6XEB
 
 | | STRUCTURE OF HUMAN HDAC2 IN COMPLEX WITH KETONE INHIBITOR (COMPOUND E) | | Descriptor: | 5-{(1S)-7,7-dihydroxy-1-[(1-methylazetidine-3-carbonyl)amino]nonyl}-2-phenyl-1H-imidazole-4-carboxamide, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Klein, D.J, Clausen, D. | | Deposit date: | 2020-06-12 | | Release date: | 2020-08-12 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Development of a selective HDAC inhibitor aimed at reactivating the HIV latent reservoir.
Bioorg.Med.Chem.Lett., 30, 2020
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6G4Y
 | | Crystal structure of murine NF-kappaB inducing kinase (NIK) in complex with compound 1a | | Descriptor: | 10-[2-[(3~{R})-1-methyl-3-oxidanyl-2-oxidanylidene-pyrrolidin-3-yl]ethynyl]-~{N}3-(oxan-4-yl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine-2,3-dicarboxamide, Mitogen-activated protein kinase kinase kinase 14, SULFATE ION | | Authors: | Hole, A.J, Hymowitz, S.G, McEwan, P.A. | | Deposit date: | 2018-03-28 | | Release date: | 2018-07-04 | | Last modified: | 2018-08-22 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Scaffold-Hopping Approach To Discover Potent, Selective, and Efficacious Inhibitors of NF-kappa B Inducing Kinase.
J. Med. Chem., 61, 2018
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1N2D
 | | Ternary complex of MLC1P bound to IQ2 and IQ3 of Myo2p, a class V myosin | | Descriptor: | IQ2 AND IQ3 MOTIFS FROM MYO2P, A CLASS V MYOSIN, Myosin Light Chain | | Authors: | Terrak, M, Wu, G, Stafford, W.F, Lu, R.C, Dominguez, R. | | Deposit date: | 2002-10-22 | | Release date: | 2003-11-04 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure of the light chain-binding domain of myosin V.
Proc.Natl.Acad.Sci.USA, 102, 2005
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5JNH
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1M45
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1M46
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7KHJ
 | | Crystal structure of KIT kinase domain with a small molecule inhibitor, PLX8512 in the DFG-in state | | Descriptor: | 2-phenyl-5-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine, Mast/stem cell growth factor receptor Kit | | Authors: | Zhang, Y. | | Deposit date: | 2020-10-21 | | Release date: | 2021-07-07 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Association of Combination of Conformation-Specific KIT Inhibitors With Clinical Benefit in Patients With Refractory Gastrointestinal Stromal Tumors: A Phase 1b/2a Nonrandomized Clinical Trial.
Jama Oncol, 7, 2021
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7KHG
 | | Crystal structure of KIT kinase domain with a small molecule inhibitor, PLX3397 | | Descriptor: | 5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-{[6-(trifluoromethyl)pyridin-3-yl]methyl}pyridin-2-amine, Mast/stem cell growth factor receptor Kit | | Authors: | Zhang, Y. | | Deposit date: | 2020-10-21 | | Release date: | 2021-07-07 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Association of Combination of Conformation-Specific KIT Inhibitors With Clinical Benefit in Patients With Refractory Gastrointestinal Stromal Tumors: A Phase 1b/2a Nonrandomized Clinical Trial.
Jama Oncol, 7, 2021
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7KHK
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2YGS
 | | CARD DOMAIN FROM APAF-1 | | Descriptor: | APOPTOTIC PROTEASE ACTIVATING FACTOR 1 | | Authors: | Shi, Y. | | Deposit date: | 1999-05-08 | | Release date: | 2000-04-19 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural basis of procaspase-9 recruitment by the apoptotic protease-activating factor 1.
Nature, 399, 1999
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4HVS
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4HW7
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6U7Q
 | | NMR solution structure of SFTI-R10 | | Descriptor: | GLY-ARG-CYS-THR-LYS-SER-ILE-PRO-PRO-ARG-CYS-PHE-PRO-ASP inhibitor | | Authors: | White, A.M, Harvey, P.J, Durek, T, Craik, D.J. | | Deposit date: | 2019-09-03 | | Release date: | 2020-04-22 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Application and Structural Analysis of Triazole-Bridged Disulfide Mimetics in Cyclic Peptides.
Angew.Chem.Int.Ed.Engl., 59, 2020
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6U24
 | | NMR solution structure of triazole bridged SFTI-1 | | Descriptor: | 1-methyl-1H-1,2,3-triazole, GLY-ARG-ALA-THR-LYS-SER-ILE-PRO-PRO-ILE-ALA-PHE-PRO-ASP | | Authors: | White, A.M, Harvey, P.J, Durek, T, Craik, D.J. | | Deposit date: | 2019-08-19 | | Release date: | 2020-07-01 | | Last modified: | 2020-07-15 | | Method: | SOLUTION NMR | | Cite: | Application and Structural Analysis of Triazole-Bridged Disulfide Mimetics in Cyclic Peptides.
Angew.Chem.Int.Ed.Engl., 59, 2020
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6U7U
 | | NMR solution structure of triazole bridged matriptase inhibitor | | Descriptor: | 1-methyl-1H-1,2,3-triazole, GLY-ARG-ALA-THR-LYS-SER-ILE-PRO-PRO-ARG-ALA-PHE-PRO-ASP | | Authors: | White, A.M, Harvey, P.J, Durek, T, Craik, D.J. | | Deposit date: | 2019-09-03 | | Release date: | 2020-04-22 | | Last modified: | 2020-07-15 | | Method: | SOLUTION NMR | | Cite: | Application and Structural Analysis of Triazole-Bridged Disulfide Mimetics in Cyclic Peptides.
