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7C8L
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Hybrid designing of potent inhibitors of Striga strigolactone receptor ShHTL7
分子名称: 2-(2-{2-[2-(2-{2-[2-(2-{2-[4-(1,1,3,3-TETRAMETHYL-BUTYL)-PHENOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOX Y}-ETHOXY)-ETHANOL, GLYCEROL, Hyposensitive to light 7, ...
著者Shahul Hameed, U.F, Arold, S.T.
登録日2020-06-02
公開日2021-06-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Rational design of Striga hermonthica-specific seed germination inhibitors.
Plant Physiol., 188, 2022
1H2Y
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PROLYL OLIGOPEPTIDASE FROM PORCINE BRAIN, Y473F MUTANT WITH COVALENTLY BOUND INHIBITOR Z-PRO-PROLINAL
分子名称: GLYCEROL, N-BENZYLOXYCARBONYL-L-PROLYL-L-PROLINAL, PROLYL ENDOPEPTIDASE
著者Rea, D, Fulop, V.
登録日2002-08-20
公開日2002-11-11
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Electrostatic Effects and Binding Determinants in the Catalysis of Prolyl Oligopeptidase: Site Specific Mutagenesis at the Oxyanion Binding Site
J.Biol.Chem., 277, 2002
6XRC
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BU of 6xrc by Molmil
Apo NIS synthetase DesD variant R306Q
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Desferrioxamine E biosynthesis protein DesD, GLYCEROL, ...
著者Hoffmann, K.M.
登録日2020-07-11
公開日2020-10-28
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Cofactor Complexes of DesD, a Model Enzyme in the Virulence-related NIS Synthetase Family.
Biochemistry, 59, 2020
1H2X
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PROLYL OLIGOPEPTIDASE FROM PORCINE BRAIN, Y473F MUTANT
分子名称: GLYCEROL, PROLYL ENDOPEPTIDASE
著者Fulop, V.
登録日2002-08-20
公開日2002-11-11
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Electrostatic Effects and Binding Determinants in the Catalysis of Prolyl Oligopeptidase: Site Specific Mutagenesis at the Oxyanion Binding Site
J.Biol.Chem., 277, 2002
7CPU
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BU of 7cpu by Molmil
Cryo-EM structure of 80S ribosome from mouse kidney
分子名称: 40S ribosomal protein S10, 40S ribosomal protein S11, 40S ribosomal protein S13, ...
著者Huo, Y.G, He, X, Jiang, T, Qin, Y, Guo, X.J, Sha, J.H.
登録日2020-08-08
公開日2022-02-02
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (2.82 Å)
主引用文献A male germ-cell-specific ribosome controls male fertility.
Nature, 612, 2022
7CSS
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BU of 7css by Molmil
Solution structure of the topological isomer of Heat-stable enterotoxin produced by Enterotoxigenic Escherichia coli
分子名称: CYS-CYS-GLU-LEU-CYS-CYS-ASN-PRO-ALA-CYS-THR-GLY-CYS
著者Shimamoto, S, Hidaka, Y.
登録日2020-08-17
公開日2020-12-16
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Topological Regulation of the Bioactive Conformation of a Disulfide-Rich Peptide, Heat-Stable Enterotoxin.
Molecules, 25, 2020
7D37
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BU of 7d37 by Molmil
Solution structure of Acm2-precursor peptide of Heat-stable enterotoxin produced by Enterotoxigenic Escherichia coli
分子名称: CYS-CY1-GLU-LEU-CYS-CYS-ASN-PRO-ALA-CY1-THR-GLY-CYS
著者Shimamoto, S, Hidaka, Y.
登録日2020-09-18
公開日2020-12-16
実験手法SOLUTION NMR
主引用文献Topological Regulation of the Bioactive Conformation of a Disulfide-Rich Peptide, Heat-Stable Enterotoxin.
