6J21
 
 | | Crystal structure of the human NK1 substance P receptor | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 5-[[(2~{R},3~{S})-2-[(1~{R})-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-1,2-dihydro-1,2,4-triazol-3-one, Substance-P receptor,Endolysin | | Authors: | Chen, S, Lu, M, Zhang, H, Wu, B, Zhao, Q. | | Deposit date: | 2018-12-30 | | Release date: | 2019-03-06 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Human substance P receptor binding mode of the antagonist drug aprepitant by NMR and crystallography.
Nat Commun, 10, 2019
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5T09
 | | The structure of the type III effector HopBA1 | | Descriptor: | CHLORIDE ION, POTASSIUM ION, Type III secretion system effector HopBA1 | | Authors: | Cherkis, K, Machius, M, Nishimura, M.T, Dangl, J.L. | | Deposit date: | 2016-08-15 | | Release date: | 2017-02-01 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.013 Å) | | Cite: | TIR-only protein RBA1 recognizes a pathogen effector to regulate cell death in Arabidopsis.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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8Z9Z
 | | Cryo-EM structure of the insect olfactory receptor OR5-Orco heterocomplex from Acyrthosiphon pisum | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Odorant receptor, ApisOR5, ... | | Authors: | Wang, Y.D, Qiu, L, Guan, Z.Y, Wang, Q, Wang, G.R, Yin, P. | | Deposit date: | 2024-04-24 | | Release date: | 2024-06-19 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Structural basis for odorant recognition of the insect odorant receptor OR-Orco heterocomplex.
Science, 384, 2024
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8Z9A
 | | Cryo-EM structure of the insect olfactory receptor OR5-Orco heterocomplex from Acyrthosiphon pisum bound with geranyl acetate | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Odorant receptor, ApisOR5, ... | | Authors: | Wang, Y.D, Qiu, L, Guan, Z.Y, Wang, Q, Wang, G.R, Yin, P. | | Deposit date: | 2024-04-23 | | Release date: | 2024-06-19 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Structural basis for odorant recognition of the insect odorant receptor OR-Orco heterocomplex.
Science, 384, 2024
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5XS4
 | | Structure of Coxsackievirus A6 (CVA6) virus A-particle | | Descriptor: | Genome polyprotein | | Authors: | Zheng, Q.B, He, M.Z, Xu, L.F, Yu, H, Li, S.W, Cheng, T. | | Deposit date: | 2017-06-12 | | Release date: | 2017-09-27 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Atomic structures of Coxsackievirus A6 and its complex with a neutralizing antibody
Nat Commun, 8, 2017
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6CDO
 | | Structure of vaccine-elicited HIV-1 neutralizing antibody vFP16.02 in complex with HIV-1 fusion peptide residue 512-519 | | Descriptor: | HIV-1 fusion peptide 512-519, SULFATE ION, vFP16.02 Fab heavy chain, ... | | Authors: | Xu, K, Liu, K, Kwong, P.D. | | Deposit date: | 2018-02-08 | | Release date: | 2018-05-16 | | Last modified: | 2018-06-20 | | Method: | X-RAY DIFFRACTION (2.099 Å) | | Cite: | Epitope-based vaccine design yields fusion peptide-directed antibodies that neutralize diverse strains of HIV-1.
Nat. Med., 24, 2018
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6CDP
 | | Vaccine-elicited HIV-1 neutralizing antibody vFP20.01 in complex with HIV-1 fusion peptide residue 512-519 | | Descriptor: | HIV-1 fusion peptide 512-519, SULFATE ION, vFP20.01 Fab heavy chain, ... | | Authors: | Xu, K, Liu, K, Kwong, P.D. | | Deposit date: | 2018-02-08 | | Release date: | 2018-05-16 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.456 Å) | | Cite: | Epitope-based vaccine design yields fusion peptide-directed antibodies that neutralize diverse strains of HIV-1.
Nat. Med., 24, 2018
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5ZTM
 | | Crystal structure of MLE dsRBDs in complex with roX2 (R2H1) | | Descriptor: | Dosage compensation regulator, non-coding mRNA sequence roX2 | | Authors: | Lv, M.Q, Tang, Y.J. | | Deposit date: | 2018-05-04 | | Release date: | 2019-03-06 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.899 Å) | | Cite: | Structural insights reveal the specific recognition of roX RNA by the dsRNA-binding domains of the RNA helicase MLE and its indispensable role in dosage compensation in Drosophila.
