4ZZJ
 
 | | SIRT1/Activator/Substrate Complex | | Descriptor: | (3S)-1,3-dimethyl-N-[3-(1,3-oxazol-5-yl)phenyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazine-4(1H)-carboxamide, Ac-p53, CARBA-NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Dai, H. | | Deposit date: | 2015-05-22 | | Release date: | 2015-07-15 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.7403 Å) | | Cite: | Crystallographic structure of a small molecule SIRT1 activator-enzyme complex.
Nat Commun, 6, 2015
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4ZZH
 | | SIRT1/Activator Complex | | Descriptor: | (4S)-N-[3-(1,3-oxazol-5-yl)phenyl]-7-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1,4-methanopyrido[2,3-b][1,4]diazepine-5(2H)-carboxamide, NAD-dependent protein deacetylase sirtuin-1, ZINC ION | | Authors: | Dai, H. | | Deposit date: | 2015-05-22 | | Release date: | 2015-07-15 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (3.1001 Å) | | Cite: | Crystallographic structure of a small molecule SIRT1 activator-enzyme complex.
Nat Commun, 6, 2015
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4ZZI
 | | SIRT1/Activator/Inhibitor Complex | | Descriptor: | (3S)-1,3-dimethyl-N-[3-(1,3-oxazol-5-yl)phenyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazine-4(1H)-carboxamide, 4-(4-{2-[(methylsulfonyl)amino]ethyl}piperidin-1-yl)thieno[3,2-d]pyrimidine-6-carboxamide, NAD-dependent protein deacetylase sirtuin-1, ... | | Authors: | Dai, H. | | Deposit date: | 2015-05-22 | | Release date: | 2015-07-15 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.7346 Å) | | Cite: | Crystallographic structure of a small molecule SIRT1 activator-enzyme complex.
Nat Commun, 6, 2015
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1GHD
 | | Crystal structure of the glutaryl-7-aminocephalosporanic acid acylase by mad phasing | | Descriptor: | GLUTARYL-7-AMINOCEPHALOSPORANIC ACID ACYLASE | | Authors: | Ding, Y, Jiang, W, Mao, X, He, H, Zhang, S, Tang, H, Bartlam, M, Ye, S, Jiang, F, Liu, Y, Zhao, G, Rao, Z. | | Deposit date: | 2000-12-07 | | Release date: | 2003-07-08 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Affinity alkylation of the Trp-B4 residue of the beta -subunit of the glutaryl 7-aminocephalosporanic acid acylase of Pseudomonas sp. 130.
J.Biol.Chem., 277, 2002
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7R8V
 | | Cryo-EM structure of the ADP state actin filament | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ... | | Authors: | Gong, R, Espinosa de los Reyes, S, Reynolds, M.J, Gurel, P, Alushin, G.M. | | Deposit date: | 2021-06-27 | | Release date: | 2021-07-28 | | Last modified: | 2022-08-03 | | Method: | ELECTRON MICROSCOPY (2.82 Å) | | Cite: | Structural basis for tunable control of actin dynamics by myosin-15 in mechanosensory stereocilia.
Sci Adv, 8, 2022
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7RB9
 | | Cryo-EM structure of the rigor state Jordan myosin-15-F-actin complex | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ... | | Authors: | Gong, R, Reynolds, M.J, Gurel, P, Alushin, G.M. | | Deposit date: | 2021-07-05 | | Release date: | 2021-07-28 | | Last modified: | 2022-08-03 | | Method: | ELECTRON MICROSCOPY (3.76 Å) | | Cite: | Structural basis for tunable control of actin dynamics by myosin-15 in mechanosensory stereocilia.
Sci Adv, 8, 2022
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7R91
 | | cryo-EM structure of the rigor state wild type myosin-15-F-actin complex | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ... | | Authors: | Gong, R, Reynolds, M.J, Gurel, P, Alushin, G.M. | | Deposit date: | 2021-06-28 | | Release date: | 2021-07-28 | | Last modified: | 2022-08-03 | | Method: | ELECTRON MICROSCOPY (2.83 Å) | | Cite: | Structural basis for tunable control of actin dynamics by myosin-15 in mechanosensory stereocilia.
Sci Adv, 8, 2022
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7RB8
 | | cryo-EM structure of the ADP state wild type myosin-15-F-actin complex | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ... | | Authors: | Gong, R, Reynolds, M.J, Gurel, P, Alushin, G.M. | | Deposit date: | 2021-07-05 | | Release date: | 2021-07-28 | | Last modified: | 2022-08-03 | | Method: | ELECTRON MICROSCOPY (3.63 Å) | | Cite: | Structural basis for tunable control of actin dynamics by myosin-15 in mechanosensory stereocilia.
