5TN8
 
 | | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with (E)-4'-hydroxy-3-((hydroxyiminio)methyl)-[1,1'-biphenyl]-4-olate | | Descriptor: | 3-[(Z)-(hydroxyimino)methyl][1,1'-biphenyl]-4,4'-diol, Estrogen receptor, Nuclear receptor coactivator 2 | | Authors: | Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Nowak, J, Kojetin, D.J, Minutolo, F, Elemento, O, Katzenellenbogen, J.A, Nettles, K.W. | | Deposit date: | 2016-10-13 | | Release date: | 2017-01-18 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.652 Å) | | Cite: | Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies.
Cell Chem Biol, 24, 2017
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5JBD
 | | 4,6-alpha-glucanotransferase GTFB from Lactobacillus reuteri 121 | | Descriptor: | ACETATE ION, CALCIUM ION, GLYCEROL, ... | | Authors: | Pijning, T, Dijkstra, B.W, Bai, Y, Gangoiti-Munecas, J, Dijkhuizen, L. | | Deposit date: | 2016-04-13 | | Release date: | 2017-01-18 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal Structure of 4,6-alpha-Glucanotransferase Supports Diet-Driven Evolution of GH70 Enzymes from alpha-Amylases in Oral Bacteria.
Structure, 25, 2017
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8K6P
 | | Crystal structure of SHARPIN LTM motif | | Descriptor: | Sharpin | | Authors: | Yan, Z, Pan, L.F. | | Deposit date: | 2023-07-25 | | Release date: | 2024-07-03 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Mechanistic insights into the homo-dimerization of HOIL-1L and SHARPIN.
Biochem.Biophys.Res.Commun., 689, 2023
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5U4L
 | | RTA-V1C7_G29R-high-salt | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, PHOSPHATE ION, ... | | Authors: | Rudolph, M.J, Mantis, N. | | Deposit date: | 2016-12-05 | | Release date: | 2017-12-13 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Using homology modeling to interrogate binding affinity in neutralization of ricin toxin by a family of single domain antibodies.
Proteins, 85, 2017
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5ICD
 | | REGULATION OF AN ENZYME BY PHOSPHORYLATION AT THE ACTIVE SITE | | Descriptor: | ISOCITRATE DEHYDROGENASE, ISOCITRIC ACID, MAGNESIUM ION | | Authors: | Hurley, J.H, Dean, A.M, Sohl, J.L, Koshlandjunior, D.E, Stroud, R.M. | | Deposit date: | 1990-05-30 | | Release date: | 1991-10-15 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Regulation of an enzyme by phosphorylation at the active site.
Science, 249, 1990
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8Q5P
 | | Structure of the lysine methyltransferase SETD2 in complex with a peptide derived from human tyrosine kinase ACK1 | | Descriptor: | Activated CDC42 kinase 1, Histone-lysine N-methyltransferase SETD2, S-ADENOSYLMETHIONINE, ... | | Authors: | Mechaly, A, Le Coadou, L, Dupret, J.M, Haouz, A, Rodrigues Lima, F. | | Deposit date: | 2023-08-09 | | Release date: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (1.814 Å) | | Cite: | Structural and enzymatic evidence for the methylation of the ACK1 tyrosine kinase by the histone lysine methyltransferase SETD2.
Biochem.Biophys.Res.Commun., 695, 2024
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4BJB
 | | Crystal structure of human tankyrase 2 in complex with PJ-34 | | Descriptor: | GLYCEROL, N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE, SULFATE ION, ... | | Authors: | Haikarainen, T, Narwal, M, Lehtio, L. | | Deposit date: | 2013-04-17 | | Release date: | 2013-12-11 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Evaluation and Structural Basis for the Inhibition of Tankyrases by Parp Inhibitors.
Acs Med.Chem.Lett., 5, 2014
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5U30
 | | Crystal structure of AacC2c1-sgRNA-extended target DNA ternary complex | | Descriptor: | CRISPR-associated endonuclease C2c1, Non-target DNA strand, SULFATE ION, ... | | Authors: | Yang, H, Gao, P, Rajashankar, K.R, Patel, D.J. | | Deposit date: | 2016-12-01 | | Release date: | 2017-01-25 | | Last modified: | 2020-01-01 | | Method: | X-RAY DIFFRACTION (2.92 Å) | | Cite: | PAM-Dependent Target DNA Recognition and Cleavage by C2c1 CRISPR-Cas Endonuclease.
Cell, 167, 2016
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5TUG
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5U2D
 | | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in complex with Oxabicyclic Heptene Sulfonate (OBHS) | | Descriptor: | Estrogen receptor, Nuclear receptor coactivator 2, cyclohexa-2,5-dien-1-yl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate | | Authors: | Nwachukwu, J.C, Erumbi, R, Nowak, J, Carlson, K.E, Katzenellenbogen, J.A, Izard, T, Nettles, K.W. | | Deposit date: | 2016-11-30 | | Release date: | 2017-04-05 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Structural and Molecular Mechanisms of Cytokine-Mediated Endocrine Resistance in Human Breast Cancer Cells.
