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7BW1
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BU of 7bw1 by Molmil
Crystal structure of Steroid 5-alpha-reductase 2 in complex with Finasteride
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 3-oxo-5-alpha-steroid 4-dehydrogenase 2, SULFATE ION, ...
Authors:Xiao, Q, Zhang, C, Wei, Z.
Deposit date:2020-04-13
Release date:2020-08-05
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure of human steroid 5 alpha-reductase 2 with anti-androgen drug finasteride.
Res Sq, 2020
4Q7H
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BU of 4q7h by Molmil
Crystal structure of SAMHD1 catalytic core with GTP
Descriptor: Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, GUANOSINE-5'-TRIPHOSPHATE, ZINC ION
Authors:Xiaohong, Q, Yanhong, L, Jia, K, Xiaofang, Y.
Deposit date:2014-04-25
Release date:2015-05-27
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (2.587 Å)
Cite:Structural insight into activation mechanism of SAMHD1
To be Published
6O2E
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BU of 6o2e by Molmil
GCN4 with asparagine at position 18
Descriptor: General control protein GCN4
Authors:Draper, S.R.E, Xiao, Q, Smith, M, Price, J.L.
Deposit date:2019-02-22
Release date:2019-06-26
Last modified:2019-12-18
Method:X-RAY DIFFRACTION (1.896 Å)
Cite:Influence of PEGylation on the Strength of Protein Surface Salt Bridges.
Acs Chem.Biol., 14, 2019
6O2F
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BU of 6o2f by Molmil
GCN4 with NPEG4 at position 18
Descriptor: General control protein GCN4
Authors:Draper, S.R.E, Xiao, Q, Smith, M, Price, J.L.
Deposit date:2019-02-22
Release date:2019-06-26
Last modified:2019-12-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Influence of PEGylation on the Strength of Protein Surface Salt Bridges.
Acs Chem.Biol., 14, 2019
5BPP
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BU of 5bpp by Molmil
Structure of human Leukotriene A4 hydrolase in complex with inhibitor 4AZ
Descriptor: 2-(4-butoxyphenyl)-N-hydroxyacetamide, ACETATE ION, Leukotriene A-4 hydrolase, ...
Authors:Huang, J, Dong, N.N, Xiao, Q, Ou, P.Y, Wu, D, Lu, W.Q.
Deposit date:2015-05-28
Release date:2016-08-10
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Bufexamac ameliorates LPS-induced acute lung injury in mice by targeting LTA4H
Sci Rep, 6, 2016
1ECU
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BU of 1ecu by Molmil
SOLUTION STRUCTURE OF E2F BINDING DNA FRAGMENT GCGCGAAAC-T-GTTTCGCGC
Descriptor: DNA (5'-D(*GP*CP*GP*CP*GP*AP*AP*AP*CP*TP*GP*TP*TP*TP*CP*GP*CP*GP*C)-3')
Authors:Wu, J.H, Chang, C, Pei, J.M, Xiao, Q, Shi, Y.Y.
Deposit date:2000-01-26
Release date:2000-02-02
Last modified:2022-02-16
Method:SOLUTION NMR
Cite:Solution structure of E2F binding DNA fragment GCGCGAAAC-T-GTTTCGCGC studied by Molecular Dynamics Simulation and Two Dimensional NMR experiment
to be published, 2000
8H0L
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BU of 8h0l by Molmil
Sulfur binding domain of Hga complexed with phosphorothioated DNA
Descriptor: DNA (5'-D(*CP*GP*AP*GP*(PST)P*TP*CP*GP*GP*C)-3'), DNA (5'-D(*GP*CP*CP*GP*AP*AP*CP*TP*CP*G)-3'), MAGNESIUM ION, ...
Authors:Liu, G, He, X, Hu, W, Yang, B, Xiao, Q.
Deposit date:2022-09-29
Release date:2023-09-27
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Characterization of a promiscuous DNA sulfur binding domain and application in site-directed RNA base editing.
Nucleic Acids Res., 51, 2023
5J7E
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BU of 5j7e by Molmil
hEAG PAS domain
Descriptor: Potassium voltage-gated channel subfamily H member 1
Authors:Xue, T, Juan, S, Xiaohong, Q.
Deposit date:2016-04-06
Release date:2016-05-04
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structure of PAS domain from the hEAG Potassium Channel
To Be Published
6KKI
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BU of 6kki by Molmil
Crystal structure of Drug:Proton Antiporter-1 (DHA1) Family SotB, in the inward-occluded conformation
Descriptor: 1-methylethyl 1-thio-beta-D-galactopyranoside, Sugar efflux transporter, nonyl beta-D-glucopyranoside
Authors:Xiao, Q.J, Deng, D.
