7FAH
 
 | | Immune complex of head region of CA09 HA and neutralizing antibody 12H5 | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, ... | | Authors: | Li, T.T, Xue, W.H, Gu, Y, Li, S.W. | | Deposit date: | 2021-07-06 | | Release date: | 2022-07-06 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.151 Å) | | Cite: | Identification of a cross-neutralizing antibody that targets the receptor binding site of H1N1 and H5N1 influenza viruses.
Nat Commun, 13, 2022
|
|
7F2M
 | | Crystal structure of PDE4D catalytic domain complexed with compound 18d | | Descriptor: | (~{Z})-4-[9-[(4-fluorophenyl)methoxy]-8-methoxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-6-oxidanylidene-pyrano[3,2-b]xanthen-5-yl]oxybut-2-enoic acid, Isoform 3 of cAMP-specific 3',5'-cyclic phosphodiesterase 4D, MAGNESIUM ION, ... | | Authors: | Huang, Y.-Y, He, X, Luo, H.-B. | | Deposit date: | 2021-06-11 | | Release date: | 2021-10-20 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.20004153 Å) | | Cite: | Mangostanin Derivatives as Novel and Orally Active Phosphodiesterase 4 Inhibitors for the Treatment of Idiopathic Pulmonary Fibrosis with Improved Safety.
J.Med.Chem., 64, 2021
|
|
7F2K
 | | Crystal structure of PDE4D catalytic domain complexed with compound 17a | | Descriptor: | (~{E})-4-[8-methoxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-9-oxidanyl-6-oxidanylidene-pyrano[3,2-b]xanthen-5-yl]oxybut-2-enoic acid, Isoform 3 of cAMP-specific 3',5'-cyclic phosphodiesterase 4D, MAGNESIUM ION, ... | | Authors: | Huang, Y.-Y, He, X, Luo, H.-B. | | Deposit date: | 2021-06-11 | | Release date: | 2021-10-20 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.10001969 Å) | | Cite: | Mangostanin Derivatives as Novel and Orally Active Phosphodiesterase 4 Inhibitors for the Treatment of Idiopathic Pulmonary Fibrosis with Improved Safety.
J.Med.Chem., 64, 2021
|
|
7F2L
 | | Crystal structure of PDE4D catalytic domain complexed with compound 18a | | Descriptor: | (~{E})-4-[9-[(4-fluorophenyl)methoxy]-8-methoxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-6-oxidanylidene-pyrano[3,2-b]xanthen-5-yl]oxybut-2-enoic acid, Isoform 3 of cAMP-specific 3',5'-cyclic phosphodiesterase 4D, MAGNESIUM ION, ... | | Authors: | Huang, Y.-Y, He, X, Luo, H.-B. | | Deposit date: | 2021-06-11 | | Release date: | 2021-10-20 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.10111427 Å) | | Cite: | Mangostanin Derivatives as Novel and Orally Active Phosphodiesterase 4 Inhibitors for the Treatment of Idiopathic Pulmonary Fibrosis with Improved Safety.
J.Med.Chem., 64, 2021
|
|
7CKK
 | | Structural complex of FTO bound with Dac51 | | Descriptor: | 2-{[2,6-dichloro-4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]amino}-N-hydroxybenzamide, Alpha-ketoglutarate-dependent dioxygenase FTO, N-OXALYLGLYCINE | | Authors: | Yang, C, Gan, J. | | Deposit date: | 2020-07-17 | | Release date: | 2021-07-21 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Tumors exploit FTO-mediated regulation of glycolytic metabolism to evade immune surveillance.
Cell Metab., 33, 2021
|
|
7X7U
 | | Cryo-EM structure of SARS-CoV-2 Delta variant spike protein in complex with three nAbs X01, X10 and X17 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, X01 heavy chain, ... | | Authors: | Sun, H, Liu, L, Zhang, T, Zheng, Q, Li, S, Xia, N. | | Deposit date: | 2022-03-10 | | Release date: | 2022-08-17 | | Last modified: | 2022-11-23 | | Method: | ELECTRON MICROSCOPY (3.77 Å) | | Cite: | The neutralizing breadth of antibodies targeting diverse conserved epitopes between SARS-CoV and SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 119, 2022
|
|
7X7V
 | | Cryo-EM structure of SARS-CoV spike protein in complex with three nAbs X01, X10 and X17 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, X01 heavy chain, ... | | Authors: | Sun, H, Liu, L, Zhang, T, Zheng, Q, Li, S, Xia, N. | | Deposit date: | 2022-03-10 | | Release date: | 2022-08-17 | | Last modified: | 2022-11-23 | | Method: | ELECTRON MICROSCOPY (3.83 Å) | | Cite: | The neutralizing breadth of antibodies targeting diverse conserved epitopes between SARS-CoV and SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 119, 2022
|
|
7X7T
 | | Cryo-EM structure of SARS-CoV-2 spike protein in complex with three nAbs X01, X10 and X17 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, X01 heavy chain, ... | | Authors: | Sun, H, Liu, L, Zheng, Q, Li, S, Zhang, T, Xia, N. | | Deposit date: | 2022-03-10 | | Release date: | 2022-08-17 | | Last modified: | 2022-11-23 | | Method: | ELECTRON MICROSCOPY (3.48 Å) | | Cite: | The neutralizing breadth of antibodies targeting diverse conserved epitopes between SARS-CoV and SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 119, 2022
|
|
7C2K
 | | COVID-19 RNA-dependent RNA polymerase pre-translocated catalytic complex | | Descriptor: | Non-structural protein 7, Non-structural protein 8, RNA (29-MER), ... | | Authors: | Wang, Q, Gao, Y, Ji, W, Mu, A, Rao, Z. | | Deposit date: | 2020-05-07 | | Release date: | 2020-06-03 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (2.93 Å) | | Cite: | Structural Basis for RNA Replication by the SARS-CoV-2 Polymerase.