Molecules, 25, 2020
4FYP
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BU of 4fyp by Molmil
Crystal Structure of Plant Vegetative Storage Protein
分子名称: MAGNESIUM ION, Vegetative storage protein 1
著者Chen, Y, Wei, J, Wang, M, Gong, W, Zhang, M.
登録日2012-07-05
公開日2013-06-26
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The crystal structure of Arabidopsis VSP1 reveals the plant class C-like phosphatase structure of the DDDD superfamily of phosphohydrolases
Plos One, 7, 2012
8C58
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CpG specific M.MpeI methyltransferase crystallized in the presence of 5-hydroxycytosine and 5-methylcytosine containing dsDNA
分子名称: CARBONATE ION, Cytosine-specific methyltransferase, DNA (5'-D(*CP*CP*AP*CP*AP*TP*GP*(5OC)P*GP*CP*TP*GP*AP*A)-3'), ...
著者Wojciechowski, M, Czapinska, H, Krwawicz, J, Rafalski, D, Bochtler, M.
登録日2023-01-06
公開日2024-01-17
最終更新日2024-07-17
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Cytosine analogues as DNA methyltransferase substrates.
Nucleic Acids Res., 2024
8C59
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CpG specific M.MpeI methyltransferase crystallized in the presence of 5-bromocytosine (converted to 5mC) and 5-methylcytosine containing dsDNA
分子名称: CARBONATE ION, CITRIC ACID, Cytosine-specific methyltransferase, ...
著者Wojciechowski, M, Czapinska, H, Krwawicz, J, Rafalski, D, Bochtler, M.
登録日2023-01-06
公開日2024-01-17
最終更新日2024-07-17
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Cytosine analogues as DNA methyltransferase substrates.
Nucleic Acids Res., 2024
8C57
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BU of 8c57 by Molmil
CpG specific M.MpeI methyltransferase crystallized in the presence of 5,6-dihydro-5-azacytosine (converted to 5m-dhaC) and 5-methylcytosine containing dsDNA
分子名称: CARBONATE ION, Cytosine-specific methyltransferase, DNA (5'-D(*CP*CP*AP*CP*AP*TP*GP*(5MA)P*GP*CP*TP*GP*AP*A)-3'), ...
著者Wojciechowski, M, Czapinska, H, Krwawicz, J, Rafalski, D, Bochtler, M.
登録日2023-01-06
公開日2024-01-17
最終更新日2024-07-17
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Cytosine analogues as DNA methyltransferase substrates.
Nucleic Acids Res., 2024
8C56
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BU of 8c56 by Molmil
CpG specific M.MpeI methyltransferase crystallized in the presence of 2'-deoxy-5-methylzebularine (5mZ) and 5-methylcytosine containing dsDNA
分子名称: Cytosine-specific methyltransferase, DNA (5'-D(*CP*CP*AP*CP*AP*TP*GP*(5PY)P*GP*CP*TP*GP*AP*A)-3'), DNA (5'-D(*GP*TP*TP*CP*AP*GP*(5CM)P*GP*CP*AP*TP*GP*TP*G)-3'), ...
著者Wojciechowski, M, Czapinska, H, Krwawicz, J, Rafalski, D, Bochtler, M.
登録日2023-01-06
公開日2024-01-17
最終更新日2024-07-17
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Cytosine analogues as DNA methyltransferase substrates.
Nucleic Acids Res., 2024
7PK9
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BU of 7pk9 by Molmil
C-reactive protein decamer at pH 7.5
分子名称: C-reactive protein, CALCIUM ION
著者Noone, D.P, Sharp, T.H.
登録日2021-08-25
公開日2021-12-22
最終更新日2022-01-12
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Cryo-Electron Microscopy and Biochemical Analysis Offer Insights Into the Effects of Acidic pH, Such as Occur During Acidosis, on the Complement Binding Properties of C-Reactive Protein.
Front Immunol, 12, 2021
7PKB
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BU of 7pkb by Molmil
C-reactive protein pentamer at pH 7.5
分子名称: C-reactive protein, CALCIUM ION
著者Noone, D.P, Sharp, T.H.
