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2LGK
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BU of 2lgk by Molmil
NMR Structure of UHRF1 PHD domains in a complex with histone H3 peptide
Descriptor: E3 ubiquitin-protein ligase UHRF1, ZINC ION, histone H3 peptide
Authors:Wang, C, Shen, J, Yang, Z, Chen, P, Zhao, B, Hu, W, Lan, W, Tong, X, Wu, H, Li, G, Cao, C.
Deposit date:2011-07-28
Release date:2011-09-28
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Structural basis for site-specific reading of unmodified R2 of histone H3 tail by UHRF1 PHD finger.
Cell Res., 21, 2011
2LGG
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BU of 2lgg by Molmil
Structure of PHD domain of UHRF1 in complex with H3 peptide
Descriptor: E3 ubiquitin-protein ligase UHRF1, ZINC ION, histone H3 peptide
Authors:Wang, C, Shen, J, Yang, Z, Chen, P, Zhao, B, Hu, W, Lan, W, Tong, X, Wu, H, Li, G, Cao, C.
Deposit date:2011-07-26
Release date:2011-09-28
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural basis for site-specific reading of unmodified R2 of histone H3 tail by UHRF1 PHD finger.
Cell Res., 21, 2011
2LGL
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BU of 2lgl by Molmil
NMR structure of the UHRF1 PHD domain
Descriptor: E3 ubiquitin-protein ligase UHRF1, ZINC ION
Authors:Wang, C, Shen, J, Yang, Z, Chen, P, Zhao, B, Hu, W, Lan, W, Tong, X, Wu, H, Li, G, Cao, C.
Deposit date:2011-07-28
Release date:2011-09-28
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural basis for site-specific reading of unmodified R2 of histone H3 tail by UHRF1 PHD finger.
Cell Res., 21, 2011
7DH7
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BU of 7dh7 by Molmil
Crystal structure of apo XcZur
Descriptor: PHOSPHATE ION, Transcriptional regulator fur family, ZINC ION
Authors:Liu, F.M, Su, Z.H, Chen, P, Tian, X.L, Wu, L.J, Tang, D.J, Li, P.F, Deng, H.T, Tang, J.L, Ming, Z.H.
Deposit date:2020-11-13
Release date:2021-06-09
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural basis for zinc-induced activation of a zinc uptake transcriptional regulator.
Nucleic Acids Res., 49, 2021
7DH8
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BU of 7dh8 by Molmil
Crystal structure of holo XcZur
Descriptor: Transcriptional regulator fur family, ZINC ION
Authors:Liu, F.M, Su, Z.H, Chen, P, Tian, X.L, Wu, L.J, Tang, D.J, Li, P.F, Deng, H.T, Tang, J.L, Ming, Z.H.
Deposit date:2020-11-13
Release date:2021-06-09
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural basis for zinc-induced activation of a zinc uptake transcriptional regulator.
Nucleic Acids Res., 49, 2021
4OU6
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BU of 4ou6 by Molmil
Crystal structure of DnaT84-153-dT10 ssDNA complex form 1
Descriptor: DNA (5'-D(P*TP*TP*TP*TP*TP*TP*TP*TP*TP*T)-3'), Primosomal protein 1
Authors:Liu, Z, Chen, P, Niu, L, Teng, M, Li, X.
Deposit date:2014-02-15
Release date:2014-08-13
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Crystal structure of DnaT84-153-dT10 ssDNA complex reveals a novel single-stranded DNA binding mode.
Nucleic Acids Res., 42, 2014
4OU7
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BU of 4ou7 by Molmil
Crystal structure of DnaT84-153-dT10 ssDNA complex reveals a novel single-stranded DNA binding mode
Descriptor: DNA (5'-D(P*TP*TP*TP*TP*TP*TP*TP*TP*TP*T)-3'), Primosomal protein 1
Authors:Liu, Z, Chen, P, Niu, L, Teng, M, Li, X.
Deposit date:2014-02-15
Release date:2014-08-13
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.83 Å)
Cite:Crystal structure of DnaT84-153-dT10 ssDNA complex reveals a novel single-stranded DNA binding mode.
Nucleic Acids Res., 42, 2014
7UIA
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BU of 7uia by Molmil
Crystal structure of BoNT/E receptor binding domain in complex with SV2 and VHH
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, ...
Authors:Liu, Z, Jin, R, Chen, P.
Deposit date:2022-03-28
Release date:2023-04-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Structural basis for botulinum neurotoxin E recognition of synaptic vesicle protein 2.
Nat Commun, 14, 2023
7UIB
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BU of 7uib by Molmil
Crystal structure of BoNT/E receptor binding domain in complex with SV2, VHH, and sialic acid
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, N-acetyl-beta-neuraminic acid, ...
Authors:Liu, Z, Jin, R, Chen, P.
Deposit date:2022-03-29
Release date:2023-04-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.77 Å)
Cite:Structural basis for botulinum neurotoxin E recognition of synaptic vesicle protein 2.