Sci Adv, 8, 2022
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6K9H
 | | Human LXR-beta in complex with an agonist | | Descriptor: | Oxysterols receptor LXR-beta, ~{tert}-butyl (2'~{S},3~{S})-2-oxidanylidene-2'-phenyl-spiro[1~{H}-indole-3,3'-pyrrolidine]-1'-carboxylate | | Authors: | Zhang, Z, Zhou, H. | | Deposit date: | 2019-06-15 | | Release date: | 2020-04-22 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Discovery of new LXR beta agonists as glioblastoma inhibitors.
Eur.J.Med.Chem., 194, 2020
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6K9G
 | | Human LXR-beta in complex with an agonist | | Descriptor: | Oxysterols receptor LXR-beta, ~{tert}-butyl (2'~{R},3~{R})-2'-[3-[4-(hydroxymethyl)-3-methylsulfonyl-phenyl]phenyl]-2-oxidanylidene-spiro[1~{H}-indole-3,3'-pyrrolidine]-1'-carboxylate | | Authors: | Zhang, Z, Zhou, H. | | Deposit date: | 2019-06-15 | | Release date: | 2020-04-22 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Discovery of new LXR beta agonists as glioblastoma inhibitors.
Eur.J.Med.Chem., 194, 2020
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5B6G
 | | Protein-protein interaction | | Descriptor: | Adenomatous polyposis coli protein, GLYCEROL, PHQ-ALA-GLY-GLU-ALA-XYC-TYR-GLU, ... | | Authors: | Zhao, Y, Jiang, H, Yang, X, Jiang, F, Song, K, Zhang, J. | | Deposit date: | 2016-05-27 | | Release date: | 2017-05-31 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Peptidomimetic inhibitors of APC-Asef interaction block colorectal cancer migration.
Nat. Chem. Biol., 13, 2017
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6ZHC
 | | PROTAC6 mediated complex of VHL:EloB:EloC and Bcl-xL | | Descriptor: | 1,2-ETHANEDIOL, 2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1~{H}-isoquinolin-2-yl]-5-[3-[4-[3-[2-[2-[2-[2-[2-[3-[[(2~{S})-3,3-dimethyl-1-[(2~{S},4~{R})-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]-4-oxidanyl-pyrrolidin-1-yl]-1-oxidanylidene-butan-2-yl]amino]-3-oxidanylidene-propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]prop-1-ynyl]phenoxy]propyl]-1,3-thiazole-4-carboxylic acid, Bcl-2-like protein 1, ... | | Authors: | Chung, C. | | Deposit date: | 2020-06-22 | | Release date: | 2020-08-05 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Structural Insights into PROTAC-Mediated Degradation of Bcl-xL.
Acs Chem.Biol., 15, 2020
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6R7D
 | | Crystal structure of LTC4S in complex with AZ13690257 | | Descriptor: | (1~{S},2~{S})-2-[5-[cyclopropylmethyl(naphthalen-1-yl)amino]-4-methoxy-pyrimidin-2-yl]carbonylcyclopropane-1-carboxylic acid, DODECYL-BETA-D-MALTOSIDE, Leukotriene C4 synthase, ... | | Authors: | Kack, H, Ek, M. | | Deposit date: | 2019-03-28 | | Release date: | 2019-08-28 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Discovery of the Oral Leukotriene C4 Synthase Inhibitor (1S,2S)-2-({5-[(5-Chloro-2,4-difluorophenyl)(2-fluoro-2-methylpropyl)amino]-3-methoxypyrazin-2-yl}carbonyl)cyclopropanecarboxylic Acid (AZD9898) as a New Treatment for Asthma.
J.Med.Chem., 62, 2019
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4N8R
 | | Crystal structure of RXRa LBD complexed with a synthetic modulator K-8008 | | Descriptor: | 5-(2-{(1Z)-2-methyl-1-[4-(propan-2-yl)benzylidene]-1H-inden-3-yl}ethyl)-1H-tetrazole, Retinoic acid receptor RXR-alpha | | Authors: | Aleshin, A.E, Su, Y, Zhang, X, Liddington, R.C. | | Deposit date: | 2013-10-17 | | Release date: | 2014-05-14 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Sulindac-Derived RXR alpha Modulators Inhibit Cancer Cell Growth by Binding to a Novel Site.
Chem.Biol., 21, 2014
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4N5G
 | | Crystal Structure of RXRa LBD complexed with a synthetic modulator K8012 | | Descriptor: | 5-(2-{(1Z)-5-fluoro-2-methyl-1-[4-(propan-2-yl)benzylidene]-1H-inden-3-yl}ethyl)-1H-tetrazole, Retinoic acid receptor RXR-alpha | | Authors: | Aleshin, A.E, Su, Y, Zhang, X, Liddington, R.C. | | Deposit date: | 2013-10-09 | | Release date: | 2014-05-14 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | Sulindac-Derived RXR alpha Modulators Inhibit Cancer Cell Growth by Binding to a Novel Site.
