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6JJF
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BU of 6jjf by Molmil
Crystal structure of a two-quartet DNA mixed-parallel/antiparallel G-quadruplex
分子名称: COBALT HEXAMMINE(III), DNA (5'-D(*GP*GP*CP*TP*CP*GP*GP*CP*GP*GP*CP*GP*GP*A)-3'), POTASSIUM ION, ...
著者Zhang, Y.S, EI Omari, K, Duman, R, Wagner, A, Parkinson, G.N, Wei, D.G.
登録日2019-02-25
公開日2020-02-26
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Native de novo structural determinations of non-canonical nucleic acid motifs by X-ray crystallography at long wavelengths.
Nucleic Acids Res., 48, 2020
7Y56
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BU of 7y56 by Molmil
Crystal structure of NS1 nuclease domain in P41212 space group
分子名称: GLYCEROL, NS1 protein
著者Zhang, X.Y, Gan, J.H.
登録日2022-06-16
公開日2023-07-05
実験手法X-RAY DIFFRACTION (1.752 Å)
主引用文献Structures and implications of the nuclease domain of human parvovirus B19 NS1 protein.
Comput Struct Biotechnol J, 20, 2022
7Y57
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Crystal structure of NS1 nuclease domain in P21 space group
分子名称: NS1 protein, PHOSPHATE ION
著者Zhang, X.Y, Gan, J.H.
登録日2022-06-16
公開日2023-07-05
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.183 Å)
主引用文献Structures and implications of the nuclease domain of human parvovirus B19 NS1 protein.
Comput Struct Biotechnol J, 20, 2022
6IKM
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BU of 6ikm by Molmil
Crystal structure of SpuE-Spermidine in complex with ScFv5
分子名称: Polyamine transport protein, SPERMIDINE, SULFATE ION, ...
著者Wu, D, Sun, X.
登録日2018-10-16
公開日2019-12-25
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (3.398 Å)
主引用文献A Potent Anti-SpuE Antibody Allosterically Inhibits Type III Secretion System and Attenuates Virulence of Pseudomonas Aeruginosa.
J.Mol.Biol., 431, 2019
8K6Q
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BU of 8k6q by Molmil
Crystal structure of HOIL-1L LTM domain
分子名称: RanBP-type and C3HC4-type zinc finger-containing protein 1
著者Yan, Z, Pan, L.F.
登録日2023-07-25
公開日2024-07-03
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Mechanistic insights into the homo-dimerization of HOIL-1L and SHARPIN.
Biochem.Biophys.Res.Commun., 689, 2023
8K6P
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BU of 8k6p by Molmil
Crystal structure of SHARPIN LTM motif
分子名称: Sharpin
著者Yan, Z, Pan, L.F.
登録日2023-07-25
公開日2024-07-03
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Mechanistic insights into the homo-dimerization of HOIL-1L and SHARPIN.
Biochem.Biophys.Res.Commun., 689, 2023
7XQV
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BU of 7xqv by Molmil
The complex of nanobody Rh57 binding to GTP-bound RhoA active form
分子名称: ALANINE, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
著者Zhang, Y.R, Liu, R, Ding, Y.
登録日2022-05-09
公開日2022-07-13
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.76 Å)
主引用文献Structural insights into the binding of nanobody Rh57 to active RhoA-GTP.
Biochem.Biophys.Res.Commun., 616, 2022
7WFY
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BU of 7wfy by Molmil
Crystal Structure of the VAV2 SH2 domain in complex with APP phosphorylated peptide
分子名称: Amyloid beta A4 protein-binding family B member 1 (protein), Guanine nucleotide exchange factor VAV2
著者Zhang, Y.J, Liu, Y.R, Wu, B.
登録日2021-12-27
公開日2022-12-07
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.449 Å)
主引用文献Vav2 is a novel APP-interacting protein that regulates APP protein level.
Sci Rep, 12, 2022
7YIR
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BU of 7yir by Molmil
Crystal structure of N-terminal PH domain of ARAP3 protein from human
分子名称: Arf-GAP with Rho-GAP domain, ANK repeat and PH domain-containing protein 3, DI(HYDROXYETHYL)ETHER
著者Zhang, Y.J, Liu, Y.R, Wu, B.
登録日2022-07-18
公開日2023-05-03
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.099 Å)
主引用文献Structural Insights Uncover the Specific Phosphoinositide Recognition by the PH1 Domain of Arap3.
Int J Mol Sci, 24, 2023
7YIS
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Crystal structure of N-terminal PH domain of ARAP3 protein in complex with inositol 1,3,4,5-tetrakisphosphate
分子名称: (2R)-3-{[(S)-{[(2S,3R,5S,6S)-2,6-DIHYDROXY-3,4,5-TRIS(PHOSPHONOOXY)CYCLOHEXYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-2-(1-HYDROXY BUTOXY)PROPYL BUTYRATE, Arf-GAP with Rho-GAP domain, ANK repeat and PH domain-containing protein 3
著者Zhang, Y.J, Liu, Y.R, Wu, B.