Mol. Cell, 65, 2017
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5JBE
 | | 4,6-alpha-glucanotransferase GTFB from Lactobacillus reuteri 121 complexed with an isomalto-maltopentasaccharide | | Descriptor: | ACETATE ION, CALCIUM ION, Inactive glucansucrase, ... | | Authors: | Pijning, T, Dijkstra, B.W, Bai, Y, Gangoiti-Munecas, J, Dijkhuizen, L. | | Deposit date: | 2016-04-13 | | Release date: | 2017-01-18 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal Structure of 4,6-alpha-Glucanotransferase Supports Diet-Driven Evolution of GH70 Enzymes from alpha-Amylases in Oral Bacteria.
Structure, 25, 2017
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5UDH
 | | HHARI/ARIH1-UBCH7~Ubiquitin | | Descriptor: | E3 ubiquitin-protein ligase ARIH1, Ubiquitin C variant, Ubiquitin-conjugating enzyme E2 L3, ... | | Authors: | Miller, D.J, Schulman, B.A. | | Deposit date: | 2016-12-27 | | Release date: | 2017-06-14 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (3.24 Å) | | Cite: | Structural Studies of HHARI/UbcH7Ub Reveal Unique E2Ub Conformational Restriction by RBR RING1.
Structure, 25, 2017
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5TUH
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5JBF
 | | 4,6-alpha-glucanotransferase GTFB (D1015N mutant) from Lactobacillus reuteri 121 complexed with maltopentaose | | Descriptor: | CALCIUM ION, Inactive glucansucrase, SULFATE ION, ... | | Authors: | Pijning, T, Dijkstra, B.W, Bai, Y, Gangoiti-Munecas, J, Dijkhuizen, L. | | Deposit date: | 2016-04-13 | | Release date: | 2017-01-18 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | Crystal Structure of 4,6-alpha-Glucanotransferase Supports Diet-Driven Evolution of GH70 Enzymes from alpha-Amylases in Oral Bacteria.
Structure, 25, 2017
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5TLX
 | | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with 3,4-bis(4-hydroxyphenyl)thiophene 1,1-dioxide | | Descriptor: | 3,4-bis(4-hydroxyphenyl)-2,5-dihydro-1H-1lambda~6~-thiophene-1,1-dione, 3-methyl-6-phenyl-3H-imidazo[4,5-b]pyridin-2-amine, Estrogen receptor, ... | | Authors: | Nwachukwu, J.C, Erumbi, R, Srinivasan, S, Bruno, N.E, Nowak, J, Izard, T, Kojetin, D.J, Elemento, O, Katzenellenbogen, J.A, Nettles, K.W. | | Deposit date: | 2016-10-12 | | Release date: | 2017-01-18 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.103 Å) | | Cite: | Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies.
Cell Chem Biol, 24, 2017
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5TM6
 | | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the OBHS-ASC compound, 6-(4-((1R,4S,6R)-6-((4-bromophenoxy)sulfonyl)-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl)phenoxy)hexanoic acid | | Descriptor: | 6-{4-[(1S,4S,6R)-6-[(4-bromophenoxy)sulfonyl]-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl]phenoxy}hexanoic acid, Estrogen receptor, Nuclear receptor coactivator 2 | | Authors: | Nwachukwu, J.C, Erumbi, R, Srinivasan, S, Bruno, N.E, Nowak, J, Izard, T, Kojetin, D.J, Elemento, O, Katzenellenbogen, J.A, Nettles, K.W. | | Deposit date: | 2016-10-12 | | Release date: | 2017-01-18 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.542 Å) | | Cite: | Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies.
Cell Chem Biol, 24, 2017
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5TMT
 | | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with 4,4'-((1,3-dihydro-2H-inden-2-ylidene)methylene)diphenol | | Descriptor: | 4,4'-[(1,3-dihydro-2H-inden-2-ylidene)methylene]diphenol, Estrogen receptor, Nuclear receptor coactivator 2 | | Authors: | Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Nowak, J, Kojetin, D.J, Elemento, O, Katzenellenbogen, J.A, Nettles, K.W. | | Deposit date: | 2016-10-13 | | Release date: | 2017-01-18 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.051 Å) | | Cite: | Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies.