Deposit date:2019-07-25
Release date:2020-07-29
Last modified:2022-03-23
Method:X-RAY DIFFRACTION (3.064 Å)
Cite:Visualizing the nonlinear changes of a drug-proton antiporter from inward-open to occluded state.
Biochem.Biophys.Res.Commun., 534, 2021
6KKL
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BU of 6kkl by Molmil
Crystal structure of Drug:Proton Antiporter-1 (DHA1) Family SotB, in the inward conformation (H115N mutant)
Descriptor: Sugar efflux transporter, nonyl beta-D-glucopyranoside
Authors:Xiao, Q.J, Sun, B, Zuo, Y.X, Guo, L, He, J.H, Deng, D.
Deposit date:2019-07-26
Release date:2020-07-29
Last modified:2022-03-23
Method:X-RAY DIFFRACTION (2.654 Å)
Cite:Visualizing the nonlinear changes of a drug-proton antiporter from inward-open to occluded state.
Biochem.Biophys.Res.Commun., 534, 2021
6KKK
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BU of 6kkk by Molmil
Crystal structure of Drug:Proton Antiporter-1 (DHA1) Family SotB, in the inward open conformation (H115A mutant)
Descriptor: Sugar efflux transporter, nonyl beta-D-glucopyranoside
Authors:Xiao, Q.J, Deng, D.
Deposit date:2019-07-26
Release date:2020-07-29
Last modified:2022-03-23
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Visualizing the nonlinear changes of a drug-proton antiporter from inward-open to occluded state.
Biochem.Biophys.Res.Commun., 534, 2021
6KKJ
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BU of 6kkj by Molmil
Crystal structure of Drug:Proton Antiporter-1 (DHA1) Family SotB, in the inward open conformation
Descriptor: Sugar efflux transporter, nonyl beta-D-glucopyranoside
Authors:Xiao, Q.J, Deng, D.
Deposit date:2019-07-25
Release date:2020-07-29
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.385 Å)
Cite:Visualizing the nonlinear changes of a drug-proton antiporter from inward-open to occluded state.
Biochem.Biophys.Res.Commun., 534, 2021
7DAE
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BU of 7dae by Molmil
EPB in complex with tubulin
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 7,11-DIHYDROXY-8,8,10,12,16-PENTAMETHYL-3-[1-METHYL-2-(2-METHYL-THIAZOL-4-YL)VINYL]-4,17-DIOXABICYCLO[14.1.0]HEPTADECANE-5,9-DIONE, CALCIUM ION, ...
Authors:Wu, C, Wang, Y.
Deposit date:2020-10-16
Release date:2021-03-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.394 Å)
Cite:High-resolution X-ray structure of three microtubule-stabilizing agents in complex with tubulin provide a rationale for drug design.
Biochem.Biophys.Res.Commun., 534, 2021
7DAF
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BU of 7daf by Molmil
IXA in complex with tubulin
Descriptor: (1~{S},3~{S},7~{S},10~{R},11~{S},12~{S},16~{R})-8,8,10,12,16-pentamethyl-3-[(~{E})-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-7,11-bis(oxidanyl)-17-oxa-4-azabicyclo[14.1.0]heptadecane-5,9-dione, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Wu, C, Wang, Y.
Deposit date:2020-10-16
Release date:2021-03-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:High-resolution X-ray structure of three microtubule-stabilizing agents in complex with tubulin provide a rationale for drug design.
Biochem.Biophys.Res.Commun., 534, 2021
7DAD
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BU of 7dad by Molmil
EPD in complex with tubulin
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ...
Authors:Wang, Y, Wu, C.
Deposit date:2020-10-16
Release date:2021-03-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:High-resolution X-ray structure of three microtubule-stabilizing agents in complex with tubulin provide a rationale for drug design.
Biochem.Biophys.Res.Commun., 534, 2021
4IVO
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BU of 4ivo by Molmil
Structure of human protoporphyrinogen IX oxidase(R59Q)
Descriptor: 5-[2-CHLORO-4-(TRIFLUOROMETHYL)PHENOXY]-2-NITROBENZOIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
Authors:Xiaohong, Q, Baifan, W.
Deposit date:2013-01-23
Release date:2013-03-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.597 Å)
Cite:Quantitative structural insight into human variegate porphyria disease.