Angew.Chem.Int.Ed.Engl., 59, 2020
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8WNF
 | | Crystal structure of H. pylori isoleucyl-tRNA synthetase (HpIleRS) in apo form | | Descriptor: | ACETATE ION, GLYCEROL, Isoleucine--tRNA ligase, ... | | Authors: | Guo, Y, Li, S, Zhang, T. | | Deposit date: | 2023-10-05 | | Release date: | 2024-02-14 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural basis for substrate and antibiotic recognition by Helicobacter pylori isoleucyl-tRNA synthetase.
Febs Lett., 598, 2024
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8WO2
 | | Crystal structure of H. pylori isoleucyl-tRNA synthetase (HpIleRS) in complex with Val-AMP | | Descriptor: | ACETATE ION, GLYCEROL, Isoleucine--tRNA ligase, ... | | Authors: | Guo, Y, Li, S, Zhang, T. | | Deposit date: | 2023-10-06 | | Release date: | 2024-02-14 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.34 Å) | | Cite: | Structural basis for substrate and antibiotic recognition by Helicobacter pylori isoleucyl-tRNA synthetase.
Febs Lett., 598, 2024
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8WNJ
 | | Crystal structure of H. pylori isoleucyl-tRNA synthetase (HpIleRS) in complex with Ile-AMP | | Descriptor: | ACETATE ION, GLYCEROL, Isoleucine--tRNA ligase, ... | | Authors: | Guo, Y, Li, S, Zhang, T. | | Deposit date: | 2023-10-06 | | Release date: | 2024-02-14 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Structural basis for substrate and antibiotic recognition by Helicobacter pylori isoleucyl-tRNA synthetase.
Febs Lett., 598, 2024
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8WNG
 | | Crystal structure of H. pylori isoleucyl-tRNA synthetase (HpIleRS) in complex with Ile | | Descriptor: | ACETATE ION, GLYCEROL, ISOLEUCINE, ... | | Authors: | Guo, Y, Li, S, Zhang, T. | | Deposit date: | 2023-10-05 | | Release date: | 2024-02-14 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Structural basis for substrate and antibiotic recognition by Helicobacter pylori isoleucyl-tRNA synthetase.
Febs Lett., 598, 2024
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8WNI
 | | Crystal structure of H. pylori isoleucyl-tRNA synthetase (HpIleRS) in complex with Val | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, GLYCEROL, ... | | Authors: | Guo, Y, Li, S, Zhang, T. | | Deposit date: | 2023-10-06 | | Release date: | 2024-02-14 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structural basis for substrate and antibiotic recognition by Helicobacter pylori isoleucyl-tRNA synthetase.
Febs Lett., 598, 2024
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8WO3
 | | Crystal structure of H. pylori isoleucyl-tRNA synthetase (HpIleRS) in complex with Mupirocin | | Descriptor: | ACETATE ION, GLYCEROL, Isoleucine--tRNA ligase, ... | | Authors: | Guo, Y, Li, S, Zhang, T. | | Deposit date: | 2023-10-06 | | Release date: | 2024-02-14 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural basis for substrate and antibiotic recognition by Helicobacter pylori isoleucyl-tRNA synthetase.
Febs Lett., 598, 2024
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6IEG
 | | Crystal structure of human MTR4 | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Exosome RNA helicase MTR4, MAGNESIUM ION | | Authors: | Chen, J.Y, Yun, C.H. | | Deposit date: | 2018-09-14 | | Release date: | 2019-04-03 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3.55 Å) | | Cite: | NRDE2 negatively regulates exosome functions by inhibiting MTR4 recruitment and exosome interaction.
Genes Dev., 33, 2019
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5HDP
 | | Hydrolase StnA mutant - S185A | | Descriptor: | Hydrolase, methyl 5-amino-6-(7-amino-6-methoxy-5,8-dioxo-5,8-dihydroquinolin-2-yl)-4-(2-hydroxy-3-methoxyphenyl)-3-methylpyridine-2-carboxylate | | Authors: | Qian, T. | | Deposit date: | 2016-01-05 | | Release date: | 2017-01-11 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Crystal Structure of StnA for the Biosynthesis of Antitumor Drug Streptonigrin Reveals a Unique Substrate Binding Mode
Sci Rep, 7, 2017
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5HDF
 | | Hydrolase SeMet-StnA | | Descriptor: | Hydrolase | | Authors: | Qian, T. | | Deposit date: | 2016-01-05 | | Release date: | 2017-01-11 | | Last modified: | 2017-01-25 | | Method: | X-RAY DIFFRACTION (2.71 Å) | | Cite: | Crystal Structure of StnA for the Biosynthesis of Antitumor Drug Streptonigrin Reveals a Unique Substrate Binding Mode
Sci Rep, 7, 2017
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6IEH
 | | Crystal structures of the hMTR4-NRDE2 complex | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, Exosome RNA helicase MTR4, ... | | Authors: | Chen, J.Y, Yun, C.H. | | Deposit date: | 2018-09-14 | | Release date: | 2019-04-03 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.892 Å) | | Cite: | NRDE2 negatively regulates exosome functions by inhibiting MTR4 recruitment and exosome interaction.
Genes Dev., 33, 2019
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