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7NXB
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BU of 7nxb by Molmil
Crystal structure of the receptor binding domain of SARS-CoV-2 P.1 variant Spike glycoprotein in complex with COVOX-222 and EY6A Fabs
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, COVOX-222 Fab heavy chain, COVOX-222 Fab light chain, ...
Authors:Zhou, D, Ren, J, Stuart, D.
Deposit date:2021-03-17
Release date:2021-04-07
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.67 Å)
Cite:Antibody evasion by the P.1 strain of SARS-CoV-2.
Cell, 184, 2021
7NX7
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BU of 7nx7 by Molmil
Crystal structure of the K417N mutant receptor binding domain of SARS-CoV-2 Spike glycoprotein in complex with COVOX-222 and EY6A Fabs
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, CITRIC ACID, ...
Authors:Zhou, D, Ren, J, Stuart, D.
Deposit date:2021-03-17
Release date:2021-04-07
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Antibody evasion by the P.1 strain of SARS-CoV-2.
Cell, 184, 2021
7NX8
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BU of 7nx8 by Molmil
Crystal structure of the K417T mutant receptor binding domain of SARS-CoV-2 Spike glycoprotein in complex with COVOX-222 and EY6A Fabs
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, CITRIC ACID, ...
Authors:Zhou, D, Ren, J, Stuart, D.
Deposit date:2021-03-17
Release date:2021-04-07
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Antibody evasion by the P.1 strain of SARS-CoV-2.
Cell, 184, 2021
7NXC
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BU of 7nxc by Molmil
Crystal structure of the receptor binding domain of SARS-CoV-2 P.1 variant Spike glycoprotein in complex with ACE2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, Spike protein S1
Authors:Zhou, D, Ren, J, Stuart, D.
Deposit date:2021-03-17
Release date:2021-04-07
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (3.14 Å)
Cite:Antibody evasion by the P.1 strain of SARS-CoV-2.
Cell, 184, 2021
7NX9
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BU of 7nx9 by Molmil
Crystal structure of the N501Y mutant receptor binding domain of SARS-CoV-2 Spike glycoprotein in complex with COVOX-222 and EY6A Fabs
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, COVOX-222 Fab heavy chain, ...
Authors:Zhou, D, Ren, J, Stuart, D.
Deposit date:2021-03-17
Release date:2021-04-07
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Antibody evasion by the P.1 strain of SARS-CoV-2.
Cell, 184, 2021
5IQL
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BU of 5iql by Molmil
Crystal structure of YEATS2 YEATS bound to H3K27cr peptide
Descriptor: Histone H3.1, YEATS domain-containing protein 2
Authors:Li, H, Zhao, D, Guan, H.
Deposit date:2016-03-11
Release date:2016-07-20
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:YEATS2 is a selective histone crotonylation reader.
Cell Res., 26, 2016
9LHJ
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BU of 9lhj by Molmil
UBE2N/UBE2V2 complexed with a covalent inhibitor
Descriptor: Ubiquitin-conjugating enzyme E2 N, Ubiquitin-conjugating enzyme E2 variant 2
Authors:Li, S, Wu, X, Zhou, L, Lu, X.
Deposit date:2025-01-12
Release date:2025-05-14
Last modified:2025-06-25
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Proteome-Wide Data Guides the Discovery of Lysine-Targeting Covalent Inhibitors Using DNA-Encoded Chemical Libraries.
Angew.Chem.Int.Ed.Engl., 64, 2025
9LG2
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BU of 9lg2 by Molmil
Phosphoglycerate mutase 1 complexed with a covalent inhibitor
Descriptor: CHLORIDE ION, Phosphoglycerate mutase 1
Authors:Li, S, Wu, X, Zhou, L, Lu, X.
Deposit date:2025-01-09
Release date:2025-05-14
Last modified:2025-06-25
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Proteome-Wide Data Guides the Discovery of Lysine-Targeting Covalent Inhibitors Using DNA-Encoded Chemical Libraries.
Angew.Chem.Int.Ed.Engl., 64, 2025
5D39
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BU of 5d39 by Molmil
Transcription factor-DNA complex
Descriptor: DNA (5'-D(P*AP*TP*GP*GP*AP*TP*TP*TP*CP*CP*TP*GP*GP*AP*AP*GP*AP*CP*AP*GP*A)-3'), DNA (5'-D(P*TP*CP*TP*GP*TP*CP*TP*TP*CP*CP*AP*GP*GP*AP*AP*AP*TP*CP*CP*AP*T)-3'), Signal transducer and activator of transcription 6
Authors:Li, J, Niu, F, Ouyang, S, Liu, Z.
Deposit date:2015-08-06
Release date:2016-08-10
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural basis for DNA recognition by STAT6
Proc.Natl.Acad.Sci.USA, 113, 2016
8HO2
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BU of 8ho2 by Molmil
crystal structure of Norcoclaurine synthase from Chinese lotus (Nelumbo nucicera)
Descriptor: S-norcoclaurine synthase
Authors:Liao, L.J, Zhao, Y.C.
