5WMD
 
 | | N-terminal bromodomain of BRD4 in complex with OTX-015 | | Descriptor: | 2-[(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]-N-(4-hydroxyphenyl)acetamide, Bromodomain-containing protein 4 | | Authors: | Zhang, Y. | | Deposit date: | 2017-07-28 | | Release date: | 2018-08-01 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.27 Å) | | Cite: | BRD4 Profiling Identifies Critical Chronic Lymphocytic Leukemia Oncogenic Circuits and Reveals Sensitivity to PLX51107, a Novel Structurally Distinct BET Inhibitor.
Cancer Discov, 8, 2018
|
|
3H98
 | | Crystal structure of HCV NS5b 1b with (1,1-dioxo-2H-[1,2,4]benzothiadiazin-3-yl) azolo[1,5-a]pyrimidine derivative | | Descriptor: | GLYCEROL, N-{3-[5-hydroxy-8-(3-methylbutyl)-7-oxo-7,8-dihydroimidazo[1,2-a]pyrimidin-6-yl]-1,1-dioxido-4H-1,2,4-benzothiadiazin-7-yl}methanesulfonamide, RNA-directed RNA polymerase | | Authors: | Wang, G, Lei, H, Wang, X, Das, D, Mackinnon, C, Montalbetti, C.A.G, Mears, R, Gai, X, Bailey, S, Ruhrmund, D, Hooi, L, Misialek, S, Rajagopalan, R, Cheng, R.K.Y, Barker, J.L, Felicetti, B, Stoycheva, A, Buckman, B, Kossen, K, Seiwert, S, Beigelmana, L. | | Deposit date: | 2009-04-30 | | Release date: | 2009-10-13 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | HCV NS5B polymerase inhibitors 2: Synthesis and in vitro activity of (1,1-dioxo-2H-[1,2,4]benzothiadiazin-3-yl) azolo[1,5-a]pyridine and azolo[1,5-a]pyrimidine derivatives.
Bioorg.Med.Chem.Lett., 19, 2009
|
|
5VZ2
 | |
5W18
 | | Staphylococcus aureus ClpP in complex with (S)-N-((2R,6S,8aS,14aS,20S,23aS)-2,6-dimethyl-5,8,14,19,23-pentaoxooctadecahydro-1H,5H,14H,19H-pyrido[2,1-i]dipyrrolo[2,1-c:2',1'-l][1]oxa[4,7,10,13]tetraazacyclohexadecin-20-yl)-3-phenyl-2-(3-phenylureido)propanamide | | Descriptor: | 9V7-PHE-SER-PRO-YCP-ALA-MP8, ATP-dependent Clp protease proteolytic subunit | | Authors: | Lee, R.E, Griffith, E.C. | | Deposit date: | 2017-06-02 | | Release date: | 2017-08-09 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.44 Å) | | Cite: | Ureadepsipeptides as ClpP Activators.
Acs Infect Dis., 2019
|
|
6D13
 | | Crystal structure of E.coli RppH-DapF complex | | Descriptor: | CHLORIDE ION, Diaminopimelate epimerase, IODIDE ION, ... | | Authors: | Gao, A, Serganov, A. | | Deposit date: | 2018-04-11 | | Release date: | 2018-05-23 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.06 Å) | | Cite: | Structural and kinetic insights into stimulation of RppH-dependent RNA degradation by the metabolic enzyme DapF.
Nucleic Acids Res., 46, 2018
|
|
6D1Q
 | | Crystal structure of E. coli RppH-DapF complex, monomer | | Descriptor: | CHLORIDE ION, Diaminopimelate epimerase, GLYCEROL, ... | | Authors: | Gao, A, Serganov, A. | | Deposit date: | 2018-04-12 | | Release date: | 2018-05-23 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Structural and kinetic insights into stimulation of RppH-dependent RNA degradation by the metabolic enzyme DapF.
Nucleic Acids Res., 46, 2018
|
|
6DUY
 | |
6DUW
 | |
6DV1
 | |
3C7X
 | | Hemopexin-like domain of matrix metalloproteinase 14 | | Descriptor: | CHLORIDE ION, Matrix metalloproteinase-14, SODIUM ION | | Authors: | Tochowicz, A, Itoh, Y, Maskos, K, Bode, W, Goettig, P. | | Deposit date: | 2008-02-08 | | Release date: | 2009-02-10 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The dimer interface of the membrane type 1 matrix metalloproteinase hemopexin domain: crystal structure and biological functions
J.Biol.Chem., 286, 2011
|
|
6E4F
 | | Crystal structure of ARQ 531 in complex with the kinase domain of BTK | | Descriptor: | 1,2-ETHANEDIOL, 1,5-anhydro-2-{[5-(2-chloro-4-phenoxybenzene-1-carbonyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}-2,3,4-trideoxy-D-erythro-hexitol, IMIDAZOLE, ... | | Authors: | Eathiraj, S. | | Deposit date: | 2018-07-17 | | Release date: | 2018-09-05 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | The BTK Inhibitor ARQ 531 Targets Ibrutinib-Resistant CLL and Richter Transformation.
Cancer Discov, 8, 2018
|
|
6D1V
 | |
5NZ9
 | | NMR structure of an EphA2-Sam fragment | | Descriptor: | Ephrin type-A receptor 2 | | Authors: | Mercurio, F.A, Leone, M. | | Deposit date: | 2017-05-12 | | Release date: | 2017-12-20 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | The Sam-Sam interaction between Ship2 and the EphA2 receptor: design and analysis of peptide inhibitors.