登録日2021-08-25
公開日2021-12-22
最終更新日2022-01-12
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Cryo-Electron Microscopy and Biochemical Analysis Offer Insights Into the Effects of Acidic pH, Such as Occur During Acidosis, on the Complement Binding Properties of C-Reactive Protein.
Front Immunol, 12, 2021
7PKF
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BU of 7pkf by Molmil
C-reactive protein decamer at pH 5
分子名称: C-reactive protein, CALCIUM ION
著者Noone, D.P, Sharp, T.H.
登録日2021-08-25
公開日2021-12-22
最終更新日2022-01-12
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Cryo-Electron Microscopy and Biochemical Analysis Offer Insights Into the Effects of Acidic pH, Such as Occur During Acidosis, on the Complement Binding Properties of C-Reactive Protein.
Front Immunol, 12, 2021
8A2K
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human STING in complex with 2'-3'-cyclic-GMP-7-deaza(4-[(2-naphthyloxy)methyl]phenyl)-AMP
分子名称: 2-azanyl-9-[(1~{R},6~{R},8~{R},9~{R},10~{S},15~{R},17~{R},18~{R})-8-[4-azanyl-5-[4-(naphthalen-1-yloxymethyl)phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]-3,9,12,18-tetrakis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{6,10}]octadecan-17-yl]-3~{H}-purin-6-one, Stimulator of interferon genes protein
著者Vavrina, Z, Brynda, J, Rezacova, P.
登録日2022-06-03
公開日2022-10-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Design, Synthesis, and Biochemical and Biological Evaluation of Novel 7-Deazapurine Cyclic Dinucleotide Analogues as STING Receptor Agonists.
J.Med.Chem., 65, 2022
7PKE
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BU of 7pke by Molmil
C-reactive protein pentamer at pH 7.5 with phosphocholine ligand
分子名称: C-reactive protein, CALCIUM ION, PHOSPHOCHOLINE
著者Noone, D.P, Sharp, T.H.
登録日2021-08-25
公開日2021-12-22
最終更新日2022-01-12
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Cryo-Electron Microscopy and Biochemical Analysis Offer Insights Into the Effects of Acidic pH, Such as Occur During Acidosis, on the Complement Binding Properties of C-Reactive Protein.
Front Immunol, 12, 2021
8A2H
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BU of 8a2h by Molmil
human STING in complex with 2',3'-cyclic-GMP-7-deazaphenyl-AMP
分子名称: 2-azanyl-9-[(1~{R},6~{R},8~{R},9~{R},10~{S},15~{R},17~{R},18~{R})-8-(4-azanyl-5-phenyl-pyrrolo[2,3-d]pyrimidin-7-yl)-3,9,12,18-tetrakis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{6,10}]octadecan-17-yl]-1~{H}-purin-6-one, Stimulator of interferon genes protein
著者Smola, M, Vavrina, Z, Boura, E, Brynda, J.
登録日2022-06-03
公開日2022-10-12
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.69 Å)
主引用文献Design, Synthesis, and Biochemical and Biological Evaluation of Novel 7-Deazapurine Cyclic Dinucleotide Analogues as STING Receptor Agonists.
J.Med.Chem., 65, 2022
8A2J
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BU of 8a2j by Molmil
human STING in complex with 2'-3'-cyclic-GMP-7-deaza(4-biphenylyl)-AMP
分子名称: 2-azanyl-9-[(1~{R},6~{R},8~{R},9~{R},10~{S},15~{R},17~{R},18~{R})-8-[4-azanyl-5-(4-phenylphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]-3,9,12,18-tetrakis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{6,10}]octadecan-17-yl]-1~{H}-purin-6-one, Stimulator of interferon genes protein
著者Vavrina, Z, Brynda, J, Rezacova, P.
登録日2022-06-03
公開日2022-10-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献Design, Synthesis, and Biochemical and Biological Evaluation of Novel 7-Deazapurine Cyclic Dinucleotide Analogues as STING Receptor Agonists.