Deposit date:2022-12-09
Release date:2023-12-06
Last modified:2024-12-18
Method:X-RAY DIFFRACTION (1.711 Å)
Cite:Discovery, Structure, and Mechanism of the (R, S)-Norcoclaurine Synthase for the Chiral Synthesis of Benzylisoquinoline Alkaloids
Acs Catalysis, 13, 2023
8B9F
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BU of 8b9f by Molmil
Structure of Echovirus 11 complexed with DAF (CD55) calculated from symmetry expansion
Descriptor: Complement decay-accelerating factor, Genome polyprotein, SPHINGOSINE
Authors:Stuart, D.I, Ren, J, Qin, L, Zhou, D.
Deposit date:2022-10-05
Release date:2022-12-07
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (3.93 Å)
Cite:Switching of Receptor Binding Poses between Closely Related Enteroviruses.
Viruses, 14, 2022
8B8R
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BU of 8b8r by Molmil
Complex of Echovirus 11 with its attaching receptor decay-accelerating factor (CD55)
Descriptor: DECAY ACCELERATING FACTOR (CD55), SPHINGOSINE, VP1, ...
Authors:Stuart, D.I, Ren, J, Zhou, D, Qin, L.
Deposit date:2022-10-04
Release date:2022-12-07
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Switching of Receptor Binding Poses between Closely Related Enteroviruses.
Viruses, 14, 2022
1EEO
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BU of 1eeo by Molmil
CRYSTAL STRUCTURE OF PROTEIN TYROSINE PHOSPHATASE 1B COMPLEXED WITH ACETYL-E-L-E-F-PTYR-M-D-Y-E-NH2
Descriptor: ACETYL-E-L-E-F-PTYR-M-D-Y-E-NH2 PEPTIDE, MAGNESIUM ION, PROTEIN TYROSINE PHOSPHATASE 1B
Authors:Sarmiento, M, Puius, Y.A, Vetter, S.W, Lawrence, D.S, Almo, S.C, Zhang, Z.Y.
Deposit date:2000-02-01
Release date:2001-02-01
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural basis of plasticity in protein tyrosine phosphatase 1B substrate recognition.
Biochemistry, 39, 2000
5B75
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BU of 5b75 by Molmil
Crystal structure of MOZ double PHD finger in complex with histone H3 butyrylation at K14
Descriptor: Histone H3, Histone acetyltransferase KAT6A, SULFATE ION, ...
Authors:Li, H, Xiong, X.
Deposit date:2016-06-05
Release date:2016-10-26
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.704 Å)
Cite:Selective recognition of histone crotonylation by double PHD fingers of MOZ and DPF2
Nat.Chem.Biol., 12, 2016
5B76
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BU of 5b76 by Molmil
Crystal structure of MOZ double PHD finger domain in complex with histone H3 crotonylation at K14
Descriptor: Histone H3, Histone acetyltransferase KAT6A, SULFATE ION, ...
Authors:Li, H, Xiong, X.
Deposit date:2016-06-05
Release date:2016-10-26
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.653 Å)
Cite:Selective recognition of histone crotonylation by double PHD fingers of MOZ and DPF2
Nat.Chem.Biol., 12, 2016
5B77
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BU of 5b77 by Molmil
Crystal structrue of MOZ double PHD finger in complex with histone H3 propionylation at K14
Descriptor: Histone H3, Histone acetyltransferase KAT6A, SULFATE ION, ...
Authors:Li, H, Xiong, X.
Deposit date:2016-06-05
Release date:2016-10-26
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.551 Å)
Cite:Selective recognition of histone crotonylation by double PHD fingers of MOZ and DPF2
Nat.Chem.Biol., 12, 2016
5WSH
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BU of 5wsh by Molmil
Structure of HLA-A2 P130
Descriptor: Beta-2-microglobulin, DI(HYDROXYETHYL)ETHER, GLY-VAL-TRP-ILE-ARG-THR-PRO-THR-ALA, ...
Authors:Zhang, Y, Wu, Y, Qi, J, Liu, J, Gao, G.F, Meng, S.
Deposit date:2016-12-07
Release date:2017-12-20
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2 Å)
Cite:CD8+T-Cell Response-Associated Evolution of Hepatitis B Virus Core Protein and Disease Progress.
J. Virol., 92, 2018
5B78
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BU of 5b78 by Molmil
Crystal structure of MOZ double PHD finger mutant-S210D/N235R in complex with histone H3 crotonylation at K14
Descriptor: Histone H3, Histone acetyltransferase KAT6A, ZINC ION
Authors:Li, H, Xiong, X.