Cell, 182, 2020
|
|
7FAQ
 | | Crystal structure of PDE5A in complex with inhibitor L1 | | Descriptor: | 2-[(4-chlorophenyl)methyl]-5-methoxy-3,10-diazatricyclo[6.4.1.0^{4,13}]trideca-1,4(13),5,7-tetraen-9-one, MAGNESIUM ION, SULFATE ION, ... | | Authors: | Wu, D, Huang, Y.Y, Luo, H.B. | | Deposit date: | 2021-07-07 | | Release date: | 2022-05-18 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.200136 Å) | | Cite: | Free energy perturbation (FEP)-guided scaffold hopping.
Acta Pharm Sin B, 12, 2022
|
|
7FAR
 | | Crystal structure of PDE5A in complex with inhibitor L12 | | Descriptor: | 5-[bis(fluoranyl)methoxy]-2-[(4-chlorophenyl)methyl]-10-(3-methoxypropyl)-3,10-diazatricyclo[6.4.1.0^{4,13}]trideca-1,4(13),5,7-tetraen-9-one, MAGNESIUM ION, ZINC ION, ... | | Authors: | Wu, D, Huang, Y.Y, Luo, H.B. | | Deposit date: | 2021-07-07 | | Release date: | 2022-05-18 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.40006471 Å) | | Cite: | Free energy perturbation (FEP)-guided scaffold hopping.
Acta Pharm Sin B, 12, 2022
|
|
7YHK
 | | Cryo-EM structure of the HA trimer of A/Beijing/262/1995(H1N1) in complex with neutralizing antibody 12H5 | | Descriptor: | 12H5 heavy chain, 12H5 light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Zheng, Q, Li, S, Li, T, Xue, W, Sun, H. | | Deposit date: | 2022-07-13 | | Release date: | 2022-08-17 | | Last modified: | 2023-07-19 | | Method: | ELECTRON MICROSCOPY (3.14 Å) | | Cite: | Identification of a cross-neutralizing antibody that targets the receptor binding site of H1N1 and H5N1 influenza viruses.
Nat Commun, 13, 2022
|
|
7W4X
 | | Crystal structure of PDE4D catalytic domain complexed with 17 | | Descriptor: | (2R,4S)-2-(2-hydroxyethyl)-2,6-dimethyl-4-(2-methylprop-1-enyl)-3,4-dihydropyrano[3,2-c][1,8]naphthyridin-5-one, MAGNESIUM ION, ZINC ION, ... | | Authors: | Huang, Y.-Y, Luo, H.-B. | | Deposit date: | 2021-11-29 | | Release date: | 2022-03-16 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.20007324 Å) | | Cite: | Discovery and Structural Optimization of Toddacoumalone Derivatives as Novel PDE4 Inhibitors for the Topical Treatment of Psoriasis.
J.Med.Chem., 65, 2022
|
|
7W4Y
 | | Crystal structure of PDE4D catalytic domain complexed with 33a | | Descriptor: | (2R,4S)-6-ethyl-2-(2-hydroxyethyl)-2,8-dimethyl-4-(2-methylprop-1-enyl)-3,4-dihydropyrano[3,2-c][1,8]naphthyridin-5-one, MAGNESIUM ION, ZINC ION, ... | | Authors: | Huang, Y.-Y, Luo, H.-B. | | Deposit date: | 2021-11-29 | | Release date: | 2022-03-16 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.10002947 Å) | | Cite: | Discovery and Structural Optimization of Toddacoumalone Derivatives as Novel PDE4 Inhibitors for the Topical Treatment of Psoriasis.
J.Med.Chem., 65, 2022
|
|
5XKD
 | | Crystal structure of dibenzothiophene sulfone monooxygenase BdsA in complex with FMN at 2.4 angstrom | | Descriptor: | Dibenzothiophene desulfurization enzyme A, FLAVIN MONONUCLEOTIDE | | Authors: | Gu, L, Su, T, Liu, S, Su, J. | | Deposit date: | 2017-05-07 | | Release date: | 2018-05-09 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.393 Å) | | Cite: | Structural and Biochemical Characterization of BdsA fromBacillus subtilisWU-S2B, a Key Enzyme in the "4S" Desulfurization Pathway.
