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4F2H
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BU of 4f2h by Molmil
Structure of the minimal Ste5 VWA domain subject to autoinhibition by the Ste5 PH domain
分子名称: Protein STE5
著者Coyle, S.M, Zalatan, J.G, Lim, W.A.
登録日2012-05-07
公開日2012-08-22
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3.192 Å)
主引用文献Conformational control of the Ste5 scaffold protein insulates against MAP kinase misactivation.
Science, 337, 2012
3PA7
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BU of 3pa7 by Molmil
Crystal structure of FKBP from plasmodium vivax in complex with tetrapeptide ALPF
分子名称: 4-mer Peptide ALPF, 70 kDa peptidylprolyl isomerase, putative
著者Balakrishna, A.M, Alag, R, Yoon, H.S.
登録日2010-10-18
公開日2012-02-29
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献Structural insights into substrate binding by PvFKBP35, a peptidylprolyl cis-trans isomerase from the human malarial parasite Plasmodium vivax
EUKARYOTIC CELL, 12, 2013
4ITZ
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BU of 4itz by Molmil
Crystal structure of the FK506 binding domain of Plasmodium vivax FKBP35 in complex with a tetrapeptide substrate
分子名称: 70 kDa peptidylprolyl isomerase, SULFATE ION, substrate peptide
著者Sreekanth, R, Yoon, H.S.
登録日2013-01-19
公開日2013-03-20
最終更新日2013-05-22
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structural insights into substrate binding by PvFKBP35, a peptidylprolyl cis-trans isomerase from the human malarial parasite Plasmodium vivax.
Eukaryot Cell, 12, 2013
4J4O
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BU of 4j4o by Molmil
Crystal structure of FK506 binding domain of plasmodium VIVAX FKBP35 in complex with D44
分子名称: 70 kDa peptidylprolyl isomerase, putative, GLYCEROL, ...
著者Sreekanth, R, Harikishore, A, Yoon, H.S.
登録日2013-02-07
公開日2013-09-11
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Small molecule Plasmodium FKBP35 inhibitor as a potential antimalaria agent.
Sci Rep, 3, 2013
4J4N
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BU of 4j4n by Molmil
Crystal structure of FK506 binding domain of plasmodium falciparum FKBP35 in complex with D44
分子名称: FK506-binding protein (FKBP)-type peptidyl-propyl isomerase, N-(2-ethylphenyl)-2-(3H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetamide
著者Sreekanth, R, Harikishore, A, Yoon, H.S.
登録日2013-02-07
公開日2013-09-11
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Small molecule Plasmodium FKBP35 inhibitor as a potential antimalaria agent.
Sci Rep, 3, 2013
5XGB
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BU of 5xgb by Molmil
Crystal structure of the PAS-GGDEF-EAL domain of PA0861 from Pseudomonas aeruginosa
分子名称: Uncharacterized protein
著者Liu, C, Liew, C.W, Sreekanth, R, Lescar, J.
登録日2017-04-13
公開日2017-12-20
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Insights into Biofilm Dispersal Regulation from the Crystal Structure of the PAS-GGDEF-EAL Region of RbdA from Pseudomonas aeruginosa.
J. Bacteriol., 200, 2018
5XGE
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BU of 5xge by Molmil
Crystal structure of the PAS-GGDEF-EAL domain of PA0861 from Pseudomonas aeruginosa in complex with cyclic di-GMP
分子名称: 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), Uncharacterized protein PA0861
著者Liu, C, Liew, C.W, Sreekanth, R, Lescar, J.
登録日2017-04-13
公開日2017-12-20
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (3.31 Å)
主引用文献Insights into Biofilm Dispersal Regulation from the Crystal Structure of the PAS-GGDEF-EAL Region of RbdA from Pseudomonas aeruginosa.
J. Bacteriol., 200, 2018
5XGD
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BU of 5xgd by Molmil
Crystal structure of the PAS-GGDEF-EAL domain of PA0861 from Pseudomonas aeruginosa in complex with GTP
分子名称: GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Uncharacterized protein PA0861
著者Liu, C, Liew, C.W, Sreekanth, R, Lescar, J.
登録日2017-04-13
公開日2017-12-20
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Insights into Biofilm Dispersal Regulation from the Crystal Structure of the PAS-GGDEF-EAL Region of RbdA from Pseudomonas aeruginosa.
J. Bacteriol., 200, 2018
6C0A
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BU of 6c0a by Molmil
Actinin-1 EF-Hand bound to the Cav1.2 IQ Motif
分子名称: Alpha-actinin-1, Voltage-dependent L-type calcium channel subunit alpha-1C
著者Turner, M.L, Ames, J.B.
登録日2017-12-28
公開日2019-01-16
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural Basis of the Localization and Activation of Neuronal L-type Ca2+ Channels by a-Actinin1 and Calmodulin
To be Published
2MPH
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BU of 2mph by Molmil
Solution Structure of human FK506 binding Protein 25
分子名称: Peptidyl-prolyl cis-trans isomerase FKBP3
著者Shin, J, Prakash, A, Yoon, H.
