6XFN
 
 | | Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with UAW243 | | Descriptor: | 3C-like proteinase, GLYCEROL, UAW243 | | Authors: | Sacco, M, Ma, C, Wang, J, Chen, Y. | | Deposit date: | 2020-06-15 | | Release date: | 2020-06-24 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structure and inhibition of the SARS-CoV-2 main protease reveal strategy for developing dual inhibitors against M pro and cathepsin L.
Sci Adv, 6, 2020
|
|
6XFU
 | |
7ZCR
 | | Nitrite-bound MSOX movie series dataset 38 (30.4 MGy) of the copper nitrite reductase from Bradyrhizobium sp. ORS 375 (two-domain) - water ligand | | Descriptor: | COPPER (II) ION, Copper-containing nitrite reductase, GLYCEROL, ... | | Authors: | Rose, S.L, Baba, S, Okumura, H, Antonyuk, S.V, Sasaki, D, Tosha, T, Kumasaka, T, Eady, R.R, Yamamoto, M, Hasnain, S.S. | | Deposit date: | 2022-03-28 | | Release date: | 2022-08-03 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Single crystal spectroscopy and multiple structures from one crystal (MSOX) define catalysis in copper nitrite reductases.
Proc.Natl.Acad.Sci.USA, 119, 2022
|
|
4PS4
 | | Crystal structure of the complex between IL-13 and M1295 FAB | | Descriptor: | Interleukin-13, M1295 HEAVY CHAIN, M1295 LIGHT CHAIN | | Authors: | Teplyakov, A, Obmolova, G, Malia, T, Gilliland, G.L. | | Deposit date: | 2014-03-06 | | Release date: | 2014-03-19 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Human Framework Adaptation of a Mouse Anti-Human Il-13 Antibody.
J.Mol.Biol., 398, 2010
|
|
7ZCO
 | | Nitrite-bound MSOX movie series dataset 8 (6.4 MGy) of the copper nitrite reductase from Bradyrhizobium sp. ORS 375 (two-domain) - nitrite/NO intermediate | | Descriptor: | COPPER (II) ION, Copper-containing nitrite reductase, GLYCEROL, ... | | Authors: | Rose, S.L, Baba, S, Okumura, H, Antonyuk, S.V, Sasaki, D, Tosha, T, Kumasaka, T, Eady, R.R, Yamamoto, M, Hasnain, S.S. | | Deposit date: | 2022-03-28 | | Release date: | 2022-08-03 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.22 Å) | | Cite: | Single crystal spectroscopy and multiple structures from one crystal (MSOX) define catalysis in copper nitrite reductases.
Proc.Natl.Acad.Sci.USA, 119, 2022
|
|
7YP6
 | | Crystal structure of elaiophylin glycosyltransferase in complex with UDP | | Descriptor: | Glycosyltransferase, R-1,2-PROPANEDIOL, URIDINE-5'-DIPHOSPHATE | | Authors: | Xu, T, Liu, Q, Gan, Q, Liu, J. | | Deposit date: | 2022-08-02 | | Release date: | 2022-11-02 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Substrate-induced dimerization of elaiophylin glycosyltransferase reveals a novel self-activating form of glycosyltransferase for symmetric glycosylation.
Acta Crystallogr D Struct Biol, 78, 2022
|
|
7ZCQ
 | | Nitrite-bound MSOX movie series dataset 25 (20 MGy) of the copper nitrite reductase from Bradyrhizobium sp. ORS 375 (two-domain) - NO/water intermediate | | Descriptor: | COPPER (II) ION, Copper-containing nitrite reductase, GLYCEROL, ... | | Authors: | Rose, S.L, Baba, S, Okumura, H, Antonyuk, S.V, Sasaki, D, Tosha, T, Kumasaka, T, Eady, R.R, Yamamoto, M, Hasnain, S.S. | | Deposit date: | 2022-03-28 | | Release date: | 2022-08-03 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Single crystal spectroscopy and multiple structures from one crystal (MSOX) define catalysis in copper nitrite reductases.
Proc.Natl.Acad.Sci.USA, 119, 2022
|
|
6XBI
 | | Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor UAW248 | | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, GLYCEROL, ... | | Authors: | Sacco, M, Ma, C, Wang, J, Chen, Y. | | Deposit date: | 2020-06-06 | | Release date: | 2020-06-17 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structure and inhibition of the SARS-CoV-2 main protease reveal strategy for developing dual inhibitors against M pro and cathepsin L.
