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7DQ7
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BU of 7dq7 by Molmil
Cryo-EM structure of Coxsackievirus B1 mature virion in complex with nAb 5F5
Descriptor: 5F5 VH, 5F5 VL, Capsid protein VP4, ...
Authors:Li, S, Zhu, R, Xu, L, Cheng, T, Zheng, Q.
Deposit date:2020-12-22
Release date:2021-05-05
Last modified:2025-06-18
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Cryo-EM structures reveal the molecular basis of receptor-initiated coxsackievirus uncoating.
Cell Host Microbe, 29, 2021
6N47
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BU of 6n47 by Molmil
The structure of SB-2-204-tubulin complex
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-(2-chloropyrido[3,2-d]pyrimidin-4-yl)-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one, CALCIUM ION, ...
Authors:Arnst, K, Banerjee, S, Wang, Y, Li, W, Miller, D, Li, W.
Deposit date:2018-11-17
Release date:2019-11-13
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:X-ray Crystal Structure Guided Discovery and Antitumor Efficacy of Dihydroquinoxalinone as Potent Tubulin Polymerization Inhibitors.
Acs Chem.Biol., 14, 2019
5T09
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BU of 5t09 by Molmil
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
9J1I
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BU of 9j1i by Molmil
Apo structure of the F2Y224-FtmOx1 mutant with metal Iron
Descriptor: COBALT (II) ION, FE (II) ION, Verruculogen synthase
Authors:Wang, X.Y, Wang, J, Yan, W.P.
Deposit date:2024-08-05
Release date:2025-03-19
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Characterizing Y224 conformational flexibility in FtmOx1-catalysis using 19 F NMR spectroscopy.
Catalysis Science And Technology, 15, 2025
9J1H
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BU of 9j1h by Molmil
The binary complex structure of F2Y224-FtmOx1 mutant with alpha-ketoglutarate
Descriptor: 2-OXOGLUTARIC ACID, COBALT (II) ION, GLYCEROL, ...
Authors:Wang, X.Y, Wang, J, Yan, W.P.
Deposit date:2024-08-05
Release date:2025-03-19
Method:X-RAY DIFFRACTION (2 Å)
Cite:Characterizing Y224 conformational flexibility in FtmOx1-catalysis using 19 F NMR spectroscopy.
Catalysis Science And Technology, 15, 2025
7RN2
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BU of 7rn2 by Molmil
Crystal structure of the first bromodomain of human BRD4 in complex with SJ001010551-2
Descriptor: 1,2-ETHANEDIOL, 2-[(6S,10S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]-N-[(pyridin-2-yl)methyl]acetamide, Bromodomain-containing protein 4
Authors:Stachowski, T.R, Fischer, M.
Deposit date:2021-07-28
Release date:2022-08-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:From PROTAC to inhibitor: Structure-guided discovery of potent and orally bioavailable BET inhibitors.
Eur.J.Med.Chem., 251, 2023
7RMD
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BU of 7rmd by Molmil
Crystal structure of the first bromodomain of human BRD4 in complex with SJ001011461-1
Descriptor: 1,2-ETHANEDIOL, 2-[(6S,10R)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide, Bromodomain-containing protein 4
Authors:Stachowski, T.R, Fischer, M.
Deposit date:2021-07-27
Release date:2022-08-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.18 Å)
Cite:From PROTAC to inhibitor: Structure-guided discovery of potent and orally bioavailable BET inhibitors.
Eur.J.Med.Chem., 251, 2023
8XSS
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BU of 8xss by Molmil
Cryo-EM structure of MsRv1273c/72c from Mycobacterium smegmatis in the ADP-bound IFasym-3 state (ATP 37 degrees C treated
Descriptor: ABC transporter transmembrane region, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Yu, J, Li, J.
Deposit date:2024-01-09
Release date:2025-05-14
Method:ELECTRON MICROSCOPY (3.33 Å)
Cite:Structure and mechanism of a mycobacterial isoniazid efflux pump MsRv1273c/72c with a degenerate nucleotide-binding site.
Nat Commun, 16, 2025
8XSR
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BU of 8xsr by Molmil
Cryo-EM structure of MsRv1273c/72c from Mycobacterium smegmatis in the ATP|ADP-bound IFasym-2 state
Descriptor: ABC transporter transmembrane region, ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Yu, J, Li, J.
Deposit date:2024-01-09
Release date:2025-05-14
Method:ELECTRON MICROSCOPY (2.93 Å)
Cite:Structure and mechanism of a mycobacterial isoniazid efflux pump MsRv1273c/72c with a degenerate nucleotide-binding site.
Nat Commun, 16, 2025
8XST
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BU of 8xst by Molmil
Cryo-EM structure of MsRv1273c/72c from Mycobacterium smegmatis in the ADP-bound IFasym-3 state (ADP 4 degrees C treated)
Descriptor: ABC transporter transmembrane region, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Yu, J, Li, J.
Deposit date:2024-01-09
Release date:2025-05-14