登録日2022-07-18
公開日2023-05-03
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Structural Insights Uncover the Specific Phosphoinositide Recognition by the PH1 Domain of Arap3.
Int J Mol Sci, 24, 2023
7WF6
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BU of 7wf6 by Molmil
Crystal structure of SNX13 RGS domain
分子名称: CHLORIDE ION, Sorting nexin-13
著者Xu, J, Zhu, J, Liu, J.
登録日2021-12-26
公開日2022-10-26
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.25 Å)
主引用文献Structural Studies Reveal Unique Non-canonical Regulators of G Protein Signaling Homology (RH) Domains in Sorting Nexins.
J.Mol.Biol., 434, 2022
7E16
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BU of 7e16 by Molmil
crystal structure of GDSL esterase from Geobacillus thermodenitrificans
分子名称: GDSL-family esterase
著者Chen, L.
登録日2021-01-31
公開日2021-04-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.62 Å)
主引用文献Rational engineering of substrate selectivity of GDSL esterase from Geobacillus thermodenitrificans
To Be Published
7FEW
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BU of 7few by Molmil
Pseudomonas aeruginosa Virulence Factor Regulator with cAMP ligand and auranofin gold analogues
分子名称: ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, SULFATE ION, cAMP-activated global transcriptional regulator Vfr
著者Chew, B.L.A, Luo, D.
登録日2021-07-22
公開日2022-07-27
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural basis for the inhibitory mechanism of auranofin and gold(I) analogues against Pseudomonas aeruginosa global virulence factor regulator Vfr.
Comput Struct Biotechnol J, 21, 2023
7FF0
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BU of 7ff0 by Molmil
Pseudomonas aeruginosa Virulence Factor Regulator with cAMP ligand and auranofin
分子名称: ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, GOLD ION, SULFATE ION, ...
著者Chew, B.L.A, Luo, D.
登録日2021-07-22
公開日2022-07-27
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural basis for the inhibitory mechanism of auranofin and gold(I) analogues against Pseudomonas aeruginosa global virulence factor regulator Vfr.
Comput Struct Biotechnol J, 21, 2023
4W6E
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BU of 4w6e by Molmil
Human Tankyrase 1 with small molecule inhibitor
分子名称: 2-(4-{6-[(3S)-3,4-dimethylpiperazin-1-yl]-4-methylpyridin-3-yl}phenyl)-8-(hydroxymethyl)quinazolin-4(3H)-one, Tankyrase-1, ZINC ION
著者Kazmirski, S.L, Johannes, J, Boriack-Sjodin, P.A, Howard, T.
登録日2014-08-20
公開日2015-05-13
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Pyrimidinone nicotinamide mimetics as selective tankyrase and wnt pathway inhibitors suitable for in vivo pharmacology.
Acs Med.Chem.Lett., 6, 2015
6RAV
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BU of 6rav by Molmil
Complement factor B protease domain in complex with the reversible inhibitor 4-((2S,4S)-4-ethoxy-1-((5-methoxy-7-methyl-1H-indol-4-yl)methyl)piperidin-2-yl)benzoic acid
分子名称: 4-[(2~{S},4~{S})-4-ethoxy-1-[(5-methoxy-7-methyl-1~{H}-indol-4-yl)methyl]piperidin-2-yl]benzoic acid, Complement factor B, SULFATE ION, ...
著者Adams, C.M, Sellner, H, Ehara, T, Mac Sweeney, A, Crowley, M, Anderson, K, Karki, R, Mainolfi, N, Valeur, E, Sirockin, F, Gerhartz, B, Erbel, P, Hughes, N, Smith, T.M, Cumin, F, Argikar, U, Mogi, M, Sedrani, R, Wiesmann, C, Jaffee, B, Maibaum, J, Flohr, S, Harrison, R, Eder, J.
登録日2019-04-08
公開日2019-04-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Small-molecule factor B inhibitor for the treatment of complement-mediated diseases.
Proc.Natl.Acad.Sci.USA, 116, 2019
8BNS
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BU of 8bns by Molmil
Crystal structure of Pif1 from Sulfurihydrogenibium sp in complex with ADP
分子名称: AAA ATPase, ADENOSINE-5'-DIPHOSPHATE
著者Rety, S, Chen, W.F, Xi, X.G.
登録日2022-11-14
公開日2023-03-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (3.24 Å)
主引用文献Structural Studies of Pif1 Helicases from Thermophilic Bacteria.
Microorganisms, 11, 2023
6QSX
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BU of 6qsx by Molmil
Complement factor B protease domain in complex with the reversible inhibitor ((2S,4S)-1-((5,7-dimethyl-1H-indol-4-yl)methyl)-4-methoxypiperidin-2-yl)methanol.
分子名称: Complement factor B, SULFATE ION, ZINC ION, ...