Sci Adv, 6, 2020
|
|
7ZCN
 | | Nitrite-bound MSOX movie series dataset 1 (0.8 MGy) of the copper nitrite reductase from Bradyrhizobium sp. ORS 375 (two-domain) - nitrite (start) | | Descriptor: | COPPER (II) ION, Copper-containing nitrite reductase, GLYCEROL, ... | | Authors: | Rose, S.L, Baba, S, Okumura, H, Antonyuk, S.V, Sasaki, D, Tosha, T, Kumasaka, T, Eady, R.R, Yamamoto, M, Hasnain, S.S. | | Deposit date: | 2022-03-28 | | Release date: | 2022-08-03 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.19 Å) | | Cite: | Single crystal spectroscopy and multiple structures from one crystal (MSOX) define catalysis in copper nitrite reductases.
Proc.Natl.Acad.Sci.USA, 119, 2022
|
|
7YWU
 | | Eugenol oxidase from rhodococcus jostii: mutant S81H, A423M, H434Y, S394V, I445D, S518P | | Descriptor: | 2-methoxy-4-(prop-2-en-1-yl)phenol, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | | Authors: | Alvigini, L, Mattevi, A. | | Deposit date: | 2022-02-14 | | Release date: | 2022-11-16 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure- and computational-aided engineering of an oxidase to produce isoeugenol from a lignin-derived compound.
Nat Commun, 13, 2022
|
|
7ZEI
 | | Thermostable GH159 glycoside hydrolase from Caldicellulosiruptor at 1.7 A | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, ... | | Authors: | Baudrexl, M, Fida, T, Berk, B, Schwarz, W, Zverlov, V.V, Groll, M, Liebl, W. | | Deposit date: | 2022-03-31 | | Release date: | 2022-08-03 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Biochemical and Structural Characterization of Thermostable GH159 Glycoside Hydrolases Exhibiting alpha-L-Arabinofuranosidase Activity.
Front Mol Biosci, 9, 2022
|
|
6XJ9
 | | Structure of PfGH50B | | Descriptor: | 1,2-ETHANEDIOL, Agarase | | Authors: | Pluvinage, B, Boraston, A.B. | | Deposit date: | 2020-06-23 | | Release date: | 2020-09-16 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The structure of PfGH50B, an agarase from the marine bacterium Pseudoalteromonas fuliginea PS47
Acta Crystallogr.,Sect.F, 76, 2020
|
|
7YP5
 | | Crystal structure of elaiophylin glycosyltransferase in complex with TDP | | Descriptor: | CHLORIDE ION, Glycosyltransferase, R-1,2-PROPANEDIOL, ... | | Authors: | Xu, T, Liu, Q, Gan, Q, Liu, J. | | Deposit date: | 2022-08-02 | | Release date: | 2022-11-02 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | Substrate-induced dimerization of elaiophylin glycosyltransferase reveals a novel self-activating form of glycosyltransferase for symmetric glycosylation.
Acta Crystallogr D Struct Biol, 78, 2022
|
|
7YZA
 | | Crystal structure of the zebrafish FoxH1 bound to the TGTGTATT site | | Descriptor: | DNA (5'-D(*AP*GP*AP*TP*TP*GP*TP*GP*TP*AP*TP*TP*GP*AP*GP*A)-3'), DNA (5'-D(*TP*CP*TP*CP*AP*AP*TP*AP*CP*AP*CP*AP*AP*TP*CP*T)-3'), Forkhead box protein H1, ... | | Authors: | Pluta, R, Macias, M.J. | | Deposit date: | 2022-02-19 | | Release date: | 2022-11-16 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.18 Å) | | Cite: | Molecular basis for DNA recognition by the maternal pioneer transcription factor FoxH1.
Nat Commun, 13, 2022
|
|
7YP4
 | | Crystal structure of elaiophylin glycosyltransferase in apo-form | | Descriptor: | Glycosyltransferase, R-1,2-PROPANEDIOL | | Authors: | Xu, T, Liu, Q, Gan, Q, Liu, J. | | Deposit date: | 2022-08-02 | | Release date: | 2022-11-02 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Substrate-induced dimerization of elaiophylin glycosyltransferase reveals a novel self-activating form of glycosyltransferase for symmetric glycosylation.
Acta Crystallogr D Struct Biol, 78, 2022
|
|
7Z9E
 | | Deinococcus radiodurans BphP PAS-GAF H260A/Y263F mutant | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium -2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3- yl]propanoic acid, ACETATE ION, ... | | Authors: | Takala, H. | | Deposit date: | 2022-03-21 | | Release date: | 2022-08-10 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | Conserved histidine and tyrosine determine spectral responses through the water network in Deinococcus radiodurans phytochrome.