登録日2014-05-18
公開日2015-05-20
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural basis of nucleic acid recognition by FK506-binding protein 25 (FKBP25), a nuclear immunophilin.
Nucleic Acids Res., 44, 2016
6UKM
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BU of 6ukm by Molmil
STING C-terminal Domain Complexed with Non-cyclic Dinucleotide Compound MSA-2
分子名称: 4-(5,6-dimethoxy-1-benzothiophen-2-yl)-4-oxobutanoic acid, fusion protein of Ubiquitin-like protein SMT3 and Stimulator of interferon protein c-terminal domain
著者Lesburg, C.A.
登録日2019-10-05
公開日2020-08-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献An orally available non-nucleotide STING agonist with antitumor activity.
Science, 369, 2020
6UKU
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BU of 6uku by Molmil
STING C-terminal Domain Complexed with Non-cyclic Dinucleotide Compound 3
分子名称: 4,4'-[propane-1,3-diylbis(6-methoxy-1-benzothiene-5,2-diyl)]bis(4-oxobutanoic acid), fusion protein of Ubiquitin-like protein SMT3 and Stimulator of interferon protein c-terminal domain
著者Lesburg, C.A.
登録日2019-10-06
公開日2020-08-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献An orally available non-nucleotide STING agonist with antitumor activity.
Science, 369, 2020
6UL0
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BU of 6ul0 by Molmil
STING C-terminal Domain Complexed with Non-cyclic Dinucleotide Compound 4
分子名称: 4-{5-[(1Z)-3-{[2-(3-carboxypropanoyl)-6-methoxy-1-benzothiophen-5-yl]oxy}prop-1-en-1-yl]-6-methoxy-1-benzothiophen-2-yl}-4-oxobutanoic acid, fusion protein of Ubiquitin-like protein SMT3 and Stimulator of interferon protein c-terminal domain
著者Lesburg, C.A.
登録日2019-10-06
公開日2020-08-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献An orally available non-nucleotide STING agonist with antitumor activity.
Science, 369, 2020
6UKV
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BU of 6ukv by Molmil
STING C-terminal Domain Complexed with Non-cyclic Dinucleotide Compound 9
分子名称: 4-[6-(3-{[2-(3-carboxypropanoyl)-6-methoxy-1-benzothiophen-5-yl]oxy}propoxy)-5-methoxy-1-benzothiophen-2-yl]-4-oxobutanoic acid, fusion protein of Ubiquitin-like protein SMT3 and Stimulator of interferon protein c-terminal domain
著者Lesburg, C.A.
登録日2019-10-06
公開日2020-08-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献An orally available non-nucleotide STING agonist with antitumor activity.
Science, 369, 2020
6UKX
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BU of 6ukx by Molmil
STING C-terminal Domain Complexed with Non-cyclic Dinucleotide Compound 11
分子名称: 4,4'-{propane-1,3-diylbis[oxy(5-methoxy-1-benzothiene-6,2-diyl)]}bis(4-oxobutanoic acid), fusion protein of Ubiquitin-like protein SMT3 and Stimulator of interferon protein c-terminal domain
著者Lesburg, C.A.
登録日2019-10-06
公開日2020-08-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献An orally available non-nucleotide STING agonist with antitumor activity.
Science, 369, 2020
6UKZ
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BU of 6ukz by Molmil
STING C-terminal Domain Complexed with Non-cyclic Dinucleotide Compound 6
分子名称: 4-[5-(2-{[2-(3-carboxypropanoyl)-4-fluoro-6-methoxy-1-benzothiophen-5-yl]oxy}ethoxy)-6-methoxy-1-benzothiophen-2-yl]-4-oxobutanoic acid, fusion protein of Ubiquitin-like protein SMT3 and Stimulator of interferon protein c-terminal domain
著者Lesburg, C.A.
登録日2019-10-06
公開日2020-08-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献An orally available non-nucleotide STING agonist with antitumor activity.
Science, 369, 2020
6UKY
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BU of 6uky by Molmil
STING C-terminal Domain Complexed with Non-cyclic Dinucleotide Compound 12
分子名称: 4-(6-{3-[2-(3-carboxypropanoyl)-6-methoxy-1-benzothiophen-4-yl]propyl}-5-methoxy-1-benzothiophen-2-yl)-4-oxobutanoic acid, fusion protein of Ubiquitin-like protein SMT3 and Stimulator of interferon protein c-terminal domain
著者Lesburg, C.A.
登録日2019-10-06
公開日2020-08-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献An orally available non-nucleotide STING agonist with antitumor activity.
