7DTE
 
 | | SARS-CoV-2 RdRP catalytic complex with T33-1 RNA | | Descriptor: | Non-structural protein 7, Non-structural protein 8, RNA (33-MER), ... | | Authors: | Wang, Q, Gong, P. | | Deposit date: | 2021-01-04 | | Release date: | 2021-10-20 | | Last modified: | 2022-11-09 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Remdesivir overcomes the S861 roadblock in SARS-CoV-2 polymerase elongation complex.
Cell Rep, 37, 2021
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8H3E
 | | Complex structure of a small molecule (SPC-14) bound SARS-CoV-2 spike protein, closed state | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 7-(6-nitro-2,3-dihydroindol-1-yl)-7-oxidanylidene-heptanoic acid, Spike glycoprotein,Fibritin | | Authors: | Meng, F, Wang, Q, Xie, Y, Ni, X, Huang, N. | | Deposit date: | 2022-10-08 | | Release date: | 2023-03-22 | | Method: | ELECTRON MICROSCOPY (3.06 Å) | | Cite: | In Silico Discovery of Small Molecule Modulators Targeting the Achilles' Heel of SARS-CoV-2 Spike Protein.
Acs Cent.Sci., 9, 2023
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8H3D
 | | Structure of apo SARS-CoV-2 spike protein with one RBD up | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein,Fibritin | | Authors: | Meng, F, Wang, Q, Xie, Y, Ni, X, Huang, N. | | Deposit date: | 2022-10-08 | | Release date: | 2023-03-22 | | Method: | ELECTRON MICROSCOPY (3.27 Å) | | Cite: | In Silico Discovery of Small Molecule Modulators Targeting the Achilles' Heel of SARS-CoV-2 Spike Protein.
Acs Cent.Sci., 9, 2023
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8HMH
 | | The closed state of RGLG2-VWA | | Descriptor: | E3 ubiquitin-protein ligase RGLG2, MAGNESIUM ION | | Authors: | Wang, Q. | | Deposit date: | 2022-12-03 | | Release date: | 2023-12-27 | | Last modified: | 2024-01-03 | | Method: | X-RAY DIFFRACTION (2.56 Å) | | Cite: | The regulation of RGLG2-VWA by Ca 2+ ions.
Biochim Biophys Acta Proteins Proteom, 1872, 2024
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7Y9J
 | | Crystal structure of P450 BM3-TMK from Bacillus megaterium in complex with 5-nitro-1,2-benzisoxazole | | Descriptor: | 5-nitro-1,2-benzoxazole, Bifunctional cytochrome P450/NADPH--P450 reductase, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Wang, Q, Zhang, L.L, Liu, W.D, Huang, J.-W, Yang, Y, Chen, C.-C, Guo, R.-T. | | Deposit date: | 2022-06-24 | | Release date: | 2023-06-28 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Engineering of a P450-based Kemp eliminase with a new mechanism
Chinese J Catal, 47, 2023
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7Y9K
 | | Crystal structure of P450 BM3-TMK from Bacillus megaterium | | Descriptor: | Bifunctional cytochrome P450/NADPH--P450 reductase, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Wang, Q, Zhang, L.L, Liu, W.D, Huang, J.-W, Yang, Y, Chen, C.-C, Guo, R.-T. | | Deposit date: | 2022-06-25 | | Release date: | 2023-06-28 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.23 Å) | | Cite: | Engineering of a P450-based Kemp eliminase with a new mechanism
Chinese J Catal, 47, 2023
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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
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7BVH
 | | Crystal structure of arabinosyltransferase EmbC2-AcpM2 complex from Mycobacterium smegmatis complexed with di-arabinose | | Descriptor: | CALCIUM ION, Integral membrane indolylacetylinositol arabinosyltransferase EmbC, Meromycolate extension acyl carrier protein, ... | | Authors: | Zhao, Y, Zhang, L, Wu, L.J, Wang, Q, Li, J, Besra, G.S, Rao, Z.H. | | Deposit date: | 2020-04-10 | | Release date: | 2020-04-29 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Structures of cell wall arabinosyltransferases with the anti-tuberculosis drug ethambutol.
Science, 368, 2020
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7BVC
 | | Cryo-EM structure of Mycobacterium smegmatis arabinosyltransferase EmbA-EmbB-AcpM2 in complex with ethambutol | | Descriptor: | 4'-PHOSPHOPANTETHEINE, CALCIUM ION, CARDIOLIPIN, ... | | Authors: | Zhang, L, Zhao, Y, Gao, Y, Wang, Q, Li, J, Besra, G.S, Rao, Z. | | Deposit date: | 2020-04-10 | | Release date: | 2020-04-29 | | Last modified: | 2020-07-01 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Structures of cell wall arabinosyltransferases with the anti-tuberculosis drug ethambutol.
