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1Q1M
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BU of 1q1m by Molmil
A Highly Efficient Approach to a Selective and Cell Active PTP1B inhibitors
Descriptor: 5-{2-FLUORO-5-[3-(3-HYDROXY-2-METHOXYCARBONYL-PHENOXY)-PROPENYL]-PHENYL}-ISOXAZOLE-3-CARBOXYLIC ACID, Protein-tyrosine phosphatase, non-receptor type 1
Authors:Liu, G, Xin, Z, Pei, Z, Hajduk, P.J, Abad-Zapatero, C, Hutchins, C.W, Zhao, H, Lubben, T.H, Ballaron, S.J, Haasch, D.L, Kaszubska, W, Rondinone, C.M, Trevillyan, J.M, Jirousek, M.R.
Deposit date:2003-07-22
Release date:2003-09-16
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Fragment screening and assembly: a highly efficient approach to a selective and cell active protein tyrosine phosphatase 1B inhibitor.
J.Med.Chem., 46, 2003
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:2024-09-04
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
7VON
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BU of 7von by Molmil
Native alpha-2-macroglobulin monomer
Descriptor: Alpha-2-macroglobulin
Authors:Huang, X, Wang, Y.
Deposit date:2021-10-14
Release date:2022-11-16
Last modified:2022-12-07
Method:ELECTRON MICROSCOPY (5.2 Å)
Cite:Cryo-EM structures reveal the dynamic transformation of human alpha-2-macroglobulin working as a protease inhibitor.
Sci China Life Sci, 65, 2022
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
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
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
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
8HU4
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BU of 8hu4 by Molmil
Limosilactobacillus reuteri N1 GtfB
Descriptor: CITRIC ACID, DI(HYDROXYETHYL)ETHER, SODIUM ION, ...
Authors:Dong, J.J, Bai, Y.X.
Deposit date:2022-12-22
Release date:2023-12-27
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.76 Å)
Cite:Insights into the Structure-Function Relationship of GH70 GtfB alpha-Glucanotransferases from the Crystal Structure and Molecular Dynamic Simulation of a Newly Characterized Limosilactobacillus reuteri N1 GtfB Enzyme.
J.Agric.Food Chem., 72, 2024
8HWK
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BU of 8hwk by Molmil
Limosilactobacillus reuteri N1 GtfB-maltohexaose
Descriptor: CITRIC ACID, DI(HYDROXYETHYL)ETHER, SODIUM ION, ...
Authors:Dong, J.J, Bai, Y.X.
Deposit date:2022-12-30
Release date:2024-01-03
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Insights into the Structure-Function Relationship of GH70 GtfB alpha-Glucanotransferases from the Crystal Structure and Molecular Dynamic Simulation of a Newly Characterized Limosilactobacillus reuteri N1 GtfB Enzyme.
J.Agric.Food Chem., 72, 2024
8HW3
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BU of 8hw3 by Molmil
Limosilactobacillus reuteri N1 GtfB-acarbose
Descriptor: 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranose, GLYCEROL, SODIUM ION, ...
Authors:Dong, J.J, Bai, Y.X.
Deposit date:2022-12-28
Release date:2024-01-03
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.66 Å)
Cite:Insights into the Structure-Function Relationship of GH70 GtfB alpha-Glucanotransferases from the Crystal Structure and Molecular Dynamic Simulation of a Newly Characterized Limosilactobacillus reuteri N1 GtfB Enzyme.
J.Agric.Food Chem., 72, 2024
7VOO
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BU of 7voo by Molmil
Induced alpha-2-macroglobulin monomer
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-2-macroglobulin, ...
Authors:Huang, X, Wang, Y, Ping, Z.
Deposit date:2021-10-14
Release date:2022-10-19
Last modified:2022-12-07
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Cryo-EM structures reveal the dynamic transformation of human alpha-2-macroglobulin working as a protease inhibitor.
Sci China Life Sci, 65, 2022
7VBO
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BU of 7vbo by Molmil
Alginate binding domain CBM
Descriptor: Alginate lyase, CALCIUM ION, SULFATE ION
Authors:Ji, S.Q, She, Q.
Deposit date:2021-09-01
Release date:2022-09-07
Last modified:2023-04-12
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Identification and structural analysis of a carbohydrate-binding module specific to alginate, a representative of a new family, CBM96.
J.Biol.Chem., 299, 2023
7W07
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BU of 7w07 by Molmil
Itaconate inducible LysR-Type Transcriptional regulator (ITCR) in complex with itaconate, Space group C121.
Descriptor: 2-methylidenebutanedioic acid, SULFATE ION, Transcriptional regulator, ...
Authors:Sun, P.K, Wang, B, Li, X.J.
Deposit date:2021-11-17
Release date:2022-10-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:A genetically encoded fluorescent biosensor for detecting itaconate with subcellular resolution in living macrophages.
