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2I6F
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BU of 2i6f by Molmil
Receiver domain from Myxococcus xanthus social motility protein FrzS
分子名称: CHLORIDE ION, Response regulator FrzS
著者Echols, N, Fraser, J, Merlie, J, Zusman, D, Alber, T.
登録日2006-08-28
公開日2007-03-13
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献An atypical receiver domain controls the dynamic polar localization of the Myxococcus xanthus social motility protein FrzS.
Mol.Microbiol., 65, 2007
2GKG
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BU of 2gkg by Molmil
Receiver domain from Myxococcus xanthus social motility protein FrzS
分子名称: response regulator homolog
著者Echols, N, Fraser, J, Merlie, J, Zusman, D, Alber, T.
登録日2006-04-01
公開日2007-03-13
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献An atypical receiver domain controls the dynamic polar localization of the Myxococcus xanthus social motility protein FrzS.
Mol.Microbiol., 65, 2007
2NT4
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BU of 2nt4 by Molmil
Receiver domain from Myxococcus xanthus social motility protein FrzS (H92F mutant)
分子名称: CHLORIDE ION, Response regulator homolog
著者Echols, N, Fraser, J, Weisfield, S, Merlie, J, Zusman, D, Alber, T.
登録日2006-11-06
公開日2007-03-13
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.02 Å)
主引用文献An atypical receiver domain controls the dynamic polar localization of the Myxococcus xanthus social motility protein FrzS.
Mol.Microbiol., 65, 2007
8H2X
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BU of 8h2x by Molmil
Structure of Acb2
分子名称: 1,2-ETHANEDIOL, GLYCEROL, p26
著者Feng, Y, Cao, X.L.
登録日2022-10-07
公開日2023-02-22
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.69 Å)
主引用文献Bacteriophages inhibit and evade cGAS-like immune function in bacteria.
Cell, 186, 2023
8H39
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BU of 8h39 by Molmil
Structure of Acb2 complexed with c-di-AMP
分子名称: (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, 1,2-ETHANEDIOL, p26
著者Feng, Y, Cao, X.L.
登録日2022-10-08
公開日2023-02-22
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Bacteriophages inhibit and evade cGAS-like immune function in bacteria.
Cell, 186, 2023
8H2J
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BU of 8h2j by Molmil
Structure of Acb2 complexed with 3',3'-cGAMP
分子名称: 2-amino-9-[(2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-9-(6-amino-9H-purin-9-yl)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecin-2-yl]-1,9-dihydro-6H-purin-6-one, p26
著者Feng, Y, Cao, X.L.
登録日2022-10-06
公開日2023-02-22
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Bacteriophages inhibit and evade cGAS-like immune function in bacteria.
Cell, 186, 2023
7LVK
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BU of 7lvk by Molmil
Cfr-modified 50S subunit from Escherichia coli
分子名称: 23S rRNA, 50S ribosomal protein L13, 50S ribosomal protein L14, ...
著者Stojkovic, V, Myasnikov, A.G, Frost, A, Fujimori, D.G.
登録日2021-02-25
公開日2021-12-15
最終更新日2023-11-15
実験手法ELECTRON MICROSCOPY (2.2 Å)
主引用文献Investigating antibiotic resistance of a ribosomal-RNA methylating enzyme through directed evolution
To Be Published
6DHH
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BU of 6dhh by Molmil
RT XFEL structure of Photosystem II 400 microseconds after the second illumination at 2.2 Angstrom resolution
分子名称: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
著者Kern, J, Chatterjee, R, Young, I.D, Fuller, F.D, Lassalle, L, Ibrahim, M, Gul, S, Fransson, T, Brewster, A.S, Alonso-Mori, R, Hussein, R, Zhang, M, Douthit, L, de Lichtenberg, C, Cheah, M.H, Shevela, D, Wersig, J, Seufert, I, Sokaras, D, Pastor, E, Weninger, C, Kroll, T, Sierra, R.G, Aller, P, Butryn, A, Orville, A.M, Liang, M, Batyuk, A, Koglin, J.E, Carbajo, S, Boutet, S, Moriarty, N.W, Holton, J.M, Dobbek, H, Adams, P.D, Bergmann, U, Sauter, N.K, Zouni, A, Messinger, J, Yano, J, Yachandra, V.K.
登録日2018-05-20
公開日2018-11-21
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structures of the intermediates of Kok's photosynthetic water oxidation clock.
Nature, 563, 2018
8TSB
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BU of 8tsb by Molmil
Human PI3K p85alpha/p110alpha bound to compound 2
分子名称: 5-(3-bromo-5-fluorobenzamido)-N-methyl-6-(2-methylanilino)pyridine-3-carboxamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
著者Holliday, M, Tang, Y, Bulku, A, Wilbur, J, Fraser, J.
