8XSS
 
 | |
8XSR
 | |
8XST
 | |
3LE6
 | | The structure of cyclin dependent kinase 2 (CKD2) with a pyrazolobenzodiazepine inhibitor | | Descriptor: | 5-(2-chlorophenyl)-3-methyl-7-nitropyrazolo[3,4-b][1,4]benzodiazepine, Cell division protein kinase 2 | | Authors: | Lukacs, C.M, Swain, A, Crowther, R.L, Kammlott, R.U, Liu, J.J. | | Deposit date: | 2010-01-14 | | Release date: | 2010-11-17 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Pyrazolobenzodiazepines: part I. Synthesis and SAR of a potent class of kinase inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
|
|
8IJK
 | | human KCNQ2-CaM-Ebio1 complex in the presence of PIP2 | | Descriptor: | Calmodulin-1, N-(1,2-dihydroacenaphthylen-5-yl)-4-fluoranyl-benzamide, Potassium voltage-gated channel subfamily KQT member 2 | | Authors: | Ma, D, Guo, J. | | Deposit date: | 2023-02-27 | | Release date: | 2024-01-17 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | A small-molecule activation mechanism that directly opens the KCNQ2 channel.
Nat.Chem.Biol., 20, 2024
|
|
8IF8
 | | Arabinosyltransferase AftA | | Descriptor: | CALCIUM ION, Galactan 5-O-arabinofuranosyltransferase | | Authors: | Gong, Y.C, Rao, Z.H, Zhang, L. | | Deposit date: | 2023-02-17 | | Release date: | 2023-05-31 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structure of the priming arabinosyltransferase AftA required for AG biosynthesis of Mycobacterium tuberculosis.
Proc.Natl.Acad.Sci.USA, 120, 2023
|
|
8K1O
 | | mycobacterial efflux pump, AMPPNP bound state | | Descriptor: | CARDIOLIPIN, MAGNESIUM ION, Multidrug efflux system ATP-binding protein Rv1218c, ... | | Authors: | Wang, Y, Wu, F, Zhang, L, Rao, Z. | | Deposit date: | 2023-07-11 | | Release date: | 2024-07-17 | | Last modified: | 2025-01-29 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Cryo-EM structures of a mycobacterial ABC transporter that mediates rifampicin resistance.
Proc.Natl.Acad.Sci.USA, 121, 2024
|
|
8K1M
 | | mycobacterial efflux pump, apo state | | Descriptor: | (1S)-2-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-1-[(octadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, CARDIOLIPIN, Multidrug efflux system ATP-binding protein Rv1218c, ... | | Authors: | Wang, Y, Wu, F, Zhang, L, Rao, Z. | | Deposit date: | 2023-07-11 | | Release date: | 2024-07-17 | | Last modified: | 2025-01-29 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Cryo-EM structures of a mycobacterial ABC transporter that mediates rifampicin resistance.
Proc.Natl.Acad.Sci.USA, 121, 2024
|
|
8K1N
 | | mycobacterial efflux pump, substrate-bound state | | Descriptor: | CARDIOLIPIN, Multidrug efflux system ATP-binding protein Rv1218c, Multidrug efflux system permease protein Rv1217c, ... | | Authors: | Wang, Y, Wu, F, Zhang, L, Rao, Z. | | Deposit date: | 2023-07-11 | | Release date: | 2024-07-17 | | Last modified: | 2025-01-29 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Cryo-EM structures of a mycobacterial ABC transporter that mediates rifampicin resistance.
Proc.Natl.Acad.Sci.USA, 121, 2024
|
|
3QKD
 | | Crystal structure of Bcl-xL in complex with a Quinazoline sulfonamide inhibitor | | Descriptor: | (R)-N-(7-(4-((4'-chlorobiphenyl-2-yl)methyl)piperazin-1-yl)quinazolin-4-yl)-4-(4-(dimethylamino)-1-(phenylthio)butan-2-ylamino)-3-nitrobenzenesulfonamide, Bcl-2-like protein 1, CHLORIDE ION, ... | | Authors: | Czabotar, P.E, Smith, B.J. | | Deposit date: | 2011-01-31 | | Release date: | 2011-04-06 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Quinazoline sulfonamides as dual binders of the proteins B-cell lymphoma 2 and B-cell lymphoma extra long with potent proapoptotic cell-based activity.
J.Med.Chem., 54, 2011
|
|
7C2N
 | | Crystal structure of mycolic acid transporter MmpL3 from Mycobacterium smegmatis complexed with SPIRO | | Descriptor: | (CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID, 1'-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine], Drug exporters of the RND superfamily-like protein,Endolysin, ... | | Authors: | Zhang, B, Yang, X, Hu, T, Rao, Z. | | Deposit date: | 2020-05-08 | | Release date: | 2020-12-02 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.82 Å) | | Cite: | Structural Basis for the Inhibition of Mycobacterial MmpL3 by NITD-349 and SPIRO.
J.Mol.Biol., 432, 2020
|
|
7VIJ
 | | Crystal structure of USP7-HUBL domain | | Descriptor: | Ubiquitin carboxyl-terminal hydrolase 7 | | Authors: | Feng, N, Zeng, K.W. | | Deposit date: | 2021-09-27 | | Release date: | 2022-08-24 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Neuroinflammation inhibition by small-molecule targeting USP7 noncatalytic domain for neurodegenerative disease therapy.