Chem.Biol., 21, 2014
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8V7Z
 | | Phosphorylated, ATP-bound, E1371Q human cystic fibrosis transmembrane conductance regulator (E1371Q-CFTR) | | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, ADENOSINE-5'-TRIPHOSPHATE, CHOLESTEROL, ... | | Authors: | Gao, X, Hwang, T. | | Deposit date: | 2023-12-04 | | Release date: | 2024-07-17 | | Last modified: | 2024-08-21 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Allosteric inhibition of CFTR gating by CFTRinh-172 binding in the pore.
Nat Commun, 15, 2024
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6TXZ
 | | FAB PART OF M6903 IN COMPLEX WITH HUMAN TIM3 | | Descriptor: | Fab H, Fab L, Hepatitis A virus cellular receptor 2 | | Authors: | Musil, D, Sood, V. | | Deposit date: | 2020-01-15 | | Release date: | 2020-04-08 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (3.06 Å) | | Cite: | Identification and characterization of M6903, an antagonistic anti-TIM-3 monoclonal antibody.
Oncoimmunology, 9, 2020
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5IZ8
 | | Protein-protein interaction | | Descriptor: | ACE-ALA-GLY-GLU-ALA-LEU-ALA-ASP-NH2, Adenomatous polyposis coli protein, TRIETHYLENE GLYCOL | | Authors: | Zhao, Y, Jiang, H, Yang, X, Jiang, F, Song, K, Zhang, J. | | Deposit date: | 2016-03-25 | | Release date: | 2017-07-05 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (3.06 Å) | | Cite: | Peptidomimetic inhibitors of APC-Asef interaction block colorectal cancer migration.
Nat. Chem. Biol., 13, 2017
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5IZ9
 | | Protein-protein interaction | | Descriptor: | ACE-GLY-GLY-GLU-ALA-LEU-ALA-ASP-NH2, Adenomatous polyposis coli protein | | Authors: | Zhao, Y, Jiang, H, Yang, X, Jiang, F, Song, K, Zhang, J. | | Deposit date: | 2016-03-25 | | Release date: | 2017-07-05 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.93 Å) | | Cite: | Peptidomimetic inhibitors of APC-Asef interaction block colorectal cancer migration.
Nat. Chem. Biol., 13, 2017
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7X31
 | | solution structure of an anti-CRISPR protein | | Descriptor: | Anti-CRISPR protein (AcrIIC1) | | Authors: | Zhao, Y, Yang, F. | | Deposit date: | 2022-02-27 | | Release date: | 2022-10-26 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | A redox switch regulates the assembly and anti-CRISPR activity of AcrIIC1.
Nat Commun, 13, 2022
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5IZ6
 | | Protein-protein interaction | | Descriptor: | Adenomatous polyposis coli protein, DI(HYDROXYETHYL)ETHER, PHQ-ALA-GLY-GLU-ALA-LEU-TYR-GLU-NH2, ... | | Authors: | Zhao, Y, Jiang, H, Yang, X, Jiang, F, Song, K, Zhang, J. | | Deposit date: | 2016-03-25 | | Release date: | 2017-07-05 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Peptidomimetic inhibitors of APC-Asef interaction block colorectal cancer migration.
Nat. Chem. Biol., 13, 2017
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5IZA
 | | Protein-protein interaction | | Descriptor: | ACE-GLY-GLY-GLU-ALA-LEU-ALA-TRP-NH2, Adenomatous polyposis coli protein | | Authors: | Zhao, Y, Jiang, H, Yang, X, Jiang, F, Song, K, Zhang, J. | | Deposit date: | 2016-03-25 | | Release date: | 2017-07-05 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Peptidomimetic inhibitors of APC-Asef interaction block colorectal cancer migration.
Nat. Chem. Biol., 13, 2017
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7X4B
 | | Crystal Structure of An Anti-CRISPR Protein | | Descriptor: | Anti-CRISPR protein (AcrIIC1), SULFATE ION | | Authors: | Hu, J, Zhang, S, Gao, J.Y, Liu, X, Liu, J. | | Deposit date: | 2022-03-02 | | Release date: | 2022-10-26 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.61 Å) | | Cite: | A redox switch regulates the assembly and anti-CRISPR activity of AcrIIC1.
Nat Commun, 13, 2022
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1MOL
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7UDT
 | | cryo-EM structure of the rigor state wild type myosin-15-F-actin complex (symmetry expansion and re-centering) | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ... | | Authors: | Gong, R, Reynolds, M.J, Alushin, G.M. | | Deposit date: | 2022-03-20 | | Release date: | 2022-08-03 | | Method: | ELECTRON MICROSCOPY (3.17 Å) | | Cite: | Structural basis for tunable control of actin dynamics by myosin-15 in mechanosensory stereocilia.
Sci Adv, 8, 2022
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