5I3Y
 
 | | Crystal structure of BACE1 in complex with aminoquinoline inhibitor 9 | | Descriptor: | Beta-secretase 1, N-(6-{2-[2-(2-amino-3-{3-[(3,3-dimethylbutyl)amino]-3-oxopropyl}quinolin-6-yl)phenyl]ethyl}pyridin-3-yl)-4-fluorobenzamide | | Authors: | Whittington, D.A, Long, A.M. | | Deposit date: | 2016-02-11 | | Release date: | 2016-03-30 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Fragment-Linking Approach Using (19)F NMR Spectroscopy To Obtain Highly Potent and Selective Inhibitors of beta-Secretase.
J.Med.Chem., 59, 2016
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4N1A
 | | Thermomonospora curvata EccC (ATPases 2 and 3) in complex with a signal sequence peptide | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Cell divisionFtsK/SpoIIIE, MAGNESIUM ION, ... | | Authors: | Dovala, D.L, Bendebury, A, Cox, J.S, Stroud, R.M, Rosenberg, O.S. | | Deposit date: | 2013-10-03 | | Release date: | 2015-02-11 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.24 Å) | | Cite: | Substrates Control Multimerization and Activation of the Multi-Domain ATPase Motor of Type VII Secretion.
Cell(Cambridge,Mass.), 161, 2015
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4NH0
 | | Cytoplasmic domain of the Thermomonospora curvata Type VII Secretion ATPase EccC | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Cell divisionFtsK/SpoIIIE, MAGNESIUM ION, ... | | Authors: | Rosenberg, O.S, Cox, J.S, Stroud, R.M, Strauli, N, Dovala, D. | | Deposit date: | 2013-11-03 | | Release date: | 2015-02-11 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Substrates Control Multimerization and Activation of the Multi-Domain ATPase Motor of Type VII Secretion.
Cell(Cambridge,Mass.), 161, 2015
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8QJR
 | | BRG1 bromodomain in complex with VBC via compound 17 | | Descriptor: | (2S,4R)-1-[(2R)-2-[3-[2-[4-[3-[4-[(1R,5S)-3-[3-azanyl-6-(2-hydroxyphenyl)pyridazin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]pyridin-2-yl]oxycyclobutyl]oxypiperidin-1-yl]ethoxy]-1,2-oxazol-5-yl]-3-methyl-butanoyl]-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-4-oxidanyl-pyrrolidine-2-carboxamide, CHLORIDE ION, Elongin-B, ... | | Authors: | Kerry, P.S, Hole, A.J, Perez-Dorado, J.I. | | Deposit date: | 2023-09-13 | | Release date: | 2024-01-17 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (3.17 Å) | | Cite: | PROTACs Targeting BRM (SMARCA2) Afford Selective In Vivo Degradation over BRG1 (SMARCA4) and Are Active in BRG1 Mutant Xenograft Tumor Models.
J.Med.Chem., 67, 2024
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8QJS
 | | VHL/Elongin B/Elongin C complex with compound 155 | | Descriptor: | (2S,4R)-1-[(2R)-2-[3-[2-(2-methoxyethoxy)ethoxy]-1,2-oxazol-5-yl]-3-methyl-butanoyl]-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ... | | Authors: | Kerry, P.S, Hole, A.J, Perez-Dorado, J.I. | | Deposit date: | 2023-09-13 | | Release date: | 2024-01-17 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (3.191 Å) | | Cite: | PROTACs Targeting BRM (SMARCA2) Afford Selective In Vivo Degradation over BRG1 (SMARCA4) and Are Active in BRG1 Mutant Xenograft Tumor Models.
J.Med.Chem., 67, 2024
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8QJT
 | | BRM (SMARCA2) Bromodomain in complex with ligand 10 | | Descriptor: | 2-[6-azanyl-5-[(1R,5S)-8-[2-(2-methoxyethoxy)pyridin-4-yl]-3,8-diazabicyclo[3.2.1]octan-3-yl]pyridazin-3-yl]phenol, CHLORIDE ION, Probable global transcription activator SNF2L2, ... | | Authors: | Kerry, P.S, Hole, A.J, Perez-Dorado, J.I. | | Deposit date: | 2023-09-13 | | Release date: | 2024-01-17 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.568 Å) | | Cite: | PROTACs Targeting BRM (SMARCA2) Afford Selective In Vivo Degradation over BRG1 (SMARCA4) and Are Active in BRG1 Mutant Xenograft Tumor Models.