Sci Adv, 8, 2022
|
|
4EMZ
 | |
4O1I
 | | Crystal Structure of the regulatory domain of MtbGlnR | | Descriptor: | Transcriptional regulatory protein | | Authors: | Lin, W, Wang, C, Zhang, P. | | Deposit date: | 2013-12-16 | | Release date: | 2014-04-23 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Atypical OmpR/PhoB Subfamily Response Regulator GlnR of Actinomycetes Functions as a Homodimer, Stabilized by the Unphosphorylated Conserved Asp-focused Charge Interactions
J.Biol.Chem., 289, 2014
|
|
4O1H
 | | Crystal Structure of the regulatory domain of AmeGlnR | | Descriptor: | Transcription regulator GlnR | | Authors: | Lin, W, Wang, C, Zhang, P. | | Deposit date: | 2013-12-16 | | Release date: | 2014-04-23 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Atypical OmpR/PhoB Subfamily Response Regulator GlnR of Actinomycetes Functions as a Homodimer, Stabilized by the Unphosphorylated Conserved Asp-focused Charge Interactions
J.Biol.Chem., 289, 2014
|
|
4NXL
 | | Dibenzothiophene monooxygenase (DszC) from Rhodococcus erythropolis | | Descriptor: | DszC | | Authors: | Zhang, L, Duan, X, Li, X, Rao, Z. | | Deposit date: | 2013-12-09 | | Release date: | 2014-07-23 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural insights into the stabilization of active, tetrameric DszC by its C-terminus.
Proteins, 82, 2014
|
|
7C2M
 | | Crystal structure of mycolic acid transporter MmpL3 from Mycobacterium smegmatis complexed with NITD-349 | | Descriptor: | (CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID, Chimera of drug exporters of the RND superfamily-like protein and Endolysin, N-(4,4-dimethylcyclohexyl)-4,6-bis(fluoranyl)-1H-indole-2-carboxamide, ... | | Authors: | Zhang, B, Yang, X, Hu, T, Rao, Z. | | Deposit date: | 2020-05-08 | | Release date: | 2020-12-02 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structural Basis for the Inhibition of Mycobacterial MmpL3 by NITD-349 and SPIRO.
J.Mol.Biol., 432, 2020
|
|
7BTF
 | | SARS-CoV-2 RNA-dependent RNA polymerase in complex with cofactors in reduced condition | | Descriptor: | Non-structural protein 7, Non-structural protein 8, RNA-directed RNA polymerase, ... | | Authors: | Gao, Y, Yan, L, Huang, Y, Liu, F, Cao, L, Wang, T, Wang, Q, Lou, Z, Rao, Z. | | Deposit date: | 2020-04-01 | | Release date: | 2020-04-08 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (2.95 Å) | | Cite: | Structure of the RNA-dependent RNA polymerase from COVID-19 virus.
Science, 368, 2020
|
|
4GDJ
 | |
4EN2
 | |
4G1N
 | | PKM2 in complex with an activator | | Descriptor: | MAGNESIUM ION, N-(4-{[4-(pyrazin-2-yl)piperazin-1-yl]carbonyl}phenyl)quinoline-8-sulfonamide, OXALATE ION, ... | | Authors: | Kung, C, Hixon, J, Dang, L, DeLaBarre, B, Qian, K.C. | | Deposit date: | 2012-07-10 | | Release date: | 2012-10-10 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Small Molecule Activation of PKM2 in Cancer Cells Induces Serine Auxotrophy.
Chem.Biol., 19, 2012
|
|
7XPY
 | | Crystal structure of USP7 in complex with its inhibitor | | Descriptor: | Ubiquitin carboxyl-terminal hydrolase 7, [(3S,3aR,4R,6Z,9S,10E,11aR)-9-acetyloxy-6-(acetyloxymethyl)-3,10-dimethyl-2-oxidanylidene-3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]furan-4-yl] (E)-2-methyl-4-oxidanyl-but-2-enoate | | Authors: | Feng, N, Zeng, K.W. | | Deposit date: | 2022-05-06 | | Release date: | 2022-08-24 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Neuroinflammation inhibition by small-molecule targeting USP7 noncatalytic domain for neurodegenerative disease therapy.
Sci Adv, 8, 2022
|
|
4GDI
 | | A subtype N10 neuraminidase-like protein of A/little yellow-shouldered bat/Guatemala/164/2009 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Zhu, X, Wilson, I.A. | | Deposit date: | 2012-07-31 | | Release date: | 2012-09-26 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Crystal structures of two subtype N10 neuraminidase-like proteins from bat influenza A viruses reveal a diverged putative active site.
Proc.Natl.Acad.Sci.USA, 109, 2012
|
|
7XML
 | | Cryo-EM structure of PEIP-Bs_enolase complex | | Descriptor: | Enolase, MAGNESIUM ION, Putative gene 60 protein | | Authors: | Li, S, Zhang, K. | | Deposit date: | 2022-04-26 | | Release date: | 2022-07-27 | | Last modified: | 2025-07-02 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Bacteriophage protein PEIP is a potent Bacillus subtilis enolase inhibitor.
Cell Rep, 40, 2022
|
|
8HJ5
 | | Cryo-EM structure of Gq-coupled MRGPRX1 bound with Compound-16 | | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(q) subunit alpha, ... | | Authors: | Gan, B, Yu, L.Y, Ren, R.B. | | Deposit date: | 2022-11-22 | | Release date: | 2023-05-31 | | Last modified: | 2024-11-13 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Mechanism of agonist-induced activation of the human itch receptor MRGPRX1.
Plos Biol., 21, 2023
|
|
