8XQW
 
 | | Cryo-EM structure of the Ycf2-FtsHi motor complex from Chlamydomonas reinhardtii in AMPPNP bound state | | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ACP, ... | | Authors: | Liang, K, Zhan, X, Wu, J, Yan, Z. | | Deposit date: | 2024-01-10 | | Release date: | 2024-09-11 | | Last modified: | 2025-06-25 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Conservation and specialization of the Ycf2-FtsHi chloroplast protein import motor in green algae.
Cell, 187, 2024
|
|
7Y6I
 | | Cryo-EM structure of human sodium-chloride cotransporter | | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Nan, J, Yang, X, Shan, Z, Yuan, Y, Zhang, Y.Q. | | Deposit date: | 2022-06-20 | | Release date: | 2022-11-23 | | Last modified: | 2024-10-23 | | Method: | ELECTRON MICROSCOPY (2.85 Å) | | Cite: | Cryo-EM structure of the human sodium-chloride cotransporter NCC.
Sci Adv, 8, 2022
|
|
8UD9
 | | Structure of human constitutive 20S proteasome complexed with the inhibitor TDI-8304 | | Descriptor: | (7S,10S,13S)-N-cyclopentyl-10-[2-(morpholin-4-yl)ethyl]-9,12-dioxo-13-(2-oxopyrrolidin-1-yl)-2-oxa-8,11-diazabicyclo[13.3.1]nonadeca-1(19),15,17-triene-7-carboxamide, Proteasome subunit alpha type-1, Proteasome subunit alpha type-2, ... | | Authors: | Hsu, H.-C, Li, H. | | Deposit date: | 2023-09-28 | | Release date: | 2023-12-20 | | Last modified: | 2024-01-03 | | Method: | ELECTRON MICROSCOPY (2.04 Å) | | Cite: | Structures revealing mechanisms of resistance and collateral sensitivity of Plasmodium falciparum to proteasome inhibitors.
Nat Commun, 14, 2023
|
|
7YG1
 | | Cryo-EM structure of the C-terminal domain of the human sodium-chloride cotransporter | | Descriptor: | Solute carrier family 12 member 3 | | Authors: | Nan, J, Yang, X.M, Shan, Z.Y, Yuan, Y.F, Zhang, Y.Q. | | Deposit date: | 2022-07-09 | | Release date: | 2022-11-23 | | Last modified: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (3.77 Å) | | Cite: | Cryo-EM structure of the human sodium-chloride cotransporter NCC.
Sci Adv, 8, 2022
|
|
7YG0
 | | Cryo-EM structure of human sodium-chloride cotransporter | | Descriptor: | Solute carrier family 12 member 3 | | Authors: | Nan, J, Yang, X.M, Shan, Z.Y, Yuan, Y.F, Zhang, Y.Q. | | Deposit date: | 2022-07-09 | | Release date: | 2022-11-23 | | Last modified: | 2024-11-13 | | Method: | ELECTRON MICROSCOPY (3.75 Å) | | Cite: | Cryo-EM structure of the human sodium-chloride cotransporter NCC.
Sci Adv, 8, 2022
|
|
2FLA
 | | Structure of thereduced HiPIP from thermochromatium tepidum at 0.95 angstrom resolution | | Descriptor: | GLYCEROL, High-potential iron-sulfur protein, IRON/SULFUR CLUSTER, ... | | Authors: | Hunsicker-Wang, L.M, Stout, C.D, Fee, J.A. | | Deposit date: | 2006-01-05 | | Release date: | 2006-12-05 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (0.95 Å) | | Cite: | Geometric factors determine, in part, the electronic state of the 4Fe-4S cluster of HiPIP: a geometric, crystallographic, and theoretical study.
To be Published
|
|
6M1S
 | | The DNA Gyrase B ATP binding domain of PSEUDOMONAS AERUGINOSA in complex with compound 12o | | Descriptor: | 3-[5-[8-(ethylamino)-6-fluoranyl-4-[3-(trifluoromethyl)pyrazol-1-yl]-9H-pyrido[2,3-b]indol-3-yl]pyrimidin-2-yl]oxy-2,2-dimethyl-propanoic acid, CHLORIDE ION, DNA gyrase subunit B, ... | | Authors: | Xu, Z.H, Zhou, Z. | | Deposit date: | 2020-02-26 | | Release date: | 2020-09-02 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.254 Å) | | Cite: | Discovery of Pyrido[2,3-b]indole Derivatives with Gram-Negative Activity Targeting Both DNA Gyrase and Topoisomerase IV.
J.Med.Chem., 63, 2020
|
|
7V2A
 | | SARS-CoV-2 Spike trimer in complex with XG014 Fab | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, The heavy chain of XG014, ... | | Authors: | Wang, K, Wang, X, Pan, L. | | Deposit date: | 2021-08-07 | | Release date: | 2021-10-20 | | Last modified: | 2024-10-16 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | An ultrapotent pan-beta-coronavirus lineage B ( beta-CoV-B) neutralizing antibody locks the receptor-binding domain in closed conformation by targeting its conserved epitope.