Nucleic Acids Res., 47, 2019
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6AJ2
 | | The structure of ICAM-5 triggered Enterovirus D68 virus A-particle | | Descriptor: | Capsid protein VP1, Capsid protein VP2, Capsid protein VP3 | | Authors: | Zheng, Q.B, Zhu, R, Xu, L.F, He, M.Z, Yan, X.D, Cheng, T, Li, S.W. | | Deposit date: | 2018-08-26 | | Release date: | 2018-11-07 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | Atomic structures of enterovirus D68 in complex with two monoclonal antibodies define distinct mechanisms of viral neutralization
Nat Microbiol, 4, 2019
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6AJ0
 | | The structure of Enterovirus D68 mature virion | | Descriptor: | Capsid protein VP3, Capsid protein VP4, Viral protein 1, ... | | Authors: | Zheng, Q.B, Zhu, R, Xu, L.F, He, M.Z, Yan, X.D, Cheng, T, Li, S.W. | | Deposit date: | 2018-08-25 | | Release date: | 2018-11-07 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Atomic structures of enterovirus D68 in complex with two monoclonal antibodies define distinct mechanisms of viral neutralization
Nat Microbiol, 4, 2019
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6AJ9
 | | The structure of Enterovirus D68 mature virion in complex with Fab 15C5 and 11G1 | | Descriptor: | Capsid protein VP1, Capsid protein VP2, Capsid protein VP3, ... | | Authors: | Zheng, Q.B, Zhu, R, Xu, L.F, He, M.Z, Yan, X.D, Cheng, T, Li, S.W. | | Deposit date: | 2018-08-27 | | Release date: | 2018-11-07 | | Last modified: | 2024-11-06 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Atomic structures of enterovirus D68 in complex with two monoclonal antibodies define distinct mechanisms of viral neutralization
Nat Microbiol, 4, 2019
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6CDE
 | | Cryo-EM structure at 3.8 A resolution of vaccine-elicited antibody vFP20.01 in complex with HIV-1 Env BG505 DS-SOSIP, and antibodies VRC03 and PGT122 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Glycoprotein 120, ... | | Authors: | Acharya, P, Xu, K, Liu, K, Carragher, B, Potter, C.S, Kwong, P.D. | | Deposit date: | 2018-02-08 | | Release date: | 2018-05-16 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Epitope-based vaccine design yields fusion peptide-directed antibodies that neutralize diverse strains of HIV-1.
Nat. Med., 24, 2018
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6AJ3
 | | The structure of Enterovirus D68 procapsid | | Descriptor: | Capsid protein VP1, Capsid protein VP2, Capsid protein VP3 | | Authors: | Zheng, Q.B, Zhu, R, Xu, L.F, He, M.Z, Yan, X.D, Cheng, T, Li, S.W. | | Deposit date: | 2018-08-26 | | Release date: | 2018-11-07 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Atomic structures of enterovirus D68 in complex with two monoclonal antibodies define distinct mechanisms of viral neutralization
Nat Microbiol, 4, 2019
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6AJ7
 | | The structure of Enterovirus D68 mature virion in complex with Fab 15C5 | | Descriptor: | Capsid protein VP1, Capsid protein VP2, Capsid protein VP3, ... | | Authors: | Zheng, Q.B, Zhu, R, Xu, L.F, He, M.Z, Yan, X.D, Cheng, T, Li, S.W. | | Deposit date: | 2018-08-27 | | Release date: | 2018-11-07 | | Last modified: | 2024-10-16 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Atomic structures of enterovirus D68 in complex with two monoclonal antibodies define distinct mechanisms of viral neutralization
Nat Microbiol, 4, 2019
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6CDI
 | | Cryo-EM structure at 3.6 A resolution of vaccine-elicited antibody vFP16.02 in complex with HIV-1 Env BG505 DS-SOSIP, and antibodies VRC03 and PGT122 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Glycoprotein 120, ... | | Authors: | Acharya, P, Xu, K, Liu, K, Carragher, B, Potter, C.S, Kwong, P.D. | | Deposit date: | 2018-02-08 | | Release date: | 2018-05-16 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Epitope-based vaccine design yields fusion peptide-directed antibodies that neutralize diverse strains of HIV-1.
