8JT6
 
 | | 5-HT1A-Gi in complex with compound (R)-IHCH-7179 | | Descriptor: | 1-(4-fluorophenyl)-4-[(7R)-2,5,11-triazatetracyclo[7.6.1.0^2,7.0^12,16]hexadeca-1(15),9,12(16),13-tetraen-5-yl]butan-1-one, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Chen, Z, Xu, P, Huang, S, Xu, H.E, Wang, S. | | Deposit date: | 2023-06-21 | | Release date: | 2024-02-28 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Flexible scaffold-based cheminformatics approach for polypharmacological drug design.
Cell, 187, 2024
|
|
4LSV
 | | Crystal structure of broadly and potently neutralizing antibody 3BNC117 in complex with HIV-1 clade C C1086 gp120 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, HEAVY CHAIN OF ANTIBODY 3BNC117, IMIDAZOLE, ... | | Authors: | Zhou, T, Moquin, S, Kwong, P.D. | | Deposit date: | 2013-07-23 | | Release date: | 2013-08-21 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Multidonor Analysis Reveals Structural Elements, Genetic Determinants, and Maturation Pathway for HIV-1 Neutralization by VRC01-Class Antibodies.
Immunity, 39, 2013
|
|
6NPB
 | | X-ray crystal structure of TmpA, 2-trimethylaminoethylphosphonate hydroxylase, with Fe and 2OG | | Descriptor: | 2-OXOGLUTARIC ACID, FE (II) ION, SULFATE ION, ... | | Authors: | Rajakovich, L.J, Mitchell, A.J, Boal, A.K. | | Deposit date: | 2019-01-17 | | Release date: | 2019-03-06 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | A New Microbial Pathway for Organophosphonate Degradation Catalyzed by Two Previously Misannotated Non-Heme-Iron Oxygenases.
Biochemistry, 58, 2019
|
|
7FIV
 | | Crystal structure of the complex formed by Wolbachia cytoplasmic incompatibility factors CidA and CidBND1-ND2 from wPip(Tunis) | | Descriptor: | CidA_I gamma/2 protein, CidB_I b/2 protein | | Authors: | Xiao, Y.J, Wang, W, Chen, X, Ji, X.Y, Yang, H.T. | | Deposit date: | 2021-08-01 | | Release date: | 2022-04-06 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.59 Å) | | Cite: | Crystal Structures of Wolbachia CidA and CidB Reveal Determinants of Bacteria-induced Cytoplasmic Incompatibility and Rescue.
Nat Commun, 13, 2022
|
|
7FIW
 | | Crystal structure of the complex formed by Wolbachia cytoplasmic incompatibility factors CidAwMel(ST) and CidBND1-ND2 from wPip(Pel) | | Descriptor: | ULP_PROTEASE domain-containing protein, bacteria factor 4,CidA I(Zeta/1) protein | | Authors: | Xiao, Y.J, Wang, W, Chen, X, Ji, X.Y, Yang, H.T. | | Deposit date: | 2021-08-01 | | Release date: | 2022-04-06 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.16 Å) | | Cite: | Crystal Structures of Wolbachia CidA and CidB Reveal Determinants of Bacteria-induced Cytoplasmic Incompatibility and Rescue.
Nat Commun, 13, 2022
|
|
7FIU
 | | Crystal structure of the DUB domain of Wolbachia cytoplasmic incompatibility factor CidB from wMel | | Descriptor: | ULP_PROTEASE domain-containing protein | | Authors: | Xiao, Y.J, Wang, W, Chen, X, Ji, X.Y, Yang, H.T. | | Deposit date: | 2021-08-01 | | Release date: | 2022-04-06 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Crystal Structures of Wolbachia CidA and CidB Reveal Determinants of Bacteria-induced Cytoplasmic Incompatibility and Rescue.