Deposit date:2016-06-05
Release date:2016-10-26
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Selective recognition of histone crotonylation by double PHD fingers of MOZ and DPF2
Nat.Chem.Biol., 12, 2016
5B79
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BU of 5b79 by Molmil
Crystal structure of DPF2 double PHD finger
Descriptor: ZINC ION, Zinc finger protein ubi-d4
Authors:Li, H, Xiong, X.
Deposit date:2016-06-05
Release date:2016-10-26
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.601 Å)
Cite:Selective recognition of histone crotonylation by double PHD fingers of MOZ and DPF2
Nat.Chem.Biol., 12, 2016
4LN0
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BU of 4ln0 by Molmil
Crystal structure of the VGLL4-TEAD4 complex
Descriptor: DI(HYDROXYETHYL)ETHER, GLYCEROL, Transcription cofactor vestigial-like protein 4, ...
Authors:Wang, H, Shi, Z, Zhou, Z.
Deposit date:2013-07-11
Release date:2014-02-26
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.896 Å)
Cite:A Peptide Mimicking VGLL4 Function Acts as a YAP Antagonist Therapy against Gastric Cancer.
Cancer Cell, 25, 2014
7FB8
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BU of 7fb8 by Molmil
De Novo-Designed and Disulfide-Bridged Peptide Heterodimer - hd1
Descriptor: ASP-ASP-LYS-ASP-CYS-ASP-GLU-TYR-CYS-LYS-LYS-THR-LYS-GLU-NH2, GLU-LE1-THR-GLY-HIS-ILE-GLU-GLY-PRO-THR-LE1-THR-LE1-HIS-CYS-LYS-NH2
Authors:Yao, H, Yao, S, Zheng, Y, Moyer, A, Baker, D, Wu, C.
Deposit date:2021-07-08
Release date:2022-05-18
Last modified:2023-11-15
Method:SOLUTION NMR
Cite:De novo design and directed folding of disulfide-bridged peptide heterodimers.
Nat Commun, 13, 2022
7FBA
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BU of 7fba by Molmil
De Novo-Designed and Disulfide-Bridged Peptide Heterodimer - hd2
Descriptor: ALA-LE1-CYS-GLU-CYS-GLY-PRO-THR-ARG-GLU-CYS-LYS-NH2, GLU-CYS-ARG-GLU-TYR-GLY-PRO-LE1-LYS-LE1-LE1-ALA-NH2
Authors:Yao, H, Yao, S, Moyer, A, Zheng, Y, Baker, D, Wu, C.
Deposit date:2021-07-08
Release date:2022-05-18
Last modified:2023-11-15
Method:SOLUTION NMR
Cite:De novo design and directed folding of disulfide-bridged peptide heterodimers.
Nat Commun, 13, 2022
5I4V
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BU of 5i4v by Molmil
Discovery of novel, orally efficacious Liver X Receptor (LXR) beta agonists
Descriptor: Oxysterols receptor LXR-beta,Nuclear receptor coactivator 2, Retinoic acid receptor RXR-beta,Nuclear receptor coactivator 2, {2-[(2R)-4-[4-(hydroxymethyl)-3-(methylsulfonyl)phenyl]-2-(propan-2-yl)piperazin-1-yl]-4-(trifluoromethyl)pyrimidin-5-yl}methanol
Authors:Chen, G, McKeever, B.M.
Deposit date:2016-02-12
Release date:2016-06-29
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Discovery of a Novel, Orally Efficacious Liver X Receptor (LXR) beta Agonist.
J.Med.Chem., 59, 2016
5KYJ
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BU of 5kyj by Molmil
Brain penetrant liver X receptor (LXR) modulators based on a 2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole core
Descriptor: (6~{R})-5-(5-fluoranyl-2-methoxy-pyrimidin-4-yl)-2-(3-methylsulfonylphenyl)-6-propan-2-yl-4,6-dihydropyrrolo[3,4-c]pyrazole, Oxysterols receptor LXR-beta, Retinoic acid receptor RXR-beta
Authors:Chen, G, McKeever, B.M.
Deposit date:2016-07-21
Release date:2016-09-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Brain penetrant liver X receptor (LXR) modulators based on a 2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole core.
Bioorg.Med.Chem.Lett., 26, 2016
5KYA
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BU of 5kya by Molmil
Brain penetrant liver X receptor (LXR) modulators based on a 2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole core
Descriptor: Oxysterols receptor LXR-beta, Retinoic acid receptor RXR-beta, [2-[(6~{R})-2-(3-methylsulfonylphenyl)-6-propan-2-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-4-(trifluoromethyl)pyrimidin-5-yl]methanol
Authors:Chen, G, McKeever, B.M.
Deposit date:2016-07-21
Release date:2016-09-21
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.598 Å)
Cite:Brain penetrant liver X receptor (LXR) modulators based on a 2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole core.
Bioorg.Med.Chem.Lett., 26, 2016

238582

數據於2025-07-09公開中

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