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9DE9
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BU of 9de9 by Molmil
Crystal Structure of HE-B11
Descriptor: HE-B11
Authors:Bera, A.K, Sims, J, Baker, D.
Deposit date:2024-08-28
Release date:2025-03-26
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:Massively parallel assessment of designed protein solution properties using mass spectrometry and peptide barcoding.
Biorxiv, 2025
9DEA
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BU of 9dea by Molmil
Crystal Structure of C3-threaded
Descriptor: C3_threaded
Authors:Bera, A.K, Sims, J, Baker, D.
Deposit date:2024-08-28
Release date:2025-03-26
Method:X-RAY DIFFRACTION (2.87 Å)
Cite:Massively parallel assessment of designed protein solution properties using mass spectrometry and peptide barcoding.
Biorxiv, 2025
9DEB
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BU of 9deb by Molmil
Crystal Structure of D3-threaded
Descriptor: D3-threaded
Authors:Bera, A.K, Sims, J, Kang, A, Baker, D.
Deposit date:2024-08-28
Release date:2025-03-26
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:Massively parallel assessment of designed protein solution properties using mass spectrometry and peptide barcoding.
Biorxiv, 2025
5ZVT
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BU of 5zvt by Molmil
Structure of RNA polymerase complex and genome within a dsRNA virus provides insights into the mechanisms of transcription and assembly
Descriptor: C-terminus of outer capsid protein VP5, Core protein VP6, MYRISTIC ACID, ...
Authors:Liu, H, Fang, Q, Cheng, L.
Deposit date:2018-05-12
Release date:2018-07-04
Last modified:2025-07-02
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structure of RNA polymerase complex and genome within a dsRNA virus provides insights into the mechanisms of transcription and assembly.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
4GEE
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BU of 4gee by Molmil
Pyrrolopyrimidine inhibitors of DNA gyrase B and topoisomerase IV, part I: structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity.
Descriptor: (1R,5S,6s)-3-[5-chloro-6-ethyl-2-(pyrimidin-5-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexan-6-amine, DNA gyrase subunit B, GLYCEROL
Authors:Bensen, D.C, Chen, Z, Tari, L.W.
Deposit date:2012-08-01
Release date:2013-02-13
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Pyrrolopyrimidine inhibitors of DNA gyrase B (GyrB) and topoisomerase IV (ParE). Part I: Structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity.
Bioorg.Med.Chem.Lett., 23, 2013
9EEC
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BU of 9eec by Molmil
X-ray crystallographic structure of a beta-hairpin peptide mimic derived from Abeta 16-36 ORN-LYS-LEU-VAL-H7V-PHE-ALA-GLU-ORN-ALA-ILE-ILE-GLY-LEU-MET-VAL
Descriptor: ORN-LYS-LEU-VAL-H7V-PHE-ALA-GLU-ORN-ALA-ILE-ILE-GLY-LEU-MET-VAL
Authors:Kreutzer, A.G, Zhu, J, Nowick, J.S.
Deposit date:2024-11-18
Release date:2025-04-09
Last modified:2025-04-30
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:A beta-hairpin peptide derived from A beta forms different oligomers in the crystal state and in aqueous solution.
Org.Biomol.Chem., 23, 2025
7BQY
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BU of 7bqy by Molmil
THE CRYSTAL STRUCTURE OF COVID-19 MAIN PROTEASE IN COMPLEX WITH AN INHIBITOR N3 at 1.7 angstrom
Descriptor: 3C-like proteinase, N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOXY)-4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE
Authors:Liu, X, Zhang, B, Jin, Z, Yang, H, Rao, Z.
Deposit date:2020-03-26
Release date:2020-04-22
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure of Mprofrom SARS-CoV-2 and discovery of its inhibitors.
Nature, 582, 2020
5ZKQ
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BU of 5zkq by Molmil
Crystal structure of the human platelet-activating factor receptor in complex with ABT-491
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-ethynyl-3-{3-fluoro-4-[(2-methyl-1H-imidazo[4,5-c]pyridin-1-yl)methyl]benzene-1-carbonyl}-N,N-dimethyl-1H-indole-1-carboxamide, Platelet-activating factor receptor,Endolysin,Endolysin,Platelet-activating factor receptor, ...
Authors:Cao, C, Zhao, Q, Zhang, X.C, Wu, B.
Deposit date:2018-03-25
Release date:2018-06-20
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural basis for signal recognition and transduction by platelet-activating-factor receptor.
Nat. Struct. Mol. Biol., 25, 2018
3MB5
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BU of 3mb5 by Molmil
Crystal structure of P. abyssi tRNA m1A58 methyltransferase in complex with S-adenosyl-L-methionine
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, S-ADENOSYLMETHIONINE, ...
Authors:Guelorget, A, Golinelli-Pimpaneau, B.
