7CR2
 
 | | human KCNQ2 in complex with retigabine | | Descriptor: | Potassium voltage-gated channel subfamily KQT member 2, ethyl N-[2-azanyl-4-[(4-fluorophenyl)methylamino]phenyl]carbamate | | Authors: | Li, X, Lv, D, Wang, J, Ye, S, Guo, J. | | Deposit date: | 2020-08-12 | | Release date: | 2020-09-16 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Molecular basis for ligand activation of the human KCNQ2 channel.
Cell Res., 31, 2021
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7C44
 | | Crystal structure of the p53-binding domain of human MdmX protein in complex with Nutlin3a | | Descriptor: | 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, 4-({(4S,5R)-4,5-bis(4-chlorophenyl)-2-[4-methoxy-2-(propan-2-yloxy)phenyl]-4,5-dihydro-1H-imidazol-1-yl}carbonyl)piperazin-2-one, Protein Mdm4 | | Authors: | Cheng, X.Y, Zhang, B.L, Kuang, Z.K, Yang, J, Li, Z.C, Yu, J.P, Zhao, Z.T, Cao, C.Z, Su, Z.D. | | Deposit date: | 2020-05-15 | | Release date: | 2020-06-17 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Crystal structure of the p53-binding domain of human MdmX protein in complex with Nutlin3a
To Be Published
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7C3Q
 | | Human MdmX protein in complex with Nutlin3a | | Descriptor: | 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, 4-({(4S,5R)-4,5-bis(4-chlorophenyl)-2-[4-methoxy-2-(propan-2-yloxy)phenyl]-4,5-dihydro-1H-imidazol-1-yl}carbonyl)piperazin-2-one, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Su, Z.D, Cheng, X.Y, Zhang, B.L, Kuang, Z.K, Yang, J, Li, Z.C, Yu, J.P, Zhao, Z.T, Cao, C.Z. | | Deposit date: | 2020-05-13 | | Release date: | 2020-06-10 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.801 Å) | | Cite: | Human MdmX protein in complex with Nutlin3a
To Be Published
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7CR7
 | | human KCNQ2-CaM in complex with retigabine | | Descriptor: | Calmodulin-3, Potassium voltage-gated channel subfamily KQT member 2, ethyl N-[2-azanyl-4-[(4-fluorophenyl)methylamino]phenyl]carbamate | | Authors: | Li, X, Lv, D, Wang, J, Ye, S, Guo, J. | | Deposit date: | 2020-08-12 | | Release date: | 2020-09-16 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Molecular basis for ligand activation of the human KCNQ2 channel.
Cell Res., 31, 2021
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7CR4
 | | human KCNQ2-CaM in complex with ztz240 | | Descriptor: | Calmodulin-3, N-(6-chloranylpyridin-3-yl)-4-fluoranyl-benzamide, Potassium voltage-gated channel subfamily KQT member 2 | | Authors: | Li, X, Lv, D, Wang, J, Ye, S, Guo, J. | | Deposit date: | 2020-08-12 | | Release date: | 2020-09-16 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Molecular basis for ligand activation of the human KCNQ2 channel.
Cell Res., 31, 2021
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3RLR
 | | Co-crystal structure of the HSP90 ATP binding domain in complex with 4-(2,4-dichloro-5-methoxyphenyl)-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile | | Descriptor: | 4-(2,4-dichloro-5-methoxyphenyl)-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, Heat shock protein HSP 90-alpha, PHOSPHATE ION | | Authors: | Kung, P.-P, Sinnema, P.-J, Richardson, P, Hickey, M.J, Gajiwala, K.S, Wang, F, Huang, B, McClellan, G, Wang, J, Maegley, K, Bergqvist, S, Mehta, P.P, Kania, R. | | Deposit date: | 2011-04-20 | | Release date: | 2011-06-08 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Design strategies to target crystallographic waters applied to the Hsp90 molecular chaperone.
Bioorg.Med.Chem.Lett., 21, 2011
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7CR1
 | | human KCNQ2 in complex with ztz240 | | Descriptor: | N-(6-chloranylpyridin-3-yl)-4-fluoranyl-benzamide, Potassium voltage-gated channel subfamily KQT member 2 | | Authors: | Li, X, Lv, D, Wang, J, Ye, S, Guo, J. | | Deposit date: | 2020-08-12 | | Release date: | 2020-09-16 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Molecular basis for ligand activation of the human KCNQ2 channel.