J.Med.Chem., 65, 2022
7PKD
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BU of 7pkd by Molmil
C-reactive protein decamer at pH 7.5 with phosphocholine ligand
分子名称: C-reactive protein, CALCIUM ION, PHOSPHOCHOLINE
著者Noone, D.P, Sharp, T.H.
登録日2021-08-25
公開日2021-12-22
最終更新日2022-01-12
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Cryo-Electron Microscopy and Biochemical Analysis Offer Insights Into the Effects of Acidic pH, Such as Occur During Acidosis, on the Complement Binding Properties of C-Reactive Protein.
Front Immunol, 12, 2021
8A2I
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BU of 8a2i by Molmil
human STING in complex with 2'-3'-cyclic-GMP-7-deaza(4-(2-naphthyl)phenyl)-AMP
分子名称: 2-azanyl-9-[(1~{R},6~{R},8~{R},9~{R},10~{S},15~{R},17~{R},18~{R})-8-[4-azanyl-5-(4-naphthalen-2-ylphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]-3,9,12,18-tetrakis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{6,10}]octadecan-17-yl]-3~{H}-purin-6-one, Stimulator of interferon genes protein
著者Vavrina, Z, Brynda, J, Rezacova, P.
登録日2022-06-03
公開日2022-10-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献Design, Synthesis, and Biochemical and Biological Evaluation of Novel 7-Deazapurine Cyclic Dinucleotide Analogues as STING Receptor Agonists.
J.Med.Chem., 65, 2022
7PKH
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BU of 7pkh by Molmil
C-reactive protein decamer at pH 5 with phosphocholine ligand
分子名称: C-reactive protein, CALCIUM ION, PHOSPHOCHOLINE
著者Noone, D.P, Sharp, T.H.
登録日2021-08-25
公開日2021-12-22
最終更新日2022-01-12
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Cryo-Electron Microscopy and Biochemical Analysis Offer Insights Into the Effects of Acidic pH, Such as Occur During Acidosis, on the Complement Binding Properties of C-Reactive Protein.
Front Immunol, 12, 2021
7PKG
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BU of 7pkg by Molmil
C-reactive protein pentamer at pH 5
分子名称: C-reactive protein, CALCIUM ION
著者Noone, D.P, Sharp, T.H.
登録日2021-08-25
公開日2021-12-22
最終更新日2022-01-12
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Cryo-Electron Microscopy and Biochemical Analysis Offer Insights Into the Effects of Acidic pH, Such as Occur During Acidosis, on the Complement Binding Properties of C-Reactive Protein.
Front Immunol, 12, 2021
5XMR
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BU of 5xmr by Molmil
Plasmodium vivax SHMT(C346A) bound with PLP-glycine and GS395
分子名称: (4~{S})-6-azanyl-3-methyl-4-[3-[4-(phenylmethyl)sulfonylphenyl]-5-(trifluoromethyl)phenyl]-4-propan-2-yl-2~{H}-pyrano[2 ,3-c]pyrazole-5-carbonitrile, CHLORIDE ION, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], ...
著者Chitnumsub, P, Jaruwat, A, Leartsakulpanich, U, Schwertz, G, Diederich, F.
登録日2017-05-16
公開日2017-11-29
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Conformational Aspects in the Design of Inhibitors for Serine Hydroxymethyltransferase (SHMT): Biphenyl, Aryl Sulfonamide, and Aryl Sulfone Motifs
Chemistry, 23, 2017
7ZV7
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BU of 7zv7 by Molmil
Crystal structure of SARS Cov-2 main protease in complex with an inhibitor 57
分子名称: 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, inhibitor 57
著者Rahimova, R, Di Micco, S, Marquez, J.A.
登録日2022-05-13
公開日2022-12-07
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.336 Å)
主引用文献Rational design of the zonulin inhibitor AT1001 derivatives as potential anti SARS-CoV-2.
Eur.J.Med.Chem., 244, 2022

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