Sci Rep, 7, 2017
|
|
6CFD
 | | ADEP4 bound to E. faecium ClpP | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ATP-dependent Clp protease proteolytic subunit, N-[(6aS,12S,15aS,17R,21R,23aS)-17,21-dimethyl-6,11,15,20,23-pentaoxooctadecahydro-2H,6H,11H,15H-pyrido[2,1-i]dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13]oxatetraazacyclohexadecin-12-yl]-3,5-difluoro-Nalpha-[(2E)-hept-2-enoyl]-L-phenylalaninamide | | Authors: | Lee, R.E, Griffith, E.C. | | Deposit date: | 2018-02-14 | | Release date: | 2018-05-16 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.57 Å) | | Cite: | In VivoandIn VitroEffects of a ClpP-Activating Antibiotic against Vancomycin-Resistant Enterococci.
Antimicrob. Agents Chemother., 62, 2018
|
|
6O2W
 | |
6O2U
 | | Crystal structure of the SARAF luminal domain | | Descriptor: | Store-operated calcium entry-associated regulatory factor | | Authors: | Kimberlin, C.R, Minor, D.L. | | Deposit date: | 2019-02-24 | | Release date: | 2019-05-29 | | Last modified: | 2019-12-04 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | SARAF Luminal Domain Structure Reveals a Novel Domain-Swapped beta-Sandwich Fold Important for SOCE Modulation.
J.Mol.Biol., 431, 2019
|
|
6O2V
 | |
3UDL
 | | 3-heterocyclyl quinolone bound to HCV NS5B | | Descriptor: | 3-(5-benzyl-1,2,4-oxadiazol-3-yl)-6-fluoro-1-[2-fluoro-4-(trifluoromethyl)benzyl]-7-(4-methylpiperazin-1-yl)quinolin-4(1H)-one, HCV NS5B polymerase | | Authors: | Somoza, J.R. | | Deposit date: | 2011-10-28 | | Release date: | 2011-12-21 | | Method: | X-RAY DIFFRACTION (2.174 Å) | | Cite: | Quinolones as HCV NS5B polymerase inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011
|
|
6PE6
 | | PANK3 complex structure with compound PZ-3022 | | Descriptor: | 6-{4-[(4-cyclopropylphenyl)acetyl]piperazin-1-yl}pyridazine-3-carbonitrile, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | | Authors: | White, S.W, Yun, M. | | Deposit date: | 2019-06-20 | | Release date: | 2020-12-23 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Pantothenate kinase activation relieves coenzyme A sequestration and improves mitochondrial function in mice with propionic acidemia.
Sci Transl Med, 13, 2021
|
|
6PKA
 | |
6X2W
 | | Crystal Structure of PKINES peptide bound to CRM1(E571K) | | Descriptor: | Exportin-1, GLYCEROL, GTP-binding nuclear protein Ran, ... | | Authors: | Baumhardt, J.M. | | Deposit date: | 2020-05-21 | | Release date: | 2020-07-01 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.001 Å) | | Cite: | Recognition of nuclear export signals by CRM1 carrying the oncogenic E571K mutation.
Mol.Biol.Cell, 31, 2020
|
|
6X2U
 | | Crystal Structure of PKINES peptide bound to CRM1 | | Descriptor: | Exportin-1, GLYCEROL, GTP-binding nuclear protein Ran, ... | | Authors: | Baumhardt, J.M. | | Deposit date: | 2020-05-21 | | Release date: | 2020-07-01 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Recognition of nuclear export signals by CRM1 carrying the oncogenic E571K mutation.
Mol.Biol.Cell, 31, 2020
|
|
6X2M
 | | Crystal Structure of unliganded CRM1-Ran-RanBP1 | | Descriptor: | Exportin-1, GLYCEROL, GTP-binding nuclear protein Ran, ... | | Authors: | Baumhardt, J.M. | | Deposit date: | 2020-05-20 | | Release date: | 2020-07-01 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.351 Å) | | Cite: | Recognition of nuclear export signals by CRM1 carrying the oncogenic E571K mutation.
Mol.Biol.Cell, 31, 2020
|
|
6X2P
 | | Crystal Structure of the Mek1NES peptide bound to CRM1 | | Descriptor: | Dual specificity mitogen-activated protein kinase kinase 1, Exportin-1, GLYCEROL, ... | | Authors: | Baumhardt, J.M. | | Deposit date: | 2020-05-20 | | Release date: | 2020-07-01 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.401 Å) | | Cite: | Recognition of nuclear export signals by CRM1 carrying the oncogenic E571K mutation.
Mol.Biol.Cell, 31, 2020
|
|
6X2V
 | | Crystal Structure of PKI(DE)NES peptide bound to CRM1 | | Descriptor: | Exportin-1, GLYCEROL, GTP-binding nuclear protein Ran, ... | | Authors: | Baumhardt, J.M. | | Deposit date: | 2020-05-21 | | Release date: | 2020-07-01 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.822 Å) | | Cite: | Recognition of nuclear export signals by CRM1 carrying the oncogenic E571K mutation.
Mol.Biol.Cell, 31, 2020
|
|
