracellular region | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Epidermal growth factor receptor, ... | | Authors: | Eigenbrot, C, Shia, S. | | Deposit date: | 2010-09-29 | | Release date: | 2011-10-26 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | A two-in-one antibody against HER3 and EGFR has superior inhibitory activity compared with monospecific antibodies.
Cancer Cell, 20, 2011
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