登録日2023-08-11
公開日2023-11-22
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (3.53 Å)
主引用文献Discovery and Clinical Proof-of-Concept of RLY-2608, a First-in-Class Mutant-Selective Allosteric PI3K alpha Inhibitor That Decouples Antitumor Activity from Hyperinsulinemia.
Cancer Discov, 14, 2024
8TSA
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BU of 8tsa by Molmil
Human PI3K p85alpha/p110alpha H1047R bound to compound 2
分子名称: 5-(3-bromo-5-fluorobenzamido)-N-methyl-6-(2-methylanilino)pyridine-3-carboxamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
著者Holliday, M, Tang, Y, Bulku, A, Wilbur, J, Fraser, J, Valverde, R.
登録日2023-08-11
公開日2023-11-22
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献Discovery and Clinical Proof-of-Concept of RLY-2608, a First-in-Class Mutant-Selective Allosteric PI3K alpha Inhibitor That Decouples Antitumor Activity from Hyperinsulinemia.
Cancer Discov, 14, 2024
8TS8
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BU of 8ts8 by Molmil
p85alpha/p110alpha heterodimer H1047R mutant
分子名称: Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
著者Holliday, M, Tang, Y, Bulku, A, Wilbur, J, Fraser, J.
登録日2023-08-11
公開日2023-11-22
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.72 Å)
主引用文献Discovery and Clinical Proof-of-Concept of RLY-2608, a First-in-Class Mutant-Selective Allosteric PI3K alpha Inhibitor That Decouples Antitumor Activity from Hyperinsulinemia.
Cancer Discov, 14, 2024
8TSD
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BU of 8tsd by Molmil
Human PI3K p85alpha/p110alpha bound to RLY-2608
分子名称: N-{(3R,6M)-3-(2-chloro-5-fluorophenyl)-6-[(4S)-5-cyano[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1-oxo-2,3-dihydro-1H-isoindol-4-yl}-3-fluoro-5-(trifluoromethyl)benzamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
著者Holliday, M, Tang, Y, Bulku, A, Wilbur, J, Fraser, J.
登録日2023-08-11
公開日2023-11-22
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Discovery and Clinical Proof-of-Concept of RLY-2608, a First-in-Class Mutant-Selective Allosteric PI3K alpha Inhibitor That Decouples Antitumor Activity from Hyperinsulinemia.
Cancer Discov, 14, 2024
8TS7
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BU of 8ts7 by Molmil
Human PI3K p85alpha/p110alpha
分子名称: Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
著者Holliday, M, Tang, Y, Bulku, A, Wilbur, J, Fraser, J.
登録日2023-08-11
公開日2023-11-22
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.71 Å)
主引用文献Discovery and Clinical Proof-of-Concept of RLY-2608, a First-in-Class Mutant-Selective Allosteric PI3K alpha Inhibitor That Decouples Antitumor Activity from Hyperinsulinemia.
Cancer Discov, 14, 2024
8TS9
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BU of 8ts9 by Molmil
Human PI3K p85alpha/p110alpha H1047R bound to compound 1
分子名称: 5-[3-fluoro-5-(trifluoromethyl)benzamido]-N-methyl-6-(2-methylanilino)pyridine-3-carboxamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
著者Holliday, M, Tang, Y, Bulku, A, Wilbur, J, Fraser, J.
登録日2023-08-11
公開日2023-11-22
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.83 Å)
主引用文献Discovery and Clinical Proof-of-Concept of RLY-2608, a First-in-Class Mutant-Selective Allosteric PI3K alpha Inhibitor That Decouples Antitumor Activity from Hyperinsulinemia.
Cancer Discov, 14, 2024
8TSC
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BU of 8tsc by Molmil
Human PI3K p85alpha/p110alpha H1047R bound to compound 3
分子名称: (1S)-7-[3-fluoro-5-(trifluoromethyl)benzamido]-N-methyl-1-(2-methylphenyl)-3-oxo-2,3-dihydro-1H-isoindole-5-carboxamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
著者Holliday, M, Tang, Y, Bulku, A, Wilbur, J, Fraser, J.
登録日2023-08-11
公開日2023-11-22
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (3.62 Å)
主引用文献Discovery and Clinical Proof-of-Concept of RLY-2608, a First-in-Class Mutant-Selective Allosteric PI3K alpha Inhibitor That Decouples Antitumor Activity from Hyperinsulinemia.
Cancer Discov, 14, 2024
3QBV
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BU of 3qbv by Molmil
Structure of designed orthogonal interaction between CDC42 and nucleotide exchange domains of intersectin
分子名称: Cell division control protein 42 homolog, GUANOSINE-5'-DIPHOSPHATE, Intersectin-1
著者Kapp, G.T, Remenyi, A, Lim, W.A, Kortemme, T.
