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8AOG
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BU of 8aog by Molmil
Non-specific covalent inhibitor(17) of ERK2
分子名称: 1,2-ETHANEDIOL, Mitogen-activated protein kinase 1, SULFATE ION, ...
著者Cleasby, A.
登録日2022-08-08
公開日2022-09-28
最終更新日2022-10-05
実験手法X-RAY DIFFRACTION (1.603 Å)
主引用文献X-ray Screening of an Electrophilic Fragment Library and Application toward the Development of a Novel ERK 1/2 Covalent Inhibitor.
J.Med.Chem., 65, 2022
8AOI
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BU of 8aoi by Molmil
Specific covalent inhibitor(19) of ERK2
分子名称: 1,2-ETHANEDIOL, 1-(2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)propan-1-one, Mitogen-activated protein kinase 1, ...
著者Cleasby, A.
登録日2022-08-08
公開日2022-09-28
最終更新日2022-10-05
実験手法X-RAY DIFFRACTION (1.602 Å)
主引用文献X-ray Screening of an Electrophilic Fragment Library and Application toward the Development of a Novel ERK 1/2 Covalent Inhibitor.
J.Med.Chem., 65, 2022
8AO2
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BU of 8ao2 by Molmil
Specific covalent inhibitor (3) of ERK2
分子名称: 1,2-ETHANEDIOL, Mitogen-activated protein kinase 1, SULFATE ION, ...
著者Cleasby, A.
登録日2022-08-08
公開日2022-09-28
最終更新日2022-10-05
実験手法X-RAY DIFFRACTION (1.796 Å)
主引用文献X-ray Screening of an Electrophilic Fragment Library and Application toward the Development of a Novel ERK 1/2 Covalent Inhibitor.
J.Med.Chem., 65, 2022
8AOD
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BU of 8aod by Molmil
Specific covalent inhibitor(14) of ERK2
分子名称: 1,2-ETHANEDIOL, 1-(3-oxidanyl-2~{H}-quinoxalin-1-yl)propan-1-one, 4-prop-2-enoyl-1,3-dihydroquinoxalin-2-one, ...
著者Cleasby, A.
登録日2022-08-08
公開日2022-09-28
最終更新日2022-10-05
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献X-ray Screening of an Electrophilic Fragment Library and Application toward the Development of a Novel ERK 1/2 Covalent Inhibitor.
J.Med.Chem., 65, 2022
8AO7
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BU of 8ao7 by Molmil
Specific covalent inhibitor (8) of ERK2
分子名称: 1,2-ETHANEDIOL, Mitogen-activated protein kinase 1, SULFATE ION, ...
著者Cleasby, A.
登録日2022-08-08
公開日2022-09-28
最終更新日2022-10-05
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献X-ray Screening of an Electrophilic Fragment Library and Application toward the Development of a Novel ERK 1/2 Covalent Inhibitor.
J.Med.Chem., 65, 2022
8AOE
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BU of 8aoe by Molmil
Specific covalent inhibitor(15) of ERK2
分子名称: 1,2-ETHANEDIOL, Mitogen-activated protein kinase 1, SULFATE ION, ...
著者Cleasby, A.
登録日2022-08-08
公開日2022-09-28
最終更新日2023-05-24
実験手法X-RAY DIFFRACTION (1.687 Å)
主引用文献X-ray Screening of an Electrophilic Fragment Library and Application toward the Development of a Novel ERK 1/2 Covalent Inhibitor.
J.Med.Chem., 65, 2022
6DGX
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BU of 6dgx by Molmil
Crystal structure of HIV-1 Protease NL4-3 WT in complex with darunavir
分子名称: (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, Protease, SULFATE ION
著者Lockbaum, G.J, Schiffer, C.A.
登録日2018-05-18
公開日2018-12-26
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.001 Å)
主引用文献Structural Adaptation of Darunavir Analogues against Primary Mutations in HIV-1 Protease.
ACS Infect Dis, 5, 2019
6DH6
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BU of 6dh6 by Molmil
Crystal structure of HIV-1 Protease NL4-3 I50V Mutant in complex with darunavir
分子名称: (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, Protease, SULFATE ION
著者Lockbaum, G.J, Schiffer, C.A.
登録日2018-05-18
公開日2018-12-26
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Structural Adaptation of Darunavir Analogues against Primary Mutations in HIV-1 Protease.