Science, 368, 2020
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7BVF
 | | Cryo-EM structure of Mycobacterium tuberculosis arabinosyltransferase EmbA-EmbB-AcpM2 in complex with ethambutol | | Descriptor: | CALCIUM ION, CARDIOLIPIN, Ethambutol, ... | | Authors: | Zhang, L, Zhao, Y, Gao, Y, Wang, Q, Li, J, Besra, G.S, Rao, Z. | | Deposit date: | 2020-04-10 | | Release date: | 2020-04-29 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (2.97 Å) | | Cite: | Structures of cell wall arabinosyltransferases with the anti-tuberculosis drug ethambutol.
Science, 368, 2020
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7BVE
 | | Cryo-EM structure of Mycobacterium smegmatis arabinosyltransferase EmbC2-AcpM2 in complex with ethambutol | | Descriptor: | CALCIUM ION, Ethambutol, Integral membrane indolylacetylinositol arabinosyltransferase EmbC, ... | | Authors: | Zhang, L, Zhao, Y, Gao, Y, Wang, Q, Li, J, Besra, G.S, Rao, Z. | | Deposit date: | 2020-04-10 | | Release date: | 2020-04-29 | | Last modified: | 2020-07-01 | | Method: | ELECTRON MICROSCOPY (2.81 Å) | | Cite: | Structures of cell wall arabinosyltransferases with the anti-tuberculosis drug ethambutol.
Science, 368, 2020
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7BVG
 | | Cryo-EM structure of Mycobacterium smegmatis arabinosyltransferase EmbA-EmbB-AcpM2 in complex with di-arabinose. | | Descriptor: | 4'-PHOSPHOPANTETHEINE, CALCIUM ION, CARDIOLIPIN, ... | | Authors: | Zhang, L, Zhao, Y, Gao, Y, Wang, Q, Li, J, Besra, G.S, Rao, Z. | | Deposit date: | 2020-04-10 | | Release date: | 2020-04-29 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structures of cell wall arabinosyltransferases with the anti-tuberculosis drug ethambutol.
Science, 368, 2020
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1KAK
 | | Human Tyrosine Phosphatase 1B Complexed with an Inhibitor | | Descriptor: | PROTEIN-TYROSINE PHOSPHATASE, NON-RECEPTOR TYPE 1, {[7-(DIFLUORO-PHOSPHONO-METHYL)-NAPHTHALEN-2-YL]-DIFLUORO-METHYL}-PHOSPHONIC ACID | | Authors: | Jia, Z, Ye, Q, Dinaut, A.N, Wang, Q, Waddleton, D, Payette, P, Ramachandran, C, Kennedy, B, Hum, G, Taylor, S.D. | | Deposit date: | 2001-11-02 | | Release date: | 2002-06-19 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure of protein tyrosine phosphatase 1B in complex with inhibitors bearing two phosphotyrosine mimetics.
J.Med.Chem., 44, 2001
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1KAV
 | | Human Tyrosine Phosphatase 1B Complexed with an Inhibitor | | Descriptor: | PROTEIN-TYROSINE PHOSPHATASE, NON-RECEPTOR TYPE 1, [(4-{4-[4-(DIFLUORO-PHOSPHONO-METHYL)-PHENYL]-BUTYL}-PHENYL)-DIFLUORO-METHYL]-PHOSPHONIC ACID | | Authors: | Jia, Z, Ye, Q, Dinaut, A.N, Wang, Q, Waddleton, D, Payette, P, Ramachandran, C, Kennedy, B, Hum, G, Taylor, S.D. | | Deposit date: | 2001-11-03 | | Release date: | 2002-06-19 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Structure of protein tyrosine phosphatase 1B in complex with inhibitors bearing two phosphotyrosine mimetics.
J.Med.Chem., 44, 2001
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7C01
 | | Molecular basis for a potent human neutralizing antibody targeting SARS-CoV-2 RBD | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CB6 heavy chain, CB6 light chain, ... | | Authors: | Shi, R, Qi, J, Wang, Q, Gao, F.G, Yan, J. | | Deposit date: | 2020-04-29 | | Release date: | 2020-05-27 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.88 Å) | | Cite: | A human neutralizing antibody targets the receptor-binding site of SARS-CoV-2.
Nature, 584, 2020
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8DOL
 | | Mechanism of regulation of the Helicobacter pylori Cagbeta ATPase by CagZ | | Descriptor: | Cag pathogenicity island protein (Cag5), DI(HYDROXYETHYL)ETHER, SULFATE ION | | Authors: | Wu, X, Zhao, Y, Yang, W, Sun, L, Ye, X, Jiang, M, Wang, Q, Wang, Q, Zhang, X, Wu, Y. | | Deposit date: | 2022-07-13 | | Release date: | 2023-02-15 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Mechanism of regulation of the Helicobacter pylori Cag beta ATPase by CagZ.