Nat Commun, 13, 2022
7W08
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BU of 7w08 by Molmil
Itaconate inducible LysR-Type Transcriptional regulator (ITCR) in APO form, Space group P1.
Descriptor: Transcriptional regulator, LysR family
Authors:Sun, P.K, Wang, B, Li, X.J.
Deposit date:2021-11-17
Release date:2022-10-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:A genetically encoded fluorescent biosensor for detecting itaconate with subcellular resolution in living macrophages.
Nat Commun, 13, 2022
7W06
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BU of 7w06 by Molmil
Itaconate inducible LysR-Type Transcriptional regulator (ITCR) in complex with itaconate (SeMet labeled), Space group C121.
Descriptor: 2-methylidenebutanedioic acid, CHLORIDE ION, SULFATE ION, ...
Authors:Sun, P.K, Wang, B, Wang, Z.X, Qi, S, Li, X.J.
Deposit date:2021-11-17
Release date:2022-10-26
Last modified:2022-11-16
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:A genetically encoded fluorescent biosensor for detecting itaconate with subcellular resolution in living macrophages.
Nat Commun, 13, 2022
7W3Y
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BU of 7w3y by Molmil
CryoEM structure of human Kv4.3
Descriptor: Isoform 2 of Potassium voltage-gated channel subfamily D member 3
Authors:Ma, D.M, Guo, J.T.
Deposit date:2021-11-26
Release date:2022-11-02
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural basis for the gating modulation of Kv4.3 by auxiliary subunits.
Cell Res., 32, 2022
7W6S
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BU of 7w6s by Molmil
CryoEM structure of human KChIP2-Kv4.3 complex
Descriptor: Isoform 2 of Potassium voltage-gated channel subfamily D member 3, Kv channel-interacting protein 2
Authors:Ma, D.M, Guo, J.T.
Deposit date:2021-12-02
Release date:2022-11-02
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Structural basis for the gating modulation of Kv4.3 by auxiliary subunits.
Cell Res., 32, 2022
7W6N
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BU of 7w6n by Molmil
CryoEM structure of human KChIP1-Kv4.3 complex
Descriptor: Isoform 2 of Potassium voltage-gated channel subfamily D member 3, Kv channel-interacting protein 1
Authors:Ma, D.M, Guo, J.T.
Deposit date:2021-12-02
Release date:2022-11-02
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structural basis for the gating modulation of Kv4.3 by auxiliary subunits.
Cell Res., 32, 2022
7W6T
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BU of 7w6t by Molmil
CryoEM structure of human KChIP1-Kv4.3-DPP6 complex
Descriptor: Dipeptidyl aminopeptidase-like protein 6, Isoform 2 of Potassium voltage-gated channel subfamily D member 3, Kv channel-interacting protein 1
Authors:Ma, D.M, Guo, J.T.
Deposit date:2021-12-02
Release date:2022-11-02
Method:ELECTRON MICROSCOPY (3.85 Å)
Cite:Structural basis for the gating modulation of Kv4.3 by auxiliary subunits.
Cell Res., 32, 2022
7YDW
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BU of 7ydw by Molmil
Crystal structure of the MPND-DNA complex
Descriptor: DNA (5'-D(P*AP*AP*AP*AP*AP*AP*AP*AP*AP*A)-3'), DNA (5'-D(P*TP*TP*TP*TP*TP*TP*TP*TP*TP*T)-3'), MPN domain-containing protein
Authors:Yang, M, Chen, Z.
Deposit date:2022-07-04
Release date:2023-02-15
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.47 Å)
Cite:Structures of MPND Reveal the Molecular Recognition of Nucleosomes.
Int J Mol Sci, 24, 2023
7YDT
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BU of 7ydt by Molmil
Crystal structure of mouse MPND
Descriptor: MPN domain containing protein
Authors:Yang, M, Chen, Z.
Deposit date:2022-07-04
Release date:2023-02-15
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.055 Å)
Cite:Structures of MPND Reveal the Molecular Recognition of Nucleosomes.
Int J Mol Sci, 24, 2023
7W0D
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BU of 7w0d by Molmil
Dicer2-LoqsPD-dsRNA complex at mid-translocation state
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Dicer-2, isoform A, ...
Authors:Su, S, Wang, J, Wang, H.W, Ma, J.
Deposit date:2021-11-18
Release date:2022-04-27
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (4.18 Å)
Cite:Structural insights into dsRNA processing by Drosophila Dicer-2-Loqs-PD.
Nature, 607, 2022
7W0B
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BU of 7w0b by Molmil
Dicer2-LoqsPD complex at apo status
Descriptor: Dicer-2, isoform A, Loquacious, ...
Authors:Su, S, Wang, J, Wang, H.W, Ma, J.
Deposit date:2021-11-18
Release date:2022-04-27
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (3.33 Å)
Cite:Structural insights into dsRNA processing by Drosophila Dicer-2-Loqs-PD.
Nature, 607, 2022

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