Protein Cell, 13, 2022
|
|
4LX4
 | | Crystal Structure Determination of Pseudomonas stutzeri endoglucanase Cel5A using a Twinned Data Set | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Endoglucanase(Endo-1,4-beta-glucanase)protein | | Authors: | Dutoit, R, Delsaute, M, Berlemont, R, Van Elder, D, Galleni, M, Bauvois, C. | | Deposit date: | 2013-07-29 | | Release date: | 2014-07-30 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.556 Å) | | Cite: | Crystal structure determination of Pseudomonas stutzeri A1501 endoglucanase Cel5A: the search for a molecular basis for glycosynthesis in GH5_5 enzymes.
Acta Crystallogr D Struct Biol, 75, 2019
|
|
8QBJ
 | | Structure of mBaoJin at pH 4.6 | | Descriptor: | CHLORIDE ION, mBaoJin | | Authors: | Samygina, V.R, Vlaskina, A.V, Gabdulkhakov, A, Subach, O.M, Subach, F.V. | | Deposit date: | 2023-08-24 | | Release date: | 2023-12-27 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Bright and stable monomeric green fluorescent protein derived from StayGold.
Nat.Methods, 21, 2024
|
|
8QDD
 | | Structure of mBaoJin at pH 8.5 | | Descriptor: | CHLORIDE ION, SULFATE ION, mBaoJin | | Authors: | Samygina, V.R, Vlaskina, A.V, Gabdulkhakov, A, Subach, O.M, Subach, F.V. | | Deposit date: | 2023-08-28 | | Release date: | 2023-12-27 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Bright and stable monomeric green fluorescent protein derived from StayGold.
Nat.Methods, 21, 2024
|
|
5AN3
 | | Structure of an Sgt1-Skp1 Complex | | Descriptor: | SGT1, SUPPRESSOR OF KINETOCHORE PROTEIN 1 | | Authors: | Willhoft, O, Vaughan, C.K. | | Deposit date: | 2015-09-03 | | Release date: | 2017-02-08 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.82 Å) | | Cite: | The crystal structure of the Sgt1-Skp1 complex: the link between Hsp90 and both SCF E3 ubiquitin ligases and kinetochores.
Sci Rep, 7, 2017
|
|
6H35
 | | Myxococcus xanthus MglA bound to GDP and Pi with mixed inactive and active switch region conformations | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, GUANOSINE-5'-DIPHOSPHATE, Mutual gliding-motility protein MglA, ... | | Authors: | Varela, P.F, Galicia, C, Cherfils, J. | | Deposit date: | 2018-07-17 | | Release date: | 2019-12-04 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | MglA functions as a three-state GTPase to control movement reversals of Myxococcus xanthus.
Nat Commun, 10, 2019
|
|
6H7E
 | | GEF regulatory domain | | Descriptor: | ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, SULFATE ION, cDNA FLJ56134, ... | | Authors: | Ferrandez, Y, Cherfils, J, Peurois, F. | | Deposit date: | 2018-07-31 | | Release date: | 2020-02-19 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Membranes prime the RapGEF EPAC1 to transduce cAMP signaling.
Nat Commun, 14, 2023
|
|
6H17
 | | Myxococcus xanthus MglA bound to GTPgammaS | | Descriptor: | 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, MAGNESIUM ION, Mutual gliding-motility protein MglA, ... | | Authors: | Galicia, C, Cherfils, J. | | Deposit date: | 2018-07-11 | | Release date: | 2019-11-27 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.275 Å) | | Cite: | MglA functions as a three-state GTPase to control movement reversals of Myxococcus xanthus.
Nat Commun, 10, 2019
|
|
6H5B
 | | Myxococcus xanthus MglA in complex with its GAP MglB and GTPgammaS | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Galicia, C, Cherfils, J. | | Deposit date: | 2018-07-24 | | Release date: | 2019-11-27 | | Last modified: | 2025-04-09 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | MglA functions as a three-state GTPase to control movement reversals of Myxococcus xanthus.
Nat Commun, 10, 2019
|
|
5GMZ
 | | Hepatitis B virus core protein Y132A mutant in complex with 4-methyl heteroaryldihydropyrimidine | | Descriptor: | (2S)-4,4-difluoro-1-[[(4S)-4-(4-fluorophenyl)-5-methoxycarbonyl-4-methyl-2-(1,3-thiazol-2-yl)-1H-pyrimidin-6-yl]methyl]pyrrolidine-2-carboxylic acid, CHLORIDE ION, Core protein, ... | | Authors: | Xu, Z.H, Zhou, Z. | | Deposit date: | 2016-07-18 | | Release date: | 2016-08-10 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Design and Synthesis of Orally Bioavailable 4-Methyl Heteroaryldihydropyrimidine Based Hepatitis B Virus (HBV) Capsid Inhibitors
J.Med.Chem., 59, 2016
|
|
8IFP
 | | SARS-CoV-2 3CL protease (3CLpro) in complex with compound 1 | | Descriptor: | (1R,2S,5S)-3-[(2S)-2-(tert-butylcarbamoylamino)-3,3-dimethyl-butanoyl]-6,6-dimethyl-N-[(2S)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5 | | Authors: | Su, H.X, Zhao, W.F, Xie, H, Nie, T.Q, Li, M.J, Xu, Y.C. | | Deposit date: | 2023-02-19 | | Release date: | 2023-10-18 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Structure-based development and preclinical evaluation of the SARS-CoV-2 3C-like protease inhibitor simnotrelvir.