Photochem Photobiol Sci, 21, 2022
|
|
7V7M
 | | crystal structure of SARS-CoV-2 3CL protease | | Descriptor: | 3C-like proteinase | | Authors: | Yi, Y, Zhang, M, Ye, M. | | Deposit date: | 2021-08-21 | | Release date: | 2022-06-29 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | Schaftoside inhibits 3CL pro and PL pro of SARS-CoV-2 virus and regulates immune response and inflammation of host cells for the treatment of COVID-19.
Acta Pharm Sin B, 12, 2022
|
|
6X9X
 | |
6XBH
 | | Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor UAW247 | | Descriptor: | 3C-like proteinase, GLYCEROL, SODIUM ION, ... | | Authors: | Sacco, M, Ma, C, Wang, J, Chen, Y. | | Deposit date: | 2020-06-06 | | Release date: | 2020-06-17 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structure and inhibition of the SARS-CoV-2 main protease reveal strategy for developing dual inhibitors against M pro and cathepsin L.
Sci Adv, 6, 2020
|
|
6XBM
 | | Structure of human SMO-Gi complex with 24(S),25-EC | | Descriptor: | 17-[3-(3,3-DIMETHYL-OXIRANYL)-1-METHYL-PROPYL]-10,13-DIMETHYL-2,3,4,7,8,9,10,11,12,13,14,15,16,17-TETRADECAHYDRO-1H-CYC LOPENTA[A]PHENANTHREN-3-OL, 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, ... | | Authors: | Qi, X, Long, T, Li, X. | | Deposit date: | 2020-06-06 | | Release date: | 2020-09-30 | | Last modified: | 2020-11-25 | | Method: | ELECTRON MICROSCOPY (3.15 Å) | | Cite: | Sterols in an intramolecular channel of Smoothened mediate Hedgehog signaling.
Nat.Chem.Biol., 16, 2020
|
|
6XD8
 | | Crystal Structure of Peptidylprolyl Isomerase (PrsA) Fragment from Bacillus anthracis | | Descriptor: | Foldase protein PrsA 1 | | Authors: | Minasov, G, Shuvalova, L, Kiryukhina, O, Dubrovska, I, Wiersum, G, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2020-06-10 | | Release date: | 2020-07-01 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | Crystal Structure of Peptidylprolyl Isomerase (PrsA) Fragment from Bacillus anthracis
To Be Published
|
|
7VQF
 | | Phenol binding protein, MopR | | Descriptor: | ACETATE ION, PHENOL, Phenol sensing regulator, ... | | Authors: | Singh, J, Ray, S, Anand, R. | | Deposit date: | 2021-10-19 | | Release date: | 2022-09-07 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Phenol sensing in nature is modulated via a conformational switch governed by dynamic allostery.
J.Biol.Chem., 298, 2022
|
|
7VDN
 | | High resolution crystal structure of Sperm Whale Myoglobin in the carbonmonoxy form | | Descriptor: | CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Shibayama, N, Sato-Tomita, A, Ishimoto, N, Park, S.Y. | | Deposit date: | 2021-09-07 | | Release date: | 2022-09-14 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (0.93 Å) | | Cite: | X-ray fluorescence holography of biological metal sites: Application to myoglobin.
Biochem.Biophys.Res.Commun., 635, 2022
|
|
4QDW
 | | Joint X-ray and neutron structure of Streptomyces rubiginosus D-xylose isomerase in complex with two Ni2+ ions and linear L-arabinose | | Descriptor: | L-arabinose, NICKEL (II) ION, Xylose isomerase | | Authors: | Kovalevsky, A.Y, Langan, P. | | Deposit date: | 2014-05-14 | | Release date: | 2014-09-03 | | Last modified: | 2024-02-28 | | Method: | NEUTRON DIFFRACTION (1.8 Å), X-RAY DIFFRACTION | | Cite: | L-Arabinose Binding, Isomerization, and Epimerization by D-Xylose Isomerase: X-Ray/Neutron Crystallographic and Molecular Simulation Study.
Structure, 22, 2014
|
|
7VWN
 | | The structure of an engineered PET hydrolase | | Descriptor: | CHLORIDE ION, Poly(ethylene terephthalate) hydrolase | | Authors: | Xie, W, Jia, Q. | | Deposit date: | 2021-11-11 | | Release date: | 2022-11-16 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | An engineered PET hydrolase for biodegradation of microplastics in ocean water
To Be Published
|
|