Cell Chem Biol, 24, 2017
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5TN6
 | | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the Spiro BC-estradiol, (1S,1'S,3a'S,7a'S)-7a'-methyl-1',2,2',3,3',3a',4',6',7',7a'-decahydro-1,5'-spirobi[indene]-1',5-diol | | Descriptor: | (1S,1'S,3a'S,7a'S)-7a'-methyl-1',2,2',3,3',3a',4',6',7',7a'-decahydro-1,5'-spirobi[indene]-1',5-diol, Estrogen receptor, Nuclear receptor coactivator 2 | | Authors: | Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Nowak, J, Kojetin, D.J, Elemento, O, Katzenellenbogen, J.A, Nettles, K.W. | | Deposit date: | 2016-10-13 | | Release date: | 2017-01-18 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.091 Å) | | Cite: | Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies.
Cell Chem Biol, 24, 2017
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5TCO
 | | Human p38 MAP Kinase in Complex with Dibenzosuberone Compound 1 | | Descriptor: | 3-[(3-benzamido-4-fluoranyl-phenyl)amino]-~{N}-(2-morpholin-4-ylethyl)-11-oxidanylidene-5,6-dihydrodibenzo[1,2-~{d}:1',2'-~{f}][7]annulene-9-carboxamide, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | | Authors: | Mayer-Wrangowski, S.C, Rauh, D. | | Deposit date: | 2016-09-15 | | Release date: | 2017-04-19 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Optimized Target Residence Time: Type I1/2 Inhibitors for p38 alpha MAP Kinase with Improved Binding Kinetics through Direct Interaction with the R-Spine.
Angew. Chem. Int. Ed. Engl., 56, 2017
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5TJ7
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5TLM
 | | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with 4,4',4''-(thiophene-2,3,5-triyl)triphenol | | Descriptor: | 4,4',4''-(thiene-2,3,5-triyl)triphenol, Estrogen receptor, NUCLEAR RECEPTOR COACTIVATOR 2 | | Authors: | Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Nowak, J, Kojetin, D.J, Elemento, O, Katzenellenbogen, J.A, Nettles, K.W. | | Deposit date: | 2016-10-11 | | Release date: | 2017-01-18 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.497 Å) | | Cite: | Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies.
Cell Chem Biol, 24, 2017
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5TLV
 | | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with 4,4'-(thiophene-2,3-diyl)bis(3-fluorophenol) | | Descriptor: | 4,4'-(thiene-2,3-diyl)bis(3-fluorophenol), Estrogen receptor, Nuclear receptor coactivator 2 | | Authors: | Nwachukwu, J.C, Erumbi, R, Srinivasan, S, Bruno, N.E, Nowak, J, Izard, T, Kojetin, D.J, Elemento, O, Katzenellenbogen, J.A, Nettles, K.W. | | Deposit date: | 2016-10-12 | | Release date: | 2017-01-18 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.323 Å) | | Cite: | Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies.
Cell Chem Biol, 24, 2017
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5TLF
 | | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the Constrained WAY Derivative, 4-(2-(3-methylbut-2-en-1-yl)-7-(trifluoromethyl)-2H-indazol-3-yl)benzene-1,3-diol | | Descriptor: | 4-[2-(3-methylbut-2-en-1-yl)-7-(trifluoromethyl)-2H-indazol-3-yl]benzene-1,3-diol, Estrogen receptor, NUCLEAR RECEPTOR COACTIVATOR 2 | | Authors: | Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Nowak, J, Kojetin, D.J, Elemento, O, Katzenellenbogen, J.A, Nettles, K.W. | | Deposit date: | 2016-10-11 | | Release date: | 2017-01-18 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.204 Å) | | Cite: | Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies.
Cell Chem Biol, 24, 2017
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5TM4
 | | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the OBHS-ASC Analog, 5-(4-((1R,4S,6R)-6-((3-chlorophenoxy)sulfonyl)-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl)phenoxy)pentanoic acid | | Descriptor: | 5-{4-[(1S,4S,6R)-6-[(3-chlorophenoxy)sulfonyl]-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl]phenoxy}pentanoic acid, Estrogen receptor, Nuclear receptor coactivator 2 | | Authors: | Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Nowak, J, Kojetin, D.J, Elemento, O, Katzenellenbogen, J.A, Nettles, K.W. | | Deposit date: | 2016-10-12 | | Release date: | 2017-01-18 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies.
Cell Chem Biol, 24, 2017
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8CZ7
 | | Crystal structure of SARS-CoV-2 Mpro with compound C2 | | Descriptor: | 3C-like proteinase, N-[(4-chlorothiophen-2-yl)methyl]-2-(isoquinolin-4-yl)-N-(4-methoxyphenyl)acetamide | | Authors: | Worrall, L.J, Lee, J, Strynadka, N.C.J. | | Deposit date: | 2022-05-24 | | Release date: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | A novel class of broad-spectrum active-site-directed 3C-like protease inhibitors with nanomolar antiviral activity against highly immune-evasive SARS-CoV-2 Omicron subvariants.
Emerg Microbes Infect, 12, 2023
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