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structure and mechanism of a mycobacterial isoniazid efflux pump MsRv1273c/72c with a degenerate nucleotide-binding site.
Nat Commun, 16, 2025
8F5Y
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BU of 8f5y by Molmil
Crystal structure of pregnane X receptor ligand binding domain complexed with JQ1
Descriptor: (6S)-6-(2-tert-butoxy-2-oxoethyl)-4-(4-chlorophenyl)-2,3,9-trimethyl-6,7-dihydrothieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-10-ium, Nuclear receptor coactivator 1, Nuclear receptor subfamily 1 group I member 2
Authors:Huber, A.D, Poudel, S, Seetharaman, J, Miller, D.J, Chen, T.
Deposit date:2022-11-15
Release date:2024-02-21
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:A bromodomain-independent mechanism of gene regulation by the BET inhibitor JQ1: direct activation of nuclear receptor PXR.
Nucleic Acids Res., 52, 2024
4NQF
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BU of 4nqf by Molmil
Crystal structure of HEPN domain protein
Descriptor: Nucleotidyltransferase
Authors:Padavannil, A, Jobichen, C, Sivaraman, J.
Deposit date:2013-11-25
Release date:2014-03-26
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Dimerization of VirD2 Binding Protein Is Essential for Agrobacterium Induced Tumor Formation in Plants
Plos Pathog., 10, 2014
6CDO
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BU of 6cdo by Molmil
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:2024-12-25
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
6CDP
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BU of 6cdp by Molmil
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
6CDE
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BU of 6cde by Molmil
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:2024-12-25
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
6CDI
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BU of 6cdi by Molmil
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:2024-12-25
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
6CDM
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BU of 6cdm by Molmil
Structure of vaccine-elicited HIV-1 neutralizing antibody vFP7.04 in complex with HIV-1 fusion peptide residue 512-519
Descriptor: HIV fusion peptide (512-519), vFP7.04 heavy chain, vFP7.04 light chain
Authors:Xu, K, Liu, K, Kwong, P.D.
Deposit date:2018-02-08
Release date:2018-05-16
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.408 Å)
Cite:Epitope-based vaccine design yields fusion peptide-directed antibodies that neutralize diverse strains of HIV-1.
Nat. Med., 24, 2018
6AJ2
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BU of 6aj2 by Molmil
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
6AJ0
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BU of 6aj0 by Molmil
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:2025-07-02
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
6AJ9
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BU of 6aj9 by Molmil
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
6AJ3
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BU of 6aj3 by Molmil
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
6AJ7
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BU of 6aj7 by Molmil
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
5ZTM
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BU of 5ztm by Molmil
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
9BC9
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BU of 9bc9 by Molmil
Structure of KLHDC2 bound to SJ10278
Descriptor: COBALT HEXAMMINE(III), Kelch domain-containing protein 2, N-({2-[2-chloro-4-(methoxymethoxy)phenyl]-1,3-thiazol-4-yl}acetyl)glycine
Authors:Scott, D.C, Dharuman, S, Griffith, E, Chai, S.C, Ronnebaum, J, King, M.T, Tangallapally, R, Lee, C, Gee, C.T, Lee, H.W, Ochoada, J, Miller, D.J, Jayasinghe, T, Paulo, J.A, Elledge, S.J, Harper, J.W, Chen, T, Lee, R.E, Schulman, B.A.
Deposit date:2024-04-08
Release date:2024-11-06
Last modified:2025-03-05
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Principles of paralog-specific targeted protein degradation engaging the C-degron E3 KLHDC2.
Nat Commun, 15, 2024
9BCA
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BU of 9bca by Molmil
Structure of KLHDC2 bound to SJ46411
Descriptor: COBALT HEXAMMINE(III), Kelch domain-containing protein 2, N-{[2-(naphthalen-2-yl)-1,3-thiazol-4-yl]acetyl}glycine
Authors:Scott, D.C, Dharuman, S, Griffith, E, Chai, S.C, Ronnebaum, J, King, M.T, Tangallapally, R, Lee, C, Gee, C.T, Lee, H.W, Ochoada, J, Miller, D.J, Jayasinghe, T, Paulo, J.A, Elledge, S.J, Harper, J.W, Chen, T, Lee, R.E, Schulman, B.A.
Deposit date:2024-04-08
Release date:2024-11-06
Last modified:2025-03-05
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Principles of paralog-specific targeted protein degradation engaging the C-degron E3 KLHDC2.
Nat Commun, 15, 2024

238582

数据于2025-07-09公开中

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