J.Med.Chem., 67, 2024
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6AKL
 | | Crystal structure of Striatin3 in complex with SIKE1 Coiled-coil domain | | Descriptor: | Striatin-3, Suppressor of IKBKE 1 | | Authors: | Zhou, L, Chen, M, Zhou, Z.C. | | Deposit date: | 2018-09-02 | | Release date: | 2019-01-16 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Architecture, substructures, and dynamic assembly of STRIPAK complexes in Hippo signaling.
Cell Discov, 5, 2019
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6AKK
 | | Crystal structure of the second Coiled-coil domain of SIKE1 | | Descriptor: | GLYCEROL, Suppressor of IKBKE 1 | | Authors: | Zhou, L, Chen, M, Zhou, Z.C. | | Deposit date: | 2018-09-02 | | Release date: | 2019-01-16 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Architecture, substructures, and dynamic assembly of STRIPAK complexes in Hippo signaling.
Cell Discov, 5, 2019
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6AKM
 | | Crystal structure of SLMAP-SIKE1 complex | | Descriptor: | GLYCEROL, Sarcolemmal membrane-associated protein, Suppressor of IKBKE 1 | | Authors: | Ma, J, Chen, M, Zhou, Z.C. | | Deposit date: | 2018-09-02 | | Release date: | 2019-01-16 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Architecture, substructures, and dynamic assembly of STRIPAK complexes in Hippo signaling.
Cell Discov, 5, 2019
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4JPO
 | | 5A resolution structure of Proteasome Assembly Chaperone Hsm3 in complex with a C-terminal fragment of Rpt1 | | Descriptor: | 26S protease regulatory subunit 7 homolog, DNA mismatch repair protein HSM3 | | Authors: | Lovell, S, Battaile, K.P, Singh, R, Roelofs, J. | | Deposit date: | 2013-03-19 | | Release date: | 2013-04-10 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (5 Å) | | Cite: | Reconfiguration of the proteasome during chaperone-mediated assembly.
Nature, 497, 2013
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6CDX
 | | High-resolution crystal structure of fluoropropylated cystine knot, binding to alpha-5 beta-6 integrin | | Descriptor: | cystine knot (fluoropropylated) | | Authors: | Kimura, R, Nix, J, Bongura, C, Chakraborti, S, Gambhir, S, Filipp, F.V. | | Deposit date: | 2018-02-09 | | Release date: | 2019-08-14 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Evaluation of integrin alpha v beta6cystine knot PET tracers to detect cancer and idiopathic pulmonary fibrosis.
Nat Commun, 10, 2019
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7YQE
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7DNR
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7E9B
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7YMK
 | | Estrogen Receptor Alpha Ligand Binding Domain C381S C417S Y537S Mutant in Complex with an Covalent Selective Estrogen Receptor Degrader 29c and GRIP Peptide | | Descriptor: | DI(HYDROXYETHYL)ETHER, Estrogen receptor, Grip peptide, ... | | Authors: | Min, J, Hu, H.B, Yang, Y, Dong, C.E, Zhou, H.B, Chen, C.-C, Guo, R.-T. | | Deposit date: | 2022-07-28 | | Release date: | 2023-05-31 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Discovery of novel covalent selective estrogen receptor degraders against endocrine-resistant breast cancer.
Acta Pharm Sin B, 13, 2023
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1CN0
 | | CRYSTAL STRUCTURE OF D(ACCCT) | | Descriptor: | DNA (5'-D(*AP*CP*CP*CP*T)-3') | | Authors: | Weil, J, Min, T, Cheng, Y, Wang, S, Sutherland, C, Sinha, N, Kang, C. | | Deposit date: | 1999-05-24 | | Release date: | 2000-05-24 | | Last modified: | 2023-08-02 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Stabilization of the i-motif by intramolecular adenine-adenine-thymine base triple in the structure of d(ACCCT).
Acta Crystallogr.,Sect.D, 55, 1999
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8H98
 | | Crystal structure of chemically modified E. coli ThrS catalytic domain 1 | | Descriptor: | N-(2,3-dihydroxybenzoyl)-4-(4-nitrophenyl)-L-threonine, Threonine--tRNA ligase, ZINC ION | | Authors: | Qiao, H, Xia, M, Wang, J, Fang, P. | | Deposit date: | 2022-10-25 | | Release date: | 2023-02-08 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Tyrosine-targeted covalent inhibition of a tRNA synthetase aided by zinc ion.
Commun Biol, 6, 2023
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8H9B
 | | Crystal structure of chemically modified E. coli ThrS catalytic domain 3 | | Descriptor: | N-(2,3-dihydroxybenzoyl)-4-(4-nitrophenyl)-L-threonine, Threonine--tRNA ligase, ZINC ION | | Authors: | Qiao, H, Xia, M, Wang, J, Fang, P. | | Deposit date: | 2022-10-25 | | Release date: | 2023-02-08 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.23 Å) | | Cite: | Tyrosine-targeted covalent inhibition of a tRNA synthetase aided by zinc ion.