著者Adams, C.M, Sellner, H, Ehara, T, Mac Sweeney, A, Crowley, M, Anderson, K, Karki, R, Mainolfi, N, Valeur, E, Sirockin, F, Gerhartz, B, Erbel, P, Hughes, N, Smith, T.M, Cumin, F, Argikar, U, Mogi, M, Sedrani, R, Wiesmann, C, Jaffee, B, Maibaum, J, Flohr, S, Harrison, R, Eder, J.
登録日2019-02-22
公開日2019-03-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Small-molecule factor B inhibitor for the treatment of complement-mediated diseases.
Proc.Natl.Acad.Sci.USA, 116, 2019
5E9A
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BU of 5e9a by Molmil
Crystal structure analysis of the cold-adamped beta-galactosidase from Rahnella sp. R3
分子名称: ACETATE ION, Beta-galactosidase, ZINC ION
著者Zhang, Y.Z, Fan, Y.T.
登録日2015-10-14
公開日2016-10-26
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.561 Å)
主引用文献Cloning, expression and structural stability of a cold-adapted beta-galactosidase from Rahnella sp. R3.
Protein Expr.Purif., 115, 2015
6XF6
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BU of 6xf6 by Molmil
Cryo-EM structure of a biotinylated SARS-CoV-2 spike probe in the prefusion state (1 RBD up)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
著者Cerutti, G, Gorman, J, Kwong, P.D, Shapiro, L.
登録日2020-06-15
公開日2020-09-02
最終更新日2020-12-02
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Structure-Based Design with Tag-Based Purification and In-Process Biotinylation Enable Streamlined Development of SARS-CoV-2 Spike Molecular Probes.
SSRN, 2020
6XF5
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BU of 6xf5 by Molmil
Cryo-EM structure of a biotinylated SARS-CoV-2 spike probe in the prefusion state (RBDs down)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
著者Cerutti, G, Gorman, J, Kwong, P.D, Shapiro, L.
登録日2020-06-15
公開日2020-09-02
最終更新日2020-12-02
実験手法ELECTRON MICROSCOPY (3.45 Å)
主引用文献Structure-Based Design with Tag-Based Purification and In-Process Biotinylation Enable Streamlined Development of SARS-CoV-2 Spike Molecular Probes.
SSRN, 2020
6R8X
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BU of 6r8x by Molmil
COAGULATION FACTOR XI CATALYTIC DOMAIN IN COMPLEX WITH FAB-PORTION OF MAA868
分子名称: Coagulation factor XI, anti-Factor-XI Fab fragment heavy chain MAA868, anti-Factor-XI Fab fragment light chain MAA868
著者Schiering, N, Koch, A.
登録日2019-04-02
公開日2019-04-10
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献MAA868, a novel FXI antibody with a unique binding mode, shows durable effects on markers of anticoagulation in humans.
Blood, 133, 2019
4W5S
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BU of 4w5s by Molmil
Tankyrase in complex with compound
分子名称: 8-(hydroxymethyl)-2-[4-(1-methyl-1H-pyrazol-4-yl)phenyl]quinazolin-4(3H)-one, GLYCEROL, Tankyrase-1, ...
著者Johannes, J, Kazmirski, S.L, Boriack-Sjodin, P.A, Howard, T.
登録日2014-08-18
公開日2015-05-13
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Pyrimidinone nicotinamide mimetics as selective tankyrase and wnt pathway inhibitors suitable for in vivo pharmacology.
Acs Med.Chem.Lett., 6, 2015
8S9H
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BU of 8s9h by Molmil
Crystal structure of monkey TLR7 ectodomain with compound 14
分子名称: (3S)-3-{[5-amino-1-({3-methoxy-5-[1-(oxan-4-yl)piperidin-4-yl]pyridin-2-yl}methyl)-1H-pyrazolo[4,3-d]pyrimidin-7-yl]amino}hexan-1-ol, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Critton, D.A.
登録日2023-03-28
公開日2024-02-07
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.437 Å)
主引用文献Identification and Optimization of Small Molecule Pyrazolopyrimidine TLR7 Agonists for Applications in Immuno-oncology.
Acs Med.Chem.Lett., 15, 2024
5W5Q
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MAP4K4 in complex with inhibitor compound 12 (N3-methyl-10-(3-methyl-3-(5-methyloxazol-2-yl)but-1-yn-1-yl)-6,7-dihydro-5H-5,7-methanobenzo[c]imidazo[1,2-a]azepine-2,3-dicarboxamide)
分子名称: (5s,7s)-N~3~-methyl-10-[3-methyl-3-(5-methyl-1,3-oxazol-2-yl)but-1-yn-1-yl]-6,7-dihydro-5H-5,7-methanoimidazo[2,1-a][2]benzazepine-2,3-dicarboxamide, Mitogen-activated protein kinase kinase kinase kinase 4
著者Harris, S.F, Wu, P.
登録日2017-06-15
公開日2018-06-20
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献Structure Based Design of Potent Selective Inhibitors of Protein Kinase D1 (PKD1).
Acs Med.Chem.Lett., 10, 2019

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