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7QMX
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BU of 7qmx by Molmil
Endothiapepsin in complex with compound TL00150 at room-temperature (temperature ramping up structure 7)
分子名称: 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, DIMETHYL SULFOXIDE, Endothiapepsin, ...
著者Huang, C.Y, Aumonier, S, Wang, M.
登録日2021-12-20
公開日2022-08-17
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Probing ligand binding of endothiapepsin by `temperature-resolved' macromolecular crystallography.
Acta Crystallogr D Struct Biol, 78, 2022
7QN0
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BU of 7qn0 by Molmil
Endothiapepsin in complex with compound TL00150 at room-temperature (temperature ramping up structure 10)
分子名称: 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, DIMETHYL SULFOXIDE, Endothiapepsin, ...
著者Huang, C.Y, Aumonier, S, Wang, M.
登録日2021-12-20
公開日2022-08-17
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Probing ligand binding of endothiapepsin by `temperature-resolved' macromolecular crystallography.
Acta Crystallogr D Struct Biol, 78, 2022
7QN2
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BU of 7qn2 by Molmil
Endothiapepsin in complex with compound TL00150 at room-temperature (temperature ramping up structure 12)
分子名称: 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, DIMETHYL SULFOXIDE, Endothiapepsin, ...
著者Huang, C.Y, Aumonier, S, Wang, M.
登録日2021-12-20
公開日2022-08-17
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Probing ligand binding of endothiapepsin by `temperature-resolved' macromolecular crystallography.
Acta Crystallogr D Struct Biol, 78, 2022
7YXW
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BU of 7yxw by Molmil
Structure of the p22phox A200G mutant in complex with p47phox peptide
分子名称: Cytochrome b-245 light chain, Neutrophil cytosol factor 1
著者Cukier, C.D, Vuillard, L.M, Komjati, B, Szlavik, Z.
登録日2022-02-16
公開日2022-03-30
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Targeting NOX2 via p47/phox-p22/phox Inhibition with Novel Triproline Mimetics
Acs Med.Chem.Lett., 13, 2022
5EDS
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BU of 5eds by Molmil
Crystal structure of human PI3K-gamma in complex with benzimidazole inhibitor 5
分子名称: 4-azanyl-6-[[(1~{S})-1-[6-fluoranyl-1-(3-methylsulfonylphenyl)benzimidazol-2-yl]ethyl]amino]pyrimidine-5-carbonitrile, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION
著者Whittington, D.A, Tang, J, Yakowec, P.
登録日2015-10-21
公開日2015-12-30
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Discovery, Optimization, and in Vivo Evaluation of Benzimidazole Derivatives AM-8508 and AM-9635 as Potent and Selective PI3K delta Inhibitors.
J.Med.Chem., 59, 2016
7YX9
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BU of 7yx9 by Molmil
MHC-II dynamics are maintained in HLA-DR allotypes to ensure catalyzed peptide exchange
分子名称: 1,2-ETHANEDIOL, CLIP 103-107, HLA class II histocompatibility antigen, ...
著者Roske, Y, Abualrous, E.T.
登録日2022-02-15
公開日2023-02-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献MHC-II dynamics are maintained in HLA-DR allotypes to ensure catalyzed peptide exchange.
Nat.Chem.Biol., 19, 2023
7YXB
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BU of 7yxb by Molmil
MHC-II dynamics are maintained in HLA-DR allotypes to ensure catalyzed peptide exchange
分子名称: 1,2-ETHANEDIOL, CITRATE ANION, CLIP peptide, ...
著者Roske, Y, Abualrous, E.T, Freund, C.
登録日2022-02-15
公開日2023-02-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.095 Å)
主引用文献MHC-II dynamics are maintained in HLA-DR allotypes to ensure catalyzed peptide exchange.
Nat.Chem.Biol., 19, 2023
7Z0Q
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BU of 7z0q by Molmil
MHC-II dynamics are maintained in HLA-DR allotypes to ensure catalyzed peptide exchange
分子名称: 1,2-ETHANEDIOL, CLIP peptide, HLA class II histocompatibility antigen, ...
著者Roske, Y, Abualrous, E.T, Freund, C.
登録日2022-02-23
公開日2023-03-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献MHC-II dynamics are maintained in HLA-DR allotypes to ensure catalyzed peptide exchange.
Nat.Chem.Biol., 19, 2023
8A46
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BU of 8a46 by Molmil
Crystal structure of the human Kelch domain of Keap1 in complex with compound S217879
分子名称: 2-[(1S,2R,8S)-2,4,32-trimethyl-28,28-bis(oxidanylidene)-19,22,27-trioxa-28$l^{6}-thia-1,14,15,16-tetrazahexacyclo[21.5.3.1^{3,7}.1^{9,13}.0^{12,16}.0^{26,30}]tritriaconta-3(33),4,6,9(32),10,12,14,23,25,30-decaen-8-yl]ethanoic acid, Kelch-like ECH-associated protein 1
著者Weber, C, Vuillard, L, Delerive, P, Miallau, L.
登録日2022-06-10
公開日2022-07-13
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.323 Å)
主引用文献Selective disruption of NRF2-KEAP1 interaction leads to NASH resolution and reduction of liver fibrosis in mice.
JHEP Rep, 5, 2023
8RWL
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BU of 8rwl by Molmil
Crystal structure of Methanopyrus kandleri malate dehydrogenase mutant 1
分子名称: CHLORIDE ION, GLYCEROL, Malate dehydrogenase, ...
著者Coquille, S, Roche, J, Engilberge, S, Girard, E, Madern, D.
登録日2024-02-05
公開日2024-07-10
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Navigating the conformational landscape of an enzyme. Stabilization of a low populated conformer by evolutionary mutations triggers Allostery into a non-allosteric enzyme.
To Be Published
8RS5
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BU of 8rs5 by Molmil
Crystal structure of Methanopyrus kandleri malate dehydrogenase mutant 4
分子名称: CHLORIDE ION, Malate dehydrogenase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Coquille, S, Engilberge