Nat. Med., 24, 2018
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6CDM
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8WB6
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8WB7
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7TEU
 | | Crystal structure of JAK2 JH1 with type II inhibitor YLIU-04-105-1 | | Descriptor: | 3-{(4S)-2-[(cyclopropanecarbonyl)amino]imidazo[1,2-b]pyridazin-6-yl}-N-{3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl}-4-methylbenzamide, GLYCEROL, Tyrosine-protein kinase JAK2 | | Authors: | Hubbard, S.R. | | Deposit date: | 2022-01-05 | | Release date: | 2023-06-21 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | New scaffolds for type II JAK2 inhibitors overcome the acquired G993A resistance mutation.
Cell Chem Biol, 30, 2023
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7UEP
 | | PANK3 complex structure with compound PZ-3860 | | Descriptor: | 1,2-ETHANEDIOL, 1-[(2R)-4-(6-chloropyridazin-3-yl)-2-methylpiperazin-1-yl]-2-(4-cyclopropylphenyl)ethan-1-one, MAGNESIUM ION, ... | | Authors: | White, S.W, Yun, M, Lee, R.E. | | Deposit date: | 2022-03-22 | | Release date: | 2023-03-29 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Development of Brain Penetrant Pyridazine Pantothenate Kinase Activators.
J.Med.Chem., 67, 2024
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7UEO
 | | PANK3 complex structure with compound PZ-3977 | | Descriptor: | 1,2-ETHANEDIOL, 6-{4-[(4-cyclopropyl-2-fluorophenyl)acetyl]piperazin-1-yl}pyridazine-3-carbonitrile, MAGNESIUM ION, ... | | Authors: | White, S.W, Yun, M, Lee, R.E. | | Deposit date: | 2022-03-22 | | Release date: | 2023-03-29 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Development of Brain Penetrant Pyridazine Pantothenate Kinase Activators.
J.Med.Chem., 67, 2024
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7UE4
 | | PANK3 complex structure with compound PZ-3855 | | Descriptor: | 1,2-ETHANEDIOL, 1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-(4-cyclopropylphenyl)ethan-1-one, ACETATE ION, ... | | Authors: | White, S.W, Yun, M, Lee, R.E. | | Deposit date: | 2022-03-21 | | Release date: | 2023-03-29 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Development of Brain Penetrant Pyridazine Pantothenate Kinase Activators.
J.Med.Chem., 67, 2024
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7UE3
 | | PANK3 complex structure with compound PZ-3804 | | Descriptor: | 1,2-ETHANEDIOL, 6-[4-({4-[(2R)-1-hydroxypropan-2-yl]phenyl}acetyl)piperazin-1-yl]pyridazine-3-carbonitrile, MAGNESIUM ION, ... | | Authors: | White, S.W, Yun, M, Lee, R.E. | | Deposit date: | 2022-03-21 | | Release date: | 2023-03-29 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | Development of Brain Penetrant Pyridazine Pantothenate Kinase Activators.
J.Med.Chem., 67, 2024
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7UEQ
 | | PANK3 complex structure with compound PZ-4061 | | Descriptor: | 1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-[4-(dimethylamino)phenyl]ethan-1-one, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | | Authors: | White, S.W, Yun, M, Lee, R.E. | | Deposit date: | 2022-03-22 | | Release date: | 2023-03-29 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Development of Brain Penetrant Pyridazine Pantothenate Kinase Activators.
J.Med.Chem., 67, 2024
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7UE5
 | | PANK3 complex structure with compound PZ-3741 | | Descriptor: | 6-[4-({4-[(2R)-1,1,1-trifluoropropan-2-yl]phenyl}acetyl)piperazin-1-yl]pyridazine-3-carbonitrile, 6-[4-({4-[(2S)-1,1,1-trifluoropropan-2-yl]phenyl}acetyl)piperazin-1-yl]pyridazine-3-carbonitrile, MAGNESIUM ION, ... | | Authors: | White, S.W, Yun, M, Lee, R.E. | | Deposit date: | 2022-03-21 | | Release date: | 2023-03-29 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Development of Brain Penetrant Pyridazine Pantothenate Kinase Activators.
J.Med.Chem., 67, 2024
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