Commun Biol, 6, 2023
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8H9A
 | | Crystal structure of chemically modified E. coli ThrS catalytic domain 2 | | Descriptor: | N-(2,3-dihydroxybenzoyl)-4-(4-nitrophenyl)-L-threonine, Threonine--tRNA ligase, ZINC ION | | Authors: | Qiao, H, Xia, M, Wang, J, Fang, P. | | Deposit date: | 2022-10-25 | | Release date: | 2023-02-08 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Tyrosine-targeted covalent inhibition of a tRNA synthetase aided by zinc ion.
Commun Biol, 6, 2023
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8H9C
 | | Crystal structure of chemically modified E. coli ThrS catalytic domain 4 | | Descriptor: | N-(2,3-dihydroxybenzoyl)-4-(4-nitrophenyl)-L-threonine, Threonine--tRNA ligase, ZINC ION | | Authors: | Qiao, H, Xia, M, Wang, J, Fang, P. | | Deposit date: | 2022-10-25 | | Release date: | 2023-02-08 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Tyrosine-targeted covalent inhibition of a tRNA synthetase aided by zinc ion.
Commun Biol, 6, 2023
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8H99
 | | Crystal structure of E. coli ThrS catalytic domain mutant | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, IMIDAZOLE, MAGNESIUM ION, ... | | Authors: | Qiao, H, Xia, M, Wang, J, Fang, P. | | Deposit date: | 2022-10-25 | | Release date: | 2023-02-08 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Tyrosine-targeted covalent inhibition of a tRNA synthetase aided by zinc ion.
Commun Biol, 6, 2023
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7Y8F
 | | Estrogen Receptor Alpha Ligand Binding Domain Y537S Mutant in Complex with an Inhibitor 30o and GRIP Peptide | | Descriptor: | DI(HYDROXYETHYL)ETHER, Estrogen receptor, Grip peptide, ... | | Authors: | Min, J, Hu, H.B, Yang, Y, Dong, C.E, Zhou, H.B, Chen, C.-C, Guo, R.-T. | | Deposit date: | 2022-06-23 | | Release date: | 2023-04-26 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | Structure-guided identification of novel dual-targeting estrogen receptor alpha degraders with aromatase inhibitory activity for the treatment of endocrine-resistant breast cancer.
Eur.J.Med.Chem., 253, 2023
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7Y8G
 | | Estrogen Receptor Alpha Ligand Binding Domain Y537S Mutant in Complex with an Inhibitor 30a and GRIP Peptide | | Descriptor: | DI(HYDROXYETHYL)ETHER, Estrogen receptor, Grip peptide, ... | | Authors: | Min, J, Hu, H.B, Yang, Y, Dong, C.E, Zhou, H.B, Chen, C.-C, Guo, R.-T. | | Deposit date: | 2022-06-23 | | Release date: | 2023-04-26 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Structure-guided identification of novel dual-targeting estrogen receptor alpha degraders with aromatase inhibitory activity for the treatment of endocrine-resistant breast cancer.
Eur.J.Med.Chem., 253, 2023
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5YF4
 | | A kinase complex MST4-MOB4 | | Descriptor: | MOB-like protein phocein, Peptide from Serine/threonine-protein kinase 26, ZINC ION | | Authors: | Chen, M, Zhou, Z.C. | | Deposit date: | 2017-09-20 | | Release date: | 2018-08-15 | | Last modified: | 2018-09-26 | | Method: | X-RAY DIFFRACTION (1.897 Å) | | Cite: | The MST4-MOB4 complex disrupts the MST1-MOB1 complex in the Hippo-YAP pathway and plays a pro-oncogenic role in pancreatic cancer.
J. Biol. Chem., 293, 2018
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1MVW
 | | MOLECULAR MODELS OF AVERAGED RIGOR CROSSBRIDGES FROM TOMOGRAMS OF INSECT FLIGHT MUSCLE | | Descriptor: | RABBIT SKELETAL MUSCLE ACTIN, SKELETAL MUSCLE MYOSIN II, SKELETAL MUSCLE MYOSIN II ESSENTIAL; LIGHT CHAIN, ... | | Authors: | Chen, L.F, Winkler, H, Reedy, M.K, Reedy, M.C, Taylor, K.A. | | Deposit date: | 2002-09-26 | | Release date: | 2002-11-20 | | Last modified: | 2019-11-06 | | Method: | ELECTRON MICROSCOPY (70 Å) | | Cite: | Molecular Modeling of Averaged Rigor Crossbridges from Tomograms of Insect Flight Muscle
J.STRUCT.BIOL., 138, 2002
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