ACS Infect Dis, 5, 2019
6DGY
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BU of 6dgy by Molmil
Crystal structure of HIV-1 Protease NL4-3 WT in complex with UMass1
分子名称: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-3-{[(4-aminophenyl)sulfonyl][(2S)-2-methylbutyl]amino}-1-benzyl-2-hydroxypropyl]carbamate, Protease, SULFATE ION
著者Lockbaum, G.J, Schiffer, C.A.
登録日2018-05-18
公開日2018-12-26
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.954 Å)
主引用文献Structural Adaptation of Darunavir Analogues against Primary Mutations in HIV-1 Protease.
ACS Infect Dis, 5, 2019
6DH7
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BU of 6dh7 by Molmil
Crystal structure of HIV-1 Protease NL4-3 I50V Mutant in complex with UMass1
分子名称: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-3-{[(4-aminophenyl)sulfonyl][(2S)-2-methylbutyl]amino}-1-benzyl-2-hydroxypropyl]carbamate, Protease, SULFATE ION
著者Lockbaum, G.J, Schiffer, C.A.
登録日2018-05-18
公開日2018-12-26
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.997 Å)
主引用文献Structural Adaptation of Darunavir Analogues against Primary Mutations in HIV-1 Protease.
ACS Infect Dis, 5, 2019
6DH2
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BU of 6dh2 by Molmil
Crystal structure of HIV-1 Protease NL4-3 I84V Mutant in complex with UMass6
分子名称: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-3-{[(4-aminophenyl)sulfonyl](2-ethylbutyl)amino}-1-benzyl-2-hydroxypropyl]carbamate, Protease, SULFATE ION
著者Lockbaum, G.J, Schiffer, C.A.
登録日2018-05-18
公開日2018-12-26
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.978 Å)
主引用文献Structural Adaptation of Darunavir Analogues against Primary Mutations in HIV-1 Protease.
ACS Infect Dis, 5, 2019
6QGI
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BU of 6qgi by Molmil
Crystal structure of VP5 from Haloarchaeal pleomorphic virus 2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, VP5
著者El Omari, K, Walter, T.S, Harlos, K, Grimes, J.M, Stuart, D.I, Roine, E.
登録日2019-01-11
公開日2019-02-27
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.46 Å)
主引用文献The structure of a prokaryotic viral envelope protein expands the landscape of membrane fusion proteins.
Nat Commun, 10, 2019
6QGL
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BU of 6qgl by Molmil
Crystal structure of VP5 from Haloarchaeal pleomorphic virus 6
分子名称: BROMIDE ION, VP5
著者El Omari, K, Walter, T.S, Harlos, K, Grimes, J.M, Stuart, D.I, Roine, E.
登録日2019-01-11
公開日2019-02-27
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.69 Å)
主引用文献The structure of a prokaryotic viral envelope protein expands the landscape of membrane fusion proteins.
Nat Commun, 10, 2019
4Z87
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BU of 4z87 by Molmil
Structure of the IMP dehydrogenase from Ashbya gossypii bound to GDP
分子名称: ACETATE ION, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-MONOPHOSPHATE, ...
著者Buey, R.M, de Pereda, J.M, Revuelta, J.L.
登録日2015-04-08
公開日2015-11-25
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Guanine nucleotide binding to the Bateman domain mediates the allosteric inhibition of eukaryotic IMP dehydrogenases.
Nat Commun, 6, 2015
8SPO
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BU of 8spo by Molmil
Tetramerized activation of MapSPARTA bound with NAD+
分子名称: MAGNESIUM ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Piwi domain-containing protein, ...
著者Shen, Z.F, Yang, X.Y, Fu, T.M.
登録日2023-05-03
公開日2023-08-23
最終更新日2023-09-20
実験手法ELECTRON MICROSCOPY (2.98 Å)
主引用文献Oligomerization-mediated activation of a short prokaryotic Argonaute.
Nature, 621, 2023
8SP0
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BU of 8sp0 by Molmil
Symmetric dimer of MapSPARTA bound with gRNA/tDNA hybrid
分子名称: MAGNESIUM ION, TIR-APAZ, guide RNA, ...
著者Shen, Z.F, Yang, X.Y, Fu, T.M.
登録日2023-05-01
公開日2023-08-23
最終更新日2023-09-20
実験手法ELECTRON MICROSCOPY (3.33 Å)
主引用文献Oligomerization-mediated activation of a short prokaryotic Argonaute.
Nature, 621, 2023
8FDL
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BU of 8fdl by Molmil
Human Hemoglobin with Nitrosochloramphenicol
分子名称: GLYCEROL, Hemoglobin subunit alpha, Hemoglobin subunit beta, ...