Nat Commun, 14, 2023
7DPN
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BU of 7dpn by Molmil
Crystal structure of BRD2(BD1)with ligand ZB-BD-224 bound
Descriptor: 5-(1-naphthoyl)-11-methyl-8-((methylsulfonyl)methyl)-4,5-dihydro-2,3a1,5-triazadibenzo[cd,h]azulen-1(2H)-one, Bromodomain-containing protein 2
Authors:Li, Z, Lu, T, Chen, P, Luo, C, Zhou, B.
Deposit date:2020-12-20
Release date:2021-12-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.79998839 Å)
Cite:Structure Base Design of A new chemotype of Four-Cycle Compounds as Bromodomain and Extra-Terminal (BET) Inhibitors with The Second Bromodomain Bias and Highly Anti-inflammatory Potency
To Be Published
7DPO
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BU of 7dpo by Molmil
Crystal Structure of BRD2(BD2)with Ligand ZB-BD-224 bound
Descriptor: 5-(1-naphthoyl)-11-methyl-8-((methylsulfonyl)methyl)-4,5-dihydro-2,3a1,5-triazadibenzo[cd,h]azulen-1(2H)-one, Bromodomain-containing protein 2
Authors:Li, Z, Lu, T, Chen, P, Luo, C, Zhou, B.
Deposit date:2020-12-21
Release date:2021-12-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.29994035 Å)
Cite:Structure Base Design of A new chemotype of Four-Cycle Compounds as Bromodomain and Extra-Terminal (BET) Inhibitors with The Second Bromodomain Bias and Highly Anti-inflammatory Potency
To Be Published
7COM
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BU of 7com by Molmil
Crystal structure of the SARS-CoV-2 main protease in complex with Boceprevir (space group P212121)
Descriptor: 3C-like proteinase, boceprevir (bound form)
Authors:Zeng, R, Qiao, J.X, Wang, Y.F, Li, Y.S, Yao, R, Liu, J.M, Zhou, Y.L, Chen, P, Yang, S.Y, Lei, J.
Deposit date:2020-08-04
Release date:2020-08-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:SARS-CoV-2 M pro inhibitors with antiviral activity in a transgenic mouse model.
Science, 371, 2021
7YTV
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BU of 7ytv by Molmil
Crystal structure of Aspergillus fumigatus Thioredoxin reductase in complex with auranofin
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Thioredoxin reductase
Authors:Lin, W.
Deposit date:2022-08-16
Release date:2023-06-28
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.866 Å)
Cite:In vitro antifungal and antibiofilm activities of auranofin against itraconazole-resistant Aspergillus fumigatus.
J Mycol Med, 33, 2023
8H7F
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BU of 8h7f by Molmil
The crystal structure of human abl1 kinase domain in complex with abl1-B-EBA
Descriptor: 1-[6-(6-methoxyisoquinolin-7-yl)-1,3-benzothiazol-2-yl]-3-(2-oxidanylideneethyl)urea, Tyrosine-protein kinase ABL1
Authors:Zhu, C.J, Zhang, Z.M.
Deposit date:2022-10-20
Release date:2023-03-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.45013428 Å)
Cite:2-Ethynylbenzaldehyde-Based, Lysine-Targeting Irreversible Covalent Inhibitors for Protein Kinases and Nonkinases.
J.Am.Chem.Soc., 2023
8H7B
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BU of 8h7b by Molmil
The crystal structure of human mcl1 kinase domain in complex with MCL1-M-EBA
Descriptor: 7-[3-(isoquinolin-7-yloxymethyl)-1,5-dimethyl-pyrazol-4-yl]-3-(3-naphthalen-1-yloxypropyl)-1H-indole-2-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1
Authors:Zhu, C.J, Zhang, Z.M.
Deposit date:2022-10-19
Release date:2023-02-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.46408451 Å)
Cite:2-Ethynylbenzaldehyde-Based, Lysine-Targeting Irreversible Covalent Inhibitors for Protein Kinases and Nonkinases.
J.Am.Chem.Soc., 2023
8H7H
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BU of 8h7h by Molmil
The crystal structure of human abl1 kinase domain in complex with abl1-A-EBA
Descriptor: 5-[3-(6-methoxyisoquinolin-7-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-methyl-N-prop-2-ynyl-pyridine-3-carboxamide, Tyrosine-protein kinase ABL1
Authors:Zhu, C.J, Zhang, Z.M.
Deposit date:2022-10-20
Release date:2023-03-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.27789712 Å)
Cite:2-Ethynylbenzaldehyde-Based, Lysine-Targeting Irreversible Covalent Inhibitors for Protein Kinases and Nonkinases.
J.Am.Chem.Soc., 2023
3JVS
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BU of 3jvs by Molmil
Characterization of the Chk1 allosteric inhibitor binding site
Descriptor: 2-[(4-tert-butyl-3-nitrophenyl)carbonyl]-N-naphthalen-1-ylhydrazinecarboxamide, Serine/threonine-protein kinase Chk1
Authors:Chen, P.