J.Biol.Chem., 288, 2013
4IVM
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BU of 4ivm by Molmil
Structure of human protoporphyrinogen IX oxidase(R59G)
Descriptor: 5-[2-CHLORO-4-(TRIFLUOROMETHYL)PHENOXY]-2-NITROBENZOIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
Authors:Xiaohong, Q, Baifan, W.
Deposit date:2013-01-23
Release date:2013-03-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.769 Å)
Cite:Quantitative structural insight into human variegate porphyria disease.
J.Biol.Chem., 288, 2013
6D27
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BU of 6d27 by Molmil
Crystal structure of the prostaglandin D2 receptor CRTH2 with CAY10471
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, OLEIC ACID, ...
Authors:Wang, L, Yao, D, Deepak, K, Liu, H, Gong, W, Fan, H, Wei, Z, Zhang, C.
Deposit date:2018-04-13
Release date:2018-10-03
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.738 Å)
Cite:Structures of the Human PGD2Receptor CRTH2 Reveal Novel Mechanisms for Ligand Recognition.
Mol. Cell, 72, 2018
6Z6Y
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BU of 6z6y by Molmil
Galectin-8 N-terminal domain in complex with a sulfatide mimicking a sphingolipid
Descriptor: ACETATE ION, Galectin-8, TRIETHYLENE GLYCOL, ...
Authors:Romero, A, Medrano, F.J.
Deposit date:2020-05-29
Release date:2020-12-30
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:Probing sulfatide-tissue lectin recognition with functionalized glycodendrimersomes.
Iscience, 24, 2021
5ZUG
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BU of 5zug by Molmil
Structure of the bacterial acetate channel SatP
Descriptor: Succinate-acetate/proton symporter SatP, nonyl beta-D-glucopyranoside
Authors:Sun, P.C, Li, J.L, Xiao, Q.J, Guan, Z.Y, Deng, D.
Deposit date:2018-05-07
Release date:2018-11-21
Last modified:2022-03-23
Method:X-RAY DIFFRACTION (2.802 Å)
Cite:Crystal structure of the bacterial acetate transporter SatP reveals that it forms a hexameric channel.
J. Biol. Chem., 293, 2018
6EG0
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BU of 6eg0 by Molmil
Crystal structure of Dpr4 Ig1-Ig2 in complex with DIP-Eta Ig1-Ig3
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Cosmanescu, F, Shapiro, L.
Deposit date:2018-08-17
Release date:2018-11-28
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Neuron-Subtype-Specific Expression, Interaction Affinities, and Specificity Determinants of DIP/Dpr Cell Recognition Proteins.
Neuron, 100, 2018
6EG1
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BU of 6eg1 by Molmil
Crystal structure of Dpr2 Ig1-Ig2 in complex with DIP-Theta Ig1-Ig3
Descriptor: (R,R)-2,3-BUTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Cosmanescu, F, Patel, S, Shapiro, L.
Deposit date:2018-08-17
Release date:2018-11-28
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Neuron-Subtype-Specific Expression, Interaction Affinities, and Specificity Determinants of DIP/Dpr Cell Recognition Proteins.
Neuron, 100, 2018
6EFY
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BU of 6efy by Molmil
Crystal Structure of DIP-Alpha Ig1-3
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Dpr-interacting protein alpha, isoform A, ...
Authors:Cosmanescu, F, Shapiro, L.
Deposit date:2018-08-17
Release date:2018-11-28
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Neuron-Subtype-Specific Expression, Interaction Affinities, and Specificity Determinants of DIP/Dpr Cell Recognition Proteins.
Neuron, 100, 2018
6EFZ
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BU of 6efz by Molmil
Crystal Structure of DIP-Theta Ig1-3
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Cosmanescu, F, Shapiro, L.
Deposit date:2018-08-17
Release date:2018-11-28
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.499 Å)
Cite:Neuron-Subtype-Specific Expression, Interaction Affinities, and Specificity Determinants of DIP/Dpr Cell Recognition Proteins.
Neuron, 100, 2018
8JMX
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BU of 8jmx by Molmil
The crystal structure of human aurka kinase domain in complex with AURKA-A2
Descriptor: 5-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-2-oxidanyl-benzaldehyde, Aurora kinase A
Authors:Zhu, C.J, Zhang, Z.M.
Deposit date:2023-06-05
Release date:2023-10-18
Method:X-RAY DIFFRACTION (2.95020175 Å)
Cite:Multitarget inhibitors/probes that target LRRK2 and AURORA A kinases noncovalently and covalently.
Chem.Commun.(Camb.), 59, 2023

 

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