著者Powell, S.M, Richter-Addo, G.B, Thomas, L.M.
登録日2022-12-03
公開日2023-07-12
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Crystal structural investigations of heme protein derivatives resulting from reactions of aryl- and alkylhydroxylamines with human hemoglobin.
J.Inorg.Biochem., 246, 2023
8FDK
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BU of 8fdk by Molmil
Phenylhydroxylamine in Reaction with Human Hemoglobin
分子名称: GLYCEROL, Hemoglobin subunit alpha, Hemoglobin subunit beta, ...
著者Powell, S.M, Thomas, L.M, Richter-Addo, G.B.
登録日2022-12-03
公開日2023-07-12
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Crystal structural investigations of heme protein derivatives resulting from reactions of aryl- and alkylhydroxylamines with human hemoglobin.
J.Inorg.Biochem., 246, 2023
8FDN
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BU of 8fdn by Molmil
Human Hemoglobin with N-tertbutylhydroxylamine
分子名称: GLYCEROL, Hemoglobin subunit alpha, Hemoglobin subunit beta, ...
著者Powell, S.M, Richter-Addo, G.B, Thomas, L.M.
登録日2022-12-03
公開日2023-07-12
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structural investigations of heme protein derivatives resulting from reactions of aryl- and alkylhydroxylamines with human hemoglobin.
J.Inorg.Biochem., 246, 2023
2MVN
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BU of 2mvn by Molmil
Solution structure of eEF1Bdelta CAR domain in TCTP-bound state
分子名称: Elongation factor 1-delta
著者Wu, H, Feng, Y.
登録日2014-10-09
公開日2015-02-04
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Evolutionarily Conserved Binding of Translationally Controlled Tumor Protein to Eukaryotic Elongation Factor 1B.
J.Biol.Chem., 290, 2015
3Q9C
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BU of 3q9c by Molmil
Crystal Structure of H159A APAH complexed with N8-acetylspermidine
分子名称: Acetylpolyamine amidohydrolase, N-{4-[(3-aminopropyl)amino]butyl}acetamide, POTASSIUM ION, ...
著者Lombardi, P.M, Christianson, D.W.
登録日2011-01-07
公開日2011-03-02
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure of prokaryotic polyamine deacetylase reveals evolutionary functional relationships with eukaryotic histone deacetylases .
Biochemistry, 50, 2011
8FDM
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BU of 8fdm by Molmil
Human Hemoglobin in Complex with Nitrosomethane
分子名称: GLYCEROL, Hemoglobin subunit alpha, Hemoglobin subunit beta, ...
著者Powell, S.M, Richter-Addo, G.B, Thomas, L.M.
登録日2022-12-03
公開日2023-07-12
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Crystal structural investigations of heme protein derivatives resulting from reactions of aryl- and alkylhydroxylamines with human hemoglobin.
J.Inorg.Biochem., 246, 2023
8HSB
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BU of 8hsb by Molmil
Cryo-EM Structure of CdnG-E2 complex from Serratia marcescens (UltrAuFoil)
分子名称: CdnG, Type VI secretion protein
著者Xiao, J, Wang, L.
登録日2022-12-18
公開日2024-05-01
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Phage defence system CBASS is regulated by a prokaryotic E2 enzyme that imitates the ubiquitin pathway.
Nat Microbiol, 9, 2024
4Z0G
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BU of 4z0g by Molmil
Structure of the IMPDH from Ashbya gossypii bound to GMP
分子名称: GLYCEROL, GUANOSINE-5'-MONOPHOSPHATE, Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase, ...
著者Buey, R.M, de Pereda, J.M, Revuelta, J.L.
登録日2015-03-26
公開日2015-11-25
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Guanine nucleotide binding to the Bateman domain mediates the allosteric inhibition of eukaryotic IMP dehydrogenases.
Nat Commun, 6, 2015
8OHS
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BU of 8ohs by Molmil
Core-binding domain of fungal E3-binding domain bound to the native pyruvate dehydrogenase E2 core
分子名称: Dihydrolipoyllysine-residue acetyltransferase component of pyruvate dehydrogenase complex, mitochondrial, Pyruvate dehydrogenase X component
著者Forsberg, B.O.
登録日2023-03-21
公開日2023-04-26
最終更新日2024-07-24
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献The structure and evolutionary diversity of the fungal E3-binding protein.
Commun Biol, 6, 2023

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件を2024-08-07に公開中

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