Deposit date:2009-09-17
Release date:2009-10-06
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Characterization of the CHK1 allosteric inhibitor binding site.
Biochemistry, 48, 2009
3JVR
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BU of 3jvr by Molmil
Characterization of the Chk1 allosteric inhibitor binding site
Descriptor: (1S)-1-(1H-benzimidazol-2-yl)ethyl (3,4-dichlorophenyl)carbamate, Serine/threonine-protein kinase Chk1
Authors:Chen, P.
Deposit date:2009-09-17
Release date:2009-10-06
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Characterization of the CHK1 allosteric inhibitor binding site.
Biochemistry, 48, 2009
7W7X
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BU of 7w7x by Molmil
The crystal structure of human abl1 kinase domain in complex with ABL1-A11
Descriptor: 5-[5-(dimethylcarbamoyl)pyridin-3-yl]-3-(5-fluorosulfonyloxy-2-methoxy-phenyl)-1H-pyrrolo[2,3-b]pyridine, Tyrosine-protein kinase ABL1
Authors:Zhu, C, Zhang, Z.M.
Deposit date:2021-12-06
Release date:2022-04-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.0000093 Å)
Cite:Cell-Active, Reversible, and Irreversible Covalent Inhibitors That Selectively Target the Catalytic Lysine of BCR-ABL Kinase.
Angew.Chem.Int.Ed.Engl., 61, 2022
7W7Y
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BU of 7w7y by Molmil
The crystal structure of human abl1 kinase domain in complex with ABL2-A5
Descriptor: 5-[3-(5-methanoyl-2-methoxy-4-oxidanyl-phenyl)-1~{H}-pyrrolo[2,3-b]pyridin-5-yl]-~{N},~{N}-dimethyl-pyridine-3-carboxamide, Tyrosine-protein kinase ABL1
Authors:Zhu, C, Zhang, Z.M.
Deposit date:2021-12-06
Release date:2022-04-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.20003033 Å)
Cite:Cell-Active, Reversible, and Irreversible Covalent Inhibitors That Selectively Target the Catalytic Lysine of BCR-ABL Kinase.
Angew.Chem.Int.Ed.Engl., 61, 2022
8IL3
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BU of 8il3 by Molmil
Cryo-EM structure of CD38 in complex with FTL004
Descriptor: ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1, Heavy chain, Light chain
Authors:Yang, J, Wang, Y, Zhang, G.
Deposit date:2023-03-01
Release date:2023-03-29
Method:ELECTRON MICROSCOPY (3.86 Å)
Cite:FTL004, an anti-CD38 mAb with negligible RBC binding and enhanced pro-apoptotic activity, is a novel candidate for treatments of multiple myeloma and non-Hodgkin lymphoma.
J Hematol Oncol, 15, 2022
7T4E
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BU of 7t4e by Molmil
Prepore structure of pore-forming toxin Epx1
Descriptor: Epx1
Authors:Xiong, X.Z, Yang, P, Dong, M, Abraham, J.
Deposit date:2021-12-09
Release date:2022-03-16
Last modified:2024-02-28
Method:ELECTRON MICROSCOPY (2.87 Å)
Cite:Emerging enterococcus pore-forming toxins with MHC/HLA-I as receptors.
Cell, 185, 2022
7T4D
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BU of 7t4d by Molmil
Pore structure of pore-forming toxin Epx4
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Epx4
Authors:Xiong, X.Z, Dong, M, Yang, P, Abraham, J.
Deposit date:2021-12-09
Release date:2022-03-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3 Å)
Cite:Emerging enterococcus pore-forming toxins with MHC/HLA-I as receptors.
Cell, 185, 2022
7U1Z
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BU of 7u1z by Molmil
Crystal structure of the DRBD and CROPs of TcdA
Descriptor: SULFATE ION, Toxin A
Authors:Baohua, C, Peng, C, Kay, P, Rongsheng, J.
Deposit date:2022-02-22
Release date:2022-03-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.18 Å)
Cite:Structure and conformational dynamics of Clostridioides difficile toxin A.
Life Sci Alliance, 5, 2022
4JGV
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BU of 4jgv by Molmil
Crystal Structure of Human Nur77 Ligand-binding Domain in Complex with THPN
Descriptor: 1-(3,4,5-trihydroxyphenyl)nonan-1-one, GLYCEROL, Nuclear receptor subfamily 4 group A member 1
Authors:Zhang, Q, Li, F, Li, A, Tian, X, Wan, W, Wan, Y, Chen, H, Xing, Y, Wu, Q, Lin, T.
Deposit date:2013-03-04
Release date:2013-12-18
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (3.01 Å)
Cite:Orphan nuclear receptor TR3 acts in autophagic cell death via mitochondrial signaling pathway.
Nat.Chem.Biol., 10, 2014

221051

数据于2024-06-12公开中

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