Nat Commun, 13, 2022
|
|
7FIT
 | | Crystal structure of Wolbachia cytoplasmic incompatibility factor CidA from wMel | | Descriptor: | bacteria factor 1 | | Authors: | Xiao, Y.J, Wang, W, Chen, X, Ji, X.Y, Yang, H.T. | | Deposit date: | 2021-08-01 | | Release date: | 2022-04-06 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Crystal Structures of Wolbachia CidA and CidB Reveal Determinants of Bacteria-induced Cytoplasmic Incompatibility and Rescue.
Nat Commun, 13, 2022
|
|
4LSQ
 | | Crystal structure of broadly and potently neutralizing antibody VRC-CH31 in complex with HIV-1 clade A/E gp120 93TH057 with LOOP D and Loop V5 from clade A strain 3415_v1_c1 | | Descriptor: | (R,R)-2,3-BUTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CADMIUM ION, ... | | Authors: | Zhou, T, Moquin, S, Kwong, P.D. | | Deposit date: | 2013-07-23 | | Release date: | 2013-08-21 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Multidonor Analysis Reveals Structural Elements, Genetic Determinants, and Maturation Pathway for HIV-1 Neutralization by VRC01-Class Antibodies.
Immunity, 39, 2013
|
|
6NTV
 | | SFTSV L endonuclease domain | | Descriptor: | RNA polymerase | | Authors: | Wang, W, Amarasinghe, G.K. | | Deposit date: | 2019-01-30 | | Release date: | 2020-01-08 | | Last modified: | 2020-07-22 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | The Cap-Snatching SFTSV Endonuclease Domain Is an Antiviral Target.
Cell Rep, 30, 2020
|
|
5BKE
 | | Crystal structure of AAD-2 in complex with Mn(II) and N-oxalylglycine | | Descriptor: | Alpha-ketoglutarate-dependent 2,4-dichlorophenoxyacetate dioxygenase, MANGANESE (II) ION, N-OXALYLGLYCINE, ... | | Authors: | Chekan, J.R, Nair, S.K. | | Deposit date: | 2019-06-02 | | Release date: | 2019-06-12 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Molecular basis for enantioselective herbicide degradation imparted by aryloxyalkanoate dioxygenases in transgenic plants.
Proc.Natl.Acad.Sci.USA, 116, 2019
|
|
8T6V
 | | Cryo-EM structure of human Anion Exchanger 1 bound to 4,4'-Diisothiocyanatostilbene-2,2'-Disulfonic Acid (DIDS) | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4,4'-Diisothiocyano-2,2'-stilbenedisulfonic acid, ... | | Authors: | Capper, M.J, Zilberg, G, Mathiharan, Y.K, Yang, S, Stone, A.C, Wacker, D. | | Deposit date: | 2023-06-18 | | Release date: | 2023-09-13 | | Last modified: | 2023-11-01 | | Method: | ELECTRON MICROSCOPY (2.95 Å) | | Cite: | Substrate binding and inhibition of the anion exchanger 1 transporter.
Nat.Struct.Mol.Biol., 30, 2023
|
|
8T6U
 | | Cryo-EM structure of human Anion Exchanger 1 bound to Dipyridamole | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-[[2-[bis(2-hydroxyethyl)amino]-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidin-6-yl]-(2-hydroxyethyl)amino]ethanol, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Capper, M.J, Zilberg, G, Mathiharan, Y.K, Yang, S, Stone, A.C, Wacker, D. | | Deposit date: | 2023-06-18 | | Release date: | 2023-09-13 | | Last modified: | 2023-11-01 | | Method: | ELECTRON MICROSCOPY (3.13 Å) | | Cite: | Substrate binding and inhibition of the anion exchanger 1 transporter.
Nat.Struct.Mol.Biol., 30, 2023
|
|
2MMA
 | | NMR-based docking model of GrxS14-BolA2 apo-heterodimer from Arabidopsis thaliana | | Descriptor: | BolA2, Monothiol glutaredoxin-S14, chloroplastic | | Authors: | Roret, T, Tsan, P, Couturier, J, Rouhier, N, Didierjean, C. | | Deposit date: | 2014-03-13 | | Release date: | 2014-07-23 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Structural and Spectroscopic Insights into BolA-Glutaredoxin Complexes.