Cell Res., 31, 2021
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2MLB
 | | NMR solution structure of a computational designed protein based on template of human erythrocytic ubiquitin | | Descriptor: | redesigned ubiquitin | | Authors: | Xiong, P, Wang, M, Zhang, J, Chen, Q, Liu, H. | | Deposit date: | 2014-02-21 | | Release date: | 2014-10-29 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Protein design with a comprehensive statistical energy function and boosted by experimental selection for foldability
Nat Commun, 5, 2014
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2MN4
 | | NMR solution structure of a computational designed protein based on structure template 1cy5 | | Descriptor: | Computational designed protein based on structure template 1cy5 | | Authors: | Xiong, P, Wang, M, Zhang, J, Chen, Q, Liu, H. | | Deposit date: | 2014-03-28 | | Release date: | 2014-10-29 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Protein design with a comprehensive statistical energy function and boosted by experimental selection for foldability
Nat Commun, 5, 2014
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2LI6
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3TI5
 | | Crystal structure of 2009 pandemic H1N1 neuraminidase complexed with Zanamivir | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, CALCIUM ION, ... | | Authors: | Vavricka, C.J, Li, Q, Wu, Y, Qi, J, Wang, M, Liu, Y, Gao, F, Liu, J, Feng, E, He, J, Wang, J, Liu, H, Jiang, H, Gao, G.F. | | Deposit date: | 2011-08-20 | | Release date: | 2011-11-16 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural and functional analysis of laninamivir and its octanoate prodrug reveals group specific mechanisms for influenza NA inhibition
Plos Pathog., 7, 2011
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2GF7
 | | Double tudor domain structure | | Descriptor: | Jumonji domain-containing protein 2A, SULFATE ION | | Authors: | Huang, Y, Fang, J, Bedford, M.T, Zhang, Y, Xu, R.M. | | Deposit date: | 2006-03-21 | | Release date: | 2006-05-02 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Recognition of histone H3 lysine-4 methylation by the double tudor domain of JMJD2A
Science, 312, 2006
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3TJ0
 | | Crystal Structure of Influenza B Virus Nucleoprotein | | Descriptor: | Nucleoprotein | | Authors: | Ng, A.K.L, Zhang, H, Liu, J, Au, S.W.N, Wang, J, Shaw, P.C. | | Deposit date: | 2011-08-23 | | Release date: | 2012-06-20 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (3.233 Å) | | Cite: | Structural basis for RNA binding and homo-oligomer formation by influenza B virus nucleoprotein
J.Virol., 86, 2012
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3TI6
 | | Crystal structure of 2009 pandemic H1N1 neuraminidase complexed with oseltamivir | | Descriptor: | (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ... | | Authors: | Vavricka, C.J, Li, Q, Wu, Y, Qi, J, Wang, M, Liu, Y, Gao, F, Liu, J, Feng, E, He, J, Wang, J, Liu, H, Jiang, H, Gao, G.F. | | Deposit date: | 2011-08-20 | | Release date: | 2011-11-23 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Structural and functional analysis of laninamivir and its octanoate prodrug reveals group specific mechanisms for influenza NA inhibition
Plos Pathog., 7, 2011
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3TIB
 | | Crystal structure of 1957 pandemic H2N2 neuraminidase complexed with laninamivir octanoate | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5-acetamido-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-7-O-methyl-9-O-octanoyl-D-glycero-D-galacto-non-2-enonic acid, CALCIUM ION, ... | | Authors: | Vavricka, C.J, Li, Q, Wu, Y, Qi, J, Wang, M, Liu, Y, Gao, F, Liu, J, Feng, E, He, J, Wang, J, Liu, H, Jiang, H, Gao, G.F. | | Deposit date: | 2011-08-20 | | Release date: | 2011-11-16 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.201 Å) | | Cite: | Structural and functional analysis of laninamivir and its octanoate prodrug reveals group specific mechanisms for influenza NA inhibition
Plos Pathog., 7, 2011
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7Y5X
 | | CryoEM structure of PS2-containing gamma-secretase treated with MRK-560 | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Guo, X, Wang, Y, Zhou, J, Jin, C, Wang, J, Jia, B, Jing, D, Yan, C, Lei, J, Zhou, R, Shi, Y. | | Deposit date: | 2022-06-17 | | Release date: | 2022-11-02 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Molecular basis for isoform-selective inhibition of presenilin-1 by MRK-560.
Nat Commun, 13, 2022
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7Y5T
 | | CryoEM structure of PS1-containing gamma-secretase in complex with MRK-560 | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Guo, X, Wang, Y, Zhou, J, Jin, C, Wang, J, Jia, B, Jing, D, Yan, C, Lei, J, Zhou, R, Shi, Y. | | Deposit date: | 2022-06-17 | | Release date: | 2022-11-02 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Molecular basis for isoform-selective inhibition of presenilin-1 by MRK-560.