Front Microbiol, 9, 2018
|
|
5XKC
 | | Crystal structure of dibenzothiophene sulfone monooxygenase BdsA at 2.2 angstrome | | Descriptor: | Dibenzothiophene desulfurization enzyme A | | Authors: | Gu, L, Su, T, Liu, S, Su, J. | | Deposit date: | 2017-05-07 | | Release date: | 2018-05-09 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.209 Å) | | Cite: | Structural and Biochemical Characterization of BdsA fromBacillus subtilisWU-S2B, a Key Enzyme in the "4S" Desulfurization Pathway.
Front Microbiol, 9, 2018
|
|
7XMN
 | | Structure of SARS-CoV-2 ORF8 | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, Maltodextrin-binding protein, ... | | Authors: | Chen, X, Xu, W. | | Deposit date: | 2022-04-26 | | Release date: | 2023-05-31 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Glycosylated, Lipid-Binding, CDR-Like Domains of SARS-CoV-2 ORF8 Indicate Unique Sites of Immune Regulation.
Microbiol Spectr, 11, 2023
|
|
7WHZ
 | | SARS-CoV-2 spike protein in complex with three human neutralizing antibodies | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, IG c1437_light_IGLV1-40_IGLJ1, IG c934_light_IGKV1-5_IGKJ1, ... | | Authors: | Zheng, Q, Li, S, Sun, H, Zheng, Z, Wang, S. | | Deposit date: | 2022-01-01 | | Release date: | 2022-06-22 | | Method: | ELECTRON MICROSCOPY (3.42 Å) | | Cite: | Three SARS-CoV-2 antibodies provide broad and synergistic neutralization against variants of concern, including Omicron.
Cell Rep, 39, 2022
|
|
7WI0
 | | SARS-CoV-2 Omicron variant spike in complex with three human neutralizing antibodies | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, IG c1437_light_IGLV1-40_IGLJ1, IG c934_light_IGKV1-5_IGKJ1, ... | | Authors: | Zheng, Q, Li, S, Sun, H, Zheng, Z, Wang, S. | | Deposit date: | 2022-01-01 | | Release date: | 2022-06-22 | | Method: | ELECTRON MICROSCOPY (3.82 Å) | | Cite: | Three SARS-CoV-2 antibodies provide broad and synergistic neutralization against variants of concern, including Omicron.
Cell Rep, 39, 2022
|
|
7Y42
 | |
7D7D
 | | CryoEM structure of gp45-dependent transcription activation complex | | Descriptor: | DNA (nontemplate strand), DNA (template strand), DNA polymerase clamp, ... | | Authors: | Shi, J, Wen, A, Jin, S, Feng, Y. | | Deposit date: | 2020-10-03 | | Release date: | 2021-01-20 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (4.5 Å) | | Cite: | Transcription activation by a sliding clamp.
Nat Commun, 12, 2021
|
|
7D7C
 | | CryoEM structure of gp55-dependent RNA polymerase-promoter open complex | | Descriptor: | DNA (nontemplate strand), DNA (template strand), DNA-directed RNA polymerase subunit alpha, ... | | Authors: | Shi, J, Wen, A, Jin, S, Feng, Y. | | Deposit date: | 2020-10-03 | | Release date: | 2021-01-20 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Transcription activation by a sliding clamp.
Nat Commun, 12, 2021
|
|
7V8I
 | | LolCD(E171Q)E with bound AMPPNP in nanodiscs | | Descriptor: | Lipoprotein-releasing system ATP-binding protein LolD, Lipoprotein-releasing system transmembrane protein LolC, Lipoprotein-releasing system transmembrane protein LolE, ... | | Authors: | Bei, W.W, Luo, Q.S, Shi, H.G, Zhang, X.Z, Huang, Y.H. | | Deposit date: | 2021-08-23 | | Release date: | 2022-08-31 | | Last modified: | 2023-10-04 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Cryo-EM structures of LolCDE reveal the molecular mechanism of bacterial lipoprotein sorting in Escherichia coli.
Plos Biol., 20, 2022
|
|
7V8L
 | | LolCDE with bound RcsF in nanodiscs | | Descriptor: | (2R)-3-{[(2S)-3-HYDROXY-2-(PALMITOYLAMINO)PROPYL]THIO}PROPANE-1,2-DIYL DIHEXADECANOATE, Lipoprotein-releasing system ATP-binding protein LolD, Lipoprotein-releasing system transmembrane protein LolC, ... | | Authors: | Bei, W.W, Luo, Q.S, Shi, H.G, Zhang, X.Z, Huang, Y.H. | | Deposit date: | 2021-08-23 | | Release date: | 2022-09-21 | | Last modified: | 2023-10-04 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Cryo-EM structures of LolCDE reveal the molecular mechanism of bacterial lipoprotein sorting in Escherichia coli.
Plos Biol., 20, 2022
|
|
6JKY
 | |