Deposit date:2010-03-25
Release date:2010-05-12
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Insights into the hyperthermostability and unusual region-specificity of archaeal Pyrococcus abyssi tRNA m1A57/58 methyltransferase.
Nucleic Acids Res., 38, 2010
3LHD
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BU of 3lhd by Molmil
Crystal structure of P. abyssi tRNA m1A58 methyltransferase in complex with S-adenosyl-L-homocysteine
Descriptor: S-ADENOSYL-L-HOMOCYSTEINE, SAM-dependent methyltransferase, putative
Authors:Guelorget, A, Golinelli-Pimpaneau, B, Wouters, J, Barbey, C.
Deposit date:2010-01-22
Release date:2010-05-19
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Insights into the hyperthermostability and unusual region-specificity of archaeal Pyrococcus abyssi tRNA m1A57/58 methyltransferase.
Nucleic Acids Res., 38, 2010
8GZ4
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BU of 8gz4 by Molmil
Crystal structure of MPXV phosphatase
Descriptor: Dual specificity protein phosphatase H1, PHOSPHATE ION
Authors:Yang, H.T, Wang, W, Huang, H.J, Ji, X.Y.
Deposit date:2022-09-25
Release date:2023-05-17
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.802 Å)
Cite:Crystal structure of monkeypox H1 phosphatase, an antiviral drug target.
Protein Cell, 14, 2023
3N6N
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BU of 3n6n by Molmil
crystal structure of EV71 RdRp in complex with Br-UTP
Descriptor: 5-bromouridine 5'-(tetrahydrogen triphosphate), NICKEL (II) ION, RNA-dependent RNA polymerase
Authors:Wu, Y, Lou, Z.Y, Miao, Y, Yu, Y, Rao, Z.H.
Deposit date:2010-05-26
Release date:2011-06-15
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structures of EV71 RNA-dependent RNA polymerase in complex with substrate and analogue provide a drug target against the hand-foot-and-mouth disease pandemic in China.
Protein Cell, 1, 2010
5ZBZ
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BU of 5zbz by Molmil
Crystal structure of the DEAD domain of Human eIF4A with sanguinarine
Descriptor: 13-methyl[1,3]benzodioxolo[5,6-c][1,3]dioxolo[4,5-i]phenanthridin-13-ium, Eukaryotic initiation factor 4A-I, MALONATE ION
Authors:Ding, Y, Ding, L.
Deposit date:2018-02-14
Release date:2019-02-20
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.30860257 Å)
Cite:Targeting the N Terminus of eIF4AI for Inhibition of Its Catalytic Recycling.
Cell Chem Biol, 26, 2019
8IS5
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BU of 8is5 by Molmil
Structure of an Isocytosine specific deaminase Vcz with close state
Descriptor: Hydroxydechloroatrazine ethylaminohydrolase, SULFATE ION, ZINC ION
Authors:Guo, W.T, Li, X.J, Wu, B.X.
Deposit date:2023-03-20
Release date:2023-08-30
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural characterization of an isocytosine-specific deaminase VCZ reveals its application potential in the anti-cancer therapy.
Iscience, 26, 2023
5ZKP
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BU of 5zkp by Molmil
Crystal structure of the human platelet-activating factor receptor in complex with SR 27417
Descriptor: FLAVIN MONONUCLEOTIDE, N1,N1-dimethyl-N2-[(pyridin-3-yl)methyl]-N2-{4-[2,4,6-tri(propan-2-yl)phenyl]-1,3-thiazol-2-yl}ethane-1,2-diamine, Platelet-activating factor receptor,Flavodoxin,Platelet-activating factor receptor
Authors:Cao, C, Zhao, Q, Zhang, X.C, Wu, B.
Deposit date:2018-03-25
Release date:2018-06-20
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:Structural basis for signal recognition and transduction by platelet-activating-factor receptor.
Nat. Struct. Mol. Biol., 25, 2018
8HCM
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BU of 8hcm by Molmil
zebrafish IRF-11 DBD complex with DNA
Descriptor: DNA (5'-D(P*GP*CP*TP*TP*TP*CP*AP*CP*TP*TP*TP*CP*TP*A)-3'), DNA (5'-D(P*TP*AP*GP*AP*AP*AP*GP*TP*GP*AP*AP*AP*GP*C)-3'), Interferon regulatory factor
Authors:Wang, Z.X, Zhang, Y.A, Ouyang, S.Y.
Deposit date:2022-11-02
Release date:2024-05-15
Last modified:2024-09-04
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Crystal Structures of DNA-bound Fish IRF10 and IRF11 Reveal the Determinants of IFN Regulation.