Nat Commun, 13, 2022
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7Y5Z
 | | CryoEM structure of human PS2-containing gamma-secretase | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Guo, X, Wang, Y, Zhou, J, Jin, C, Wang, J, Jia, B, Jing, D, Yan, C, Lei, J, Zhou, R, Shi, Y. | | Deposit date: | 2022-06-18 | | Release date: | 2022-11-02 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Molecular basis for isoform-selective inhibition of presenilin-1 by MRK-560.
Nat Commun, 13, 2022
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4QPG
 | | Crystal structure of empty hepatitis A virus | | Descriptor: | CHLORIDE ION, Capsid protein VP0, Capsid protein VP1, ... | | Authors: | Wang, X, Ren, J, Gao, Q, Hu, Z, Sun, Y, Li, X, Rowlands, D.J, Yin, W, Wang, J, Stuart, D.I, Rao, Z, Fry, E.E. | | Deposit date: | 2014-06-23 | | Release date: | 2014-10-15 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Hepatitis A virus and the origins of picornaviruses.
Nature, 517, 2015
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3TIC
 | | Crystal structure of 1957 pandemic H2N2 neuraminidase complexed with zanamivir | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Vavricka, C.J, Li, Q, Wu, Y, Qi, J, Wang, M, Liu, Y, Gao, F, Liu, J, Feng, E, He, J, Wang, J, Liu, H, Jiang, H, Gao, G.F. | | Deposit date: | 2011-08-20 | | Release date: | 2011-11-16 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Structural and functional analysis of laninamivir and its octanoate prodrug reveals group specific mechanisms for influenza NA inhibition
Plos Pathog., 7, 2011
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3TIA
 | | Crystal structure of 1957 pandemic H2N2 neuraminidase complexed with laninamivir | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5-acetamido-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-7-O-methyl-D-glycero-D-galacto-non-2-enonic acid, ... | | Authors: | Vavricka, C.J, Li, Q, Wu, Y, Qi, J, Wang, M, Liu, Y, Gao, F, Liu, J, Feng, E, He, J, Wang, J, Liu, H, Jiang, H, Gao, G.F. | | Deposit date: | 2011-08-20 | | Release date: | 2011-11-16 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural and functional analysis of laninamivir and its octanoate prodrug reveals group specific mechanisms for influenza NA inhibition
Plos Pathog., 7, 2011
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7L83
 | | NMR solution structure of Nav1.5 DIV S3b-S4a paddle motif in DPC micelle | | Descriptor: | Sodium channel protein type 5 subunit alpha | | Authors: | Hussein, A.K, Bhuiyan, M.H, Arshava, B, Zhuang, J, Poget, S.F. | | Deposit date: | 2020-12-30 | | Release date: | 2021-06-02 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | NMR solution structure and analysis of isolated S3b-S4a motif of repeat IV of the human cardiac sodium channel
Biorxiv, 2021
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6ILD
 | | Crystal Structure of Human LysRS: P38/AIMP2 Complex II | | Descriptor: | 5'-O-[(S)-hydroxy(methyl)phosphoryl]adenosine, Aminoacyl tRNA synthase complex-interacting multifunctional protein 2, GLYCEROL, ... | | Authors: | Hei, Z, Liu, Z, Wang, J, Fang, P. | | Deposit date: | 2018-10-17 | | Release date: | 2019-02-27 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.882 Å) | | Cite: | Retractile lysyl-tRNA synthetase-AIMP2 assembly in the human multi-aminoacyl-tRNA synthetase complex.
J. Biol. Chem., 294, 2019
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6ILH
 | | Crystal Structure of human lysyl-tRNA synthetase L350H mutant | | Descriptor: | 5'-O-[(L-LYSYLAMINO)SULFONYL]ADENOSINE, Lysine-tRNA ligase | | Authors: | Hei, Z, Liu, Z, Wang, J, Fang, P. | | Deposit date: | 2018-10-18 | | Release date: | 2019-02-27 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.501 Å) | | Cite: | Retractile lysyl-tRNA synthetase-AIMP2 assembly in the human multi-aminoacyl-tRNA synthetase complex.
J. Biol. Chem., 294, 2019
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7Y7Y
 | | Cryo-EM structure of human GABA transporter GAT1 bound with nipecotic acid in NaCl solution in an inward-occluded state at 2.4 angstrom | | Descriptor: | (3R)-piperidine-3-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | | Authors: | Zhu, A, Huang, J, Kong, F, Tan, J, Lei, J, Yuan, Y, Yan, C. | | Deposit date: | 2022-06-22 | | Release date: | 2023-04-26 | | Last modified: | 2024-10-09 | | Method: | ELECTRON MICROSCOPY (2.4 Å) | | Cite: | Molecular basis for substrate recognition and transport of human GABA transporter GAT1.
Nat.Struct.Mol.Biol., 30, 2023
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