J.Biol.Chem., 289, 2014
|
|
8T5C
 | | Lassa GPC Trimer in complex with Fab 8.11G and nanobody D5 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 8.11G Heavy Chain, 8.11G Light Chain, ... | | Authors: | Gorman, J, Kwong, P.D. | | Deposit date: | 2023-06-13 | | Release date: | 2024-01-03 | | Last modified: | 2024-01-24 | | Method: | ELECTRON MICROSCOPY (4.7 Å) | | Cite: | Cleavage-intermediate Lassa virus trimer elicits neutralizing responses, identifies neutralizing nanobodies, and reveals an apex-situated site-of-vulnerability.
Nat Commun, 15, 2024
|
|
2MM9
 | | Solution structure of reduced BolA2 from Arabidopsis thaliana | | Descriptor: | BolA2 | | Authors: | Roret, T, Tsan, P, Couturier, J, Rouhier, N, Didierjean, C. | | Deposit date: | 2014-03-13 | | Release date: | 2014-07-23 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Structural and Spectroscopic Insights into BolA-Glutaredoxin Complexes.
J.Biol.Chem., 289, 2014
|
|
6AKJ
 | | The crystal structure of EMC complex | | Descriptor: | Enhancer of rudimentary homolog,YTH domain-containing protein mmi1 fusion protein, SULFATE ION | | Authors: | Li, F. | | Deposit date: | 2018-09-01 | | Release date: | 2019-02-13 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | A conserved dimer interface connects ERH and YTH family proteins to promote gene silencing.
Nat Commun, 10, 2019
|
|
6AEG
 | | Crystal structure of xCas9 in complex with sgRNA and target DNA (GAT PAM) | | Descriptor: | DNA (25-MER), DNA (5'-D(*AP*AP*AP*GP*AP*TP*TP*AP*TP*TP*G)-3'), DNA nuclease, ... | | Authors: | Guo, M, Ren, K, Zhu, Y, Huang, Z. | | Deposit date: | 2018-08-04 | | Release date: | 2019-03-27 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.701 Å) | | Cite: | Structural insights into a high fidelity variant of SpCas9.
Cell Res., 29, 2019
|
|
7DHJ
 | | The co-crystal structure of SARS-CoV-2 main protease with the peptidomimetic inhibitor (S)-2-cinnamamido-N-((S)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)pent-4-ynamide | | Descriptor: | (2~{S})-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-2-[[(~{E})-3-phenylprop-2-enoyl]amino]pent-4-ynamide, 3C-like proteinase | | Authors: | Shang, L.Q, Wang, H, Deng, W.L, Xing, S, Wang, Y.X. | | Deposit date: | 2020-11-15 | | Release date: | 2021-11-24 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.962 Å) | | Cite: | The structure-based design of peptidomimetic inhibitors against SARS-CoV-2 3C like protease as Potent anti-viral drug candidate.
Eur.J.Med.Chem., 238, 2022
|
|
7DGB
 | |
7DGH
 | |
7DGF
 | |
7DGG
 | |
7DGI
 | |
6AEB
 | | Crystal structure of xCas9 in complex with sgRNA and target DNA (AAG PAM) | | Descriptor: | DNA (25-MER), DNA (5'-D(*AP*AP*AP*AP*AP*GP*TP*AP*TP*TP*G)-3'), DNA Nuclease, ... | | Authors: | Guo, M, Ren, K, Zhu, Y, Huang, Z. | | Deposit date: | 2018-08-04 | | Release date: | 2019-03-27 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3.004 Å) | | Cite: | Structural insights into a high fidelity variant of SpCas9.
Cell Res., 29, 2019
|
|
6B5M
 | |