Nat Commun, 14, 2023
|
|
8IFT
 | | SARS-CoV-2 3CL protease (3CLpro) in complex with compound 10 | | Descriptor: | (8S)-N-[(1S)-1-cyano-2-[(3S)-2-oxidanylidenepyrrolidin-3-yl]ethyl]-7-[(2S)-2-[(1-fluoranylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-1,4-dithia-7-azaspiro[4.4]nonane-8-carboxamide, 3C-like proteinase nsp5 | | Authors: | Su, H.X, Zhao, W.F, Xie, H, Nie, T.Q, Li, M.J, Xu, Y.C. | | Deposit date: | 2023-02-19 | | Release date: | 2023-10-18 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure-based development and preclinical evaluation of the SARS-CoV-2 3C-like protease inhibitor simnotrelvir.
Nat Commun, 14, 2023
|
|
8IFR
 | | SARS-CoV-2 3CL protease (3CLpro) in complex with compound 3 | | Descriptor: | (1R,2S,5S)-3-[(2S)-2-(tert-butylcarbamoylamino)-3,3-dimethyl-butanoyl]-6,6-dimethyl-N-[(2S)-5-oxidanylidene-1-[(3S)-2-oxidanylidenepyrrolidin-3-yl]hex-3-en-2-yl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5 | | Authors: | Su, H.X, Zhao, W.F, Xie, H, Nie, T.Q, Li, M.J, Xu, Y.C. | | Deposit date: | 2023-02-19 | | Release date: | 2023-10-18 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | Structure-based development and preclinical evaluation of the SARS-CoV-2 3C-like protease inhibitor simnotrelvir.
Nat Commun, 14, 2023
|
|
8IGX
 | | SARS-CoV-2 3CL protease (3CLpro) in complex with compound 9 (simnotrelvir, SIM0417, SSD8432) | | Descriptor: | (8~{S})-~{N}-[(1~{S})-1-cyano-2-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]ethyl]-7-[(2~{S})-3,3-dimethyl-2-[2,2,2-tris(fluoranyl)ethanoylamino]butanoyl]-1,4-dithia-7-azaspiro[4.4]nonane-8-carboxamide, 3C-like proteinase nsp5 | | Authors: | Su, H.X, Zhao, W.F, Xie, H, Nie, T.Q, Li, M.J, Xu, Y.C. | | Deposit date: | 2023-02-21 | | Release date: | 2023-10-18 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure-based development and preclinical evaluation of the SARS-CoV-2 3C-like protease inhibitor simnotrelvir.
Nat Commun, 14, 2023
|
|
8IFQ
 | | SARS-CoV-2 3CL protease (3CLpro) in complex with compound 2 | | Descriptor: | (1R,2S,5S)-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5 | | Authors: | Su, H.X, Zhao, W.F, Xie, H, Nie, T.Q, Li, M.J, Xu, Y.C. | | Deposit date: | 2023-02-19 | | Release date: | 2023-10-18 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Structure-based development and preclinical evaluation of the SARS-CoV-2 3C-like protease inhibitor simnotrelvir.
Nat Commun, 14, 2023
|
|
8IGY
 | | SARS-CoV-2 3CL protease (3CLpro) in complex with nirmatrelvir | | Descriptor: | (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5 | | Authors: | Su, H.X, Zhao, W.F, Xie, H, Nie, T.Q, Li, M.J, Xu, Y.C. | | Deposit date: | 2023-02-21 | | Release date: | 2023-10-18 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Structure-based development and preclinical evaluation of the SARS-CoV-2 3C-like protease inhibitor simnotrelvir.
Nat Commun, 14, 2023
|
|
8IFS
 | | SARS-CoV-2 3CL protease (3CLpro) in complex with compound 7 | | Descriptor: | (8~{S})-7-[(2~{S})-2-(~{tert}-butylcarbamoylamino)-3,3-dimethyl-butanoyl]-~{N}-[(1~{S})-1-cyano-2-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]ethyl]-1,4-dithia-7-azaspiro[4.4]nonane-8-carboxamide, 3C-like proteinase nsp5 | | Authors: | Su, H.X, Zhao, W.F, Xie, H, Nie, T.Q, Li, M.J, Xu, Y.C. | | Deposit date: | 2023-02-19 | | Release date: | 2023-10-18 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.46 Å) | | Cite: | Structure-based development and preclinical evaluation of the SARS-CoV-2 3C-like protease inhibitor simnotrelvir.
Nat Commun, 14, 2023
|
|
5U5S
 | |