Science, 369, 2020
6UKW
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BU of 6ukw by Molmil
STING C-terminal Domain Complexed with Non-cyclic Dinucleotide Compound 10
分子名称: 4-[6-(3-{[2-(3-carboxypropanoyl)-4-fluoro-6-methoxy-1-benzothiophen-5-yl]oxy}propoxy)-5-methoxy-1-benzothiophen-2-yl]-4-oxobutanoic acid, fusion protein of Ubiquitin-like protein SMT3 and Stimulator of interferon protein c-terminal domain
著者Lesburg, C.A.
登録日2019-10-06
公開日2020-08-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献An orally available non-nucleotide STING agonist with antitumor activity.
Science, 369, 2020
6X3N
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BU of 6x3n by Molmil
Co-structure of BTK kinase domain with L-005085737 inhibitor
分子名称: 4-[8-azanyl-3-[(2~{S})-1-[4-(dimethylamino)butanoyl]pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-~{N}-(1,3-thiazol-2-yl)benzamide, 4-{8-amino-3-[(6R,8aS)-3-oxohexahydro-3H-[1,3]oxazolo[3,4-a]pyridin-6-yl]imidazo[1,5-a]pyrazin-1-yl}-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide, Tyrosine-protein kinase BTK
著者Fischmann, T.O.
登録日2020-05-21
公開日2020-07-22
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Potent, non-covalent reversible BTK inhibitors with 8-amino-imidazo[1,5-a]pyrazine core featuring 3-position bicyclic ring substitutes.
Bioorg.Med.Chem.Lett., 30, 2020
6X3O
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BU of 6x3o by Molmil
Co-structure of BTK kinase domain with L-005191930 inhibitor
分子名称: 4-[8-azanyl-3-[(2~{S})-1-[4-(dimethylamino)butanoyl]pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-~{N}-(1,3-thiazol-2-yl)benzamide, 4-{8-amino-3-[(6R,8aS)-3-oxo-3,5,6,7,8,8a-hexahydroindolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl}-3-methoxy-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide, Tyrosine-protein kinase BTK
著者Fischmann, T.O.
登録日2020-05-21
公開日2020-07-22
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Potent, non-covalent reversible BTK inhibitors with 8-amino-imidazo[1,5-a]pyrazine core featuring 3-position bicyclic ring substitutes.
Bioorg.Med.Chem.Lett., 30, 2020
6X3P
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BU of 6x3p by Molmil
Co-structure of BTK kinase domain with L-005298385 inhibitor
分子名称: 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-{8-amino-3-[(6R,8aS)-3-oxooctahydroindolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl}-3-(cyclopropyloxy)-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide, ...
著者Fischmann, T.O.
登録日2020-05-21
公開日2020-07-22
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.34 Å)
主引用文献Potent, non-covalent reversible BTK inhibitors with 8-amino-imidazo[1,5-a]pyrazine core featuring 3-position bicyclic ring substitutes.
Bioorg.Med.Chem.Lett., 30, 2020
5MXA
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BU of 5mxa by Molmil
Structure of unbound Interleukin-23
分子名称: Interleukin-12 subunit beta, Interleukin-23 subunit alpha, alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
著者Bloch, Y, Savvides, S.N.
登録日2017-01-22
公開日2017-12-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.501 Å)
主引用文献Structural Activation of Pro-inflammatory Human Cytokine IL-23 by Cognate IL-23 Receptor Enables Recruitment of the Shared Receptor IL-12R beta 1.
Immunity, 48, 2018
5N2K
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BU of 5n2k by Molmil
Structure of unbound Briakinumab FAb
分子名称: 1,2-ETHANEDIOL, Briakinumab FAb heavy chain, Briakinumab FAb light chain
著者Bloch, Y, Savvides, S.N.
登録日2017-02-07
公開日2018-01-03
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.219 Å)
主引用文献Structural Activation of Pro-inflammatory Human Cytokine IL-23 by Cognate IL-23 Receptor Enables Recruitment of the Shared Receptor IL-12R beta 1.
Immunity, 48, 2018
5MZV
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BU of 5mzv by Molmil
IL-23:IL-23R:Nb22E11 complex
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, CHLORIDE ION, ...
著者Bloch, Y, Savvides, S.N.
登録日2017-02-01
公開日2018-01-03
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural Activation of Pro-inflammatory Human Cytokine IL-23 by Cognate IL-23 Receptor Enables Recruitment of the Shared Receptor IL-12R beta 1.
Immunity, 48, 2018
5NJD
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BU of 5njd by Molmil
Structure of Interleukin 23 in complex with Briakinumab FAb
分子名称: Briakinumab FAb Heavy chain, Briakinumab FAb Light chain, Interleukin-12 subunit beta, ...
著者Bloch, Y, Savvides, S.N.
登録日2017-03-28
公開日2018-01-03
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.9 Å)
主引用文献Structural Activation of Pro-inflammatory Human Cytokine IL-23 by Cognate IL-23 Receptor Enables Recruitment of the Shared Receptor IL-12R beta 1.
Immunity, 48, 2018

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