Nat Commun, 14, 2023
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7BOK
 | | Cryo-EM structure of the encapsulated DyP-type peroxidase from Mycobacterium smegmatis | | Descriptor: | Dyp-type peroxidase, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Tang, Y.T, Mu, A, Gong, H.R, Wang, Q, Rao, Z.H. | | Deposit date: | 2020-03-19 | | Release date: | 2021-03-24 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Cryo-EM structure of Mycobacterium smegmatis DyP-loaded encapsulin.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7BOJ
 | | Cryo-EM structure of the encapsulin shell from Mycobacterium smegmatis | | Descriptor: | 29 kDa antigen Cfp29 | | Authors: | Tang, Y.T, Mu, A, Gong, H.R, Wang, Q, Rao, Z.H. | | Deposit date: | 2020-03-19 | | Release date: | 2021-03-24 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (2.5 Å) | | Cite: | Cryo-EM structure of Mycobacterium smegmatis DyP-loaded encapsulin.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7YTL
 | | Structure of a oxidoreductase in complex with quinone | | Descriptor: | Apoptosis inducing factor mitochondria associated 2, FLAVIN-ADENINE DINUCLEOTIDE, UBIQUINONE-1 | | Authors: | Lv, Y, Sun, Q, Wang, Q, Zhu, D. | | Deposit date: | 2022-08-15 | | Release date: | 2023-08-23 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.62 Å) | | Cite: | Structural insights into FSP1 catalysis and ferroptosis inhibition.
Nat Commun, 14, 2023
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6CXC
 | | 3.9A Cryo-EM structure of murine antibody bound at a novel epitope of respiratory syncytial virus fusion protein | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Fusion glycoprotein F0, Envelope glycoprotein chimera, ... | | Authors: | Xie, Q, Wang, Z, Chen, X, Ni, F, Ma, J, Wang, Q. | | Deposit date: | 2018-04-02 | | Release date: | 2019-07-31 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Structure basis of neutralization by a novel site II/IV antibody against respiratory syncytial virus fusion protein.
Plos One, 14, 2019
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7ORR
 | | Non-structural protein 10 (nsp10) from SARS CoV-2 in complex with fragment VT00022 | | Descriptor: | 4-PHENYL-1H-IMIDAZOLE, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Talibov, V.O, Kozielski, F, Sele, C, Lou, J, Dong, D, Wang, Q, Shi, X, Nyblom, M, Rogstam, A, Krojer, T, Knecht, W, Fisher, S.Z. | | Deposit date: | 2021-06-06 | | Release date: | 2021-10-20 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Identification of fragments binding to SARS-CoV-2 nsp10 reveals ligand-binding sites in conserved interfaces between nsp10 and nsp14/nsp16.
Rsc Chem Biol, 3, 2022
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7ORV
 | | Non-structural protein 10 (nsp10) from SARS CoV-2 in complex with fragment VT00239 | | Descriptor: | CHLORIDE ION, DIMETHYL SULFOXIDE, GLYCEROL, ... | | Authors: | Talibov, V.O, Kozielski, F, Sele, C, Lou, J, Dong, D, Wang, Q, Shi, X, Nyblom, M, Rogstam, A, Krojer, T, Knecht, W, Fisher, S.Z. | | Deposit date: | 2021-06-06 | | Release date: | 2021-10-20 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Identification of fragments binding to SARS-CoV-2 nsp10 reveals ligand-binding sites in conserved interfaces between nsp10 and nsp14/nsp16.
Rsc Chem Biol, 3, 2022
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7ORW
 | | Non-structural protein 10 (nsp10) from SARS CoV-2 in complex with fragment VT00265 | | Descriptor: | 1H-benzimidazol-4-amine, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Talibov, V.O, Kozielski, F, Sele, C, Lou, J, Dong, D, Wang, Q, Shi, X, Nyblom, M, Rogstam, A, Krojer, T, Knecht, W, Fisher, S.Z. | | Deposit date: | 2021-06-06 | | Release date: | 2021-10-20 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Identification of fragments binding to SARS-CoV-2 nsp10 reveals ligand-binding sites in conserved interfaces between nsp10 and nsp14/nsp16.
Rsc Chem Biol, 3, 2022
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7ORU
 | | Non-structural protein 10 (nsp10) from SARS CoV-2 in complex with fragment VT00221 | | Descriptor: | CHLORIDE ION, DIMETHYL SULFOXIDE, GLYCEROL, ... | | Authors: | Talibov, V.O, Kozielski, F, Sele, C, Lou, J, Dong, D, Wang, Q, Shi, X, Nyblom, M, Rogstam, A, Krojer, T, Knecht, W, Fisher, S.Z. | | Deposit date: | 2021-06-06 | | Release date: | 2021-10-20 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | Identification of fragments binding to SARS-CoV-2 nsp10 reveals ligand-binding sites in conserved interfaces between nsp10 and nsp14/nsp16.
Rsc Chem Biol, 3, 2022
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1M8T
 | | Structure of an acidic Phospholipase A2 from the venom of Ophiophagus hannah at 2.1 resolution from a hemihedrally twinned crystal form | | Descriptor: | CALCIUM ION, HEXANE-1,6-DIOL, Phospholipase a2 | | Authors: | Xu, S, Gu, L, Wang, Q, Shu, Y, Lin, Z. | | Deposit date: | 2002-07-26 | | Release date: | 2003-09-02 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure of a king cobra phospholipase A2 determined from a hemihedrally twinned crystal.
Acta Crystallogr.,Sect.D, 59, 2003
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