登録日2011-01-14
公開日2012-02-08
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Control of protein signaling using a computationally designed GTPase/GEF orthogonal pair.
Proc.Natl.Acad.Sci.USA, 109, 2012
6VG7
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BU of 6vg7 by Molmil
De novo designed Rossmann fold protein ROS2_49223
分子名称: De novo designed protein RO2_25
著者Pan, X, Zhang, Y, Kelly, M, Kortemme, T.
登録日2020-01-07
公開日2020-08-19
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Expanding the space of protein geometries by computational design of de novo fold families.
Science, 369, 2020
6VGA
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BU of 6vga by Molmil
De novo designed Rossmann fold protein ROS2_835
分子名称: De novo designed protein RO2_1
著者Pan, X, Zhang, Y, Kelly, M, Kortemme, T.
登録日2020-01-07
公開日2020-08-19
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Expanding the space of protein geometries by computational design of de novo fold families.
Science, 369, 2020
6VGB
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BU of 6vgb by Molmil
De novo designed Rossmann fold protein ROS2_36830
分子名称: De novo designed protein RO2_20
著者Pan, X, Zhang, Y, Kelly, M, Kortemme, T.
登録日2020-01-07
公開日2020-08-19
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Expanding the space of protein geometries by computational design of de novo fold families.
Science, 369, 2020
4QK7
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BU of 4qk7 by Molmil
Influenza A M2 wild type TM domain at high pH in the lipidic cubic phase under cryo diffraction conditions
分子名称: (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 1,2-ETHANEDIOL, CALCIUM ION, ...
著者Thomaston, J.L.
登録日2014-06-05
公開日2015-11-11
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献High-resolution structures of the M2 channel from influenza A virus reveal dynamic pathways for proton stabilization and transduction.
Proc.Natl.Acad.Sci.USA, 112, 2015
4QKC
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BU of 4qkc by Molmil
Influenza A M2 wild type TM domain at low pH in the lipidic cubic phase under cryo diffraction conditions
分子名称: (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 1,2-ETHANEDIOL, CALCIUM ION, ...
著者Thomaston, J.L, DeGrado, W.F.
登録日2014-06-05
公開日2015-11-11
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献High-resolution structures of the M2 channel from influenza A virus reveal dynamic pathways for proton stabilization and transduction.
Proc.Natl.Acad.Sci.USA, 112, 2015
4QKL
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BU of 4qkl by Molmil
Influenza A M2 wild type TM domain at high pH in the lipidic cubic phase under room temperature diffraction conditions
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, CHLORIDE ION, ...
著者Thomaston, J.L, DeGrado, W.F.
登録日2014-06-06
公開日2015-11-11
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.711 Å)
主引用文献High-resolution structures of the M2 channel from influenza A virus reveal dynamic pathways for proton stabilization and transduction.
Proc.Natl.Acad.Sci.USA, 112, 2015
4QKM
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BU of 4qkm by Molmil
Influenza A M2 wild type TM domain at low pH in the lipidic cubic phase under room temperature diffraction conditions
分子名称: (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 1,2-ETHANEDIOL, CALCIUM ION, ...
著者Thomaston, J.L, DeGrado, W.F.
登録日2014-06-06
公開日2015-11-11
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献High-resolution structures of the M2 channel from influenza A virus reveal dynamic pathways for proton stabilization and transduction.
Proc.Natl.Acad.Sci.USA, 112, 2015
7RXF
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BU of 7rxf by Molmil
Multi-conformer model of Apo Ketosteroid Isomerase Y57F mutant from Pseudomonas Putida (pKSI) at 250 K
分子名称: CHLORIDE ION, MAGNESIUM ION, Steroid Delta-isomerase
著者Yabukarski, F, Doukov, T, Herschlag, D.
登録日2021-08-23
公開日2022-11-09
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.16 Å)
主引用文献Ensemble-function relationships to dissect mechanisms of enzyme catalysis.
Sci Adv, 8, 2022
7RY4
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BU of 7ry4 by Molmil
Multi-conformer model of Ketosteroid Isomerase Y57F/D40N mutant from Pseudomonas Putida (pKSI) bound to a transition state analog at 250 K
分子名称: (9beta,13alpha)-3-hydroxyestra-1,3,5(10)-trien-17-one, CHLORIDE ION, MAGNESIUM ION, ...
著者Yabukarski, F, Doukov, T, Herschlag, D.
登録日2021-08-24
公開日2022-11-09
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.11 Å)
主引用文献Ensemble-function relationships to dissect mechanisms of enzyme catalysis.
Sci Adv, 8, 2022

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