J Immunol., 213, 2024
8HCL
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BU of 8hcl by Molmil
zebrafish IRF-10 DBD complex with DNA
Descriptor: DNA (5'-D(P*AP*CP*TP*TP*TP*CP*AP*CP*TP*TP*CP*A)-3'), DNA (5'-D(P*TP*GP*AP*AP*GP*TP*GP*AP*AP*AP*GP*T)-3'), Interferon regulatory factor 10
Authors:Wang, Z.X, Zhang, Y.A, Ouyang, S.Y.
Deposit date:2022-11-01
Release date:2024-05-15
Last modified:2024-09-04
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Crystal Structures of DNA-bound Fish IRF10 and IRF11 Reveal the Determinants of IFN Regulation.
J Immunol., 213, 2024
8HCS
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BU of 8hcs by Molmil
zebrafish IRF-11 DBD
Descriptor: Interferon regulatory factor
Authors:Wang, Z.X, Zhang, Y.A, Ouyang, S.Y.
Deposit date:2022-11-03
Release date:2024-05-15
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Crystal Structures of DNA-bound Fish IRF10 and IRF11 Reveal the Determinants of IFN Regulation.
J Immunol., 213, 2024
4EYC
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BU of 4eyc by Molmil
Crystal structure of the cathelin-like domain of human cathelicidin LL-37 (hCLD)
Descriptor: Cathelicidin antimicrobial peptide
Authors:Pazgier, M, Pozharski, E, Toth, E, Lu, W.
Deposit date:2012-05-01
Release date:2013-02-27
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural and Functional Analysis of the Pro-Domain of Human Cathelicidin, LL-37.
Biochemistry, 52, 2013
8HNW
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BU of 8hnw by Molmil
Crystal structure of HpaCas9-sgRNA surveillance complex bound to double-stranded DNA
Descriptor: CRISPR-associated endonuclease Cas9, Non-target strand, Target strand, ...
Authors:Sun, W, Cheng, Z, Wang, Y.
Deposit date:2022-12-08
Release date:2023-07-19
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (3.41 Å)
Cite:AcrIIC4 inhibits type II-C Cas9 by preventing R-loop formation.
Proc.Natl.Acad.Sci.USA, 120, 2023
8HNS
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BU of 8hns by Molmil
Crystal structure of an anti-CRISPR protein AcrIIC4 in apo form
Descriptor: GLYCEROL, anti-CRISPR protein AcrIIC4
Authors:Sun, W, Cheng, Z, Yang, J, Wang, Y.
Deposit date:2022-12-08
Release date:2023-07-19
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:AcrIIC4 inhibits type II-C Cas9 by preventing R-loop formation.
Proc.Natl.Acad.Sci.USA, 120, 2023
8HNT
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BU of 8hnt by Molmil
Crystal structure of anti-CRISPR protein AcrIIC4 bound to HpaCas9-sgRNA surveillance complex
Descriptor: CRISPR-associated endonuclease Cas9, anti-CRISPR protein AcrIIC4, sgRNA
Authors:Sun, W, Cheng, Z, Wang, Y.
Deposit date:2022-12-08
Release date:2023-07-19
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (3.06 Å)
Cite:AcrIIC4 inhibits type II-C Cas9 by preventing R-loop formation.
Proc.Natl.Acad.Sci.USA, 120, 2023
7UBF
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BU of 7ubf by Molmil
Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.21 in 50% d6-DMSO and 50% water with cis/trans switching (CC conformation, 50%)
Descriptor: Cyclic peptide D8.21 DVA-MLE-DPR-LEU-DVA-MLE-DPR-LEU
Authors:Ramelot, T.A, Tejero, R, Montelione, G.T.
Deposit date:2022-03-14
Release date:2022-09-14
Last modified:2024-10-30
Method:SOLUTION NMR
Cite:Accurate de novo design of membrane-traversing macrocycles.
Cell, 185, 2022
7UBD
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BU of 7ubd by Molmil
Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (A-CC conformation)
Descriptor: Cyclic peptide D8.31 DAL-DPR-MLU-DVA-DAL-DPR-MLU-DVA
Authors:Ramelot, T.A, Tejero, R, Montelione, G.T.
Deposit date:2022-03-14
Release date:2022-09-14
Last modified:2022-09-28
Method:SOLUTION NMR
Cite:Accurate de novo design of membrane-traversing macrocycles.
Cell, 185, 2022
7UBI
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BU of 7ubi by Molmil
Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.21 in CDCl3 with cis/trans switching (TT conformation, 47%)
Descriptor: Cyclic peptide D8.21 DVA-MLE-DPR-LEU-DVA-MLE-DPR-LEU
Authors:Ramelot, T.A, Tejero, R, Montelione, G.T.
Deposit date:2022-03-14
Release date:2022-09-14
Last modified:2024-11-13
Method:SOLUTION NMR
Cite:Accurate de novo design of membrane-traversing macrocycles.
Cell, 185, 2022

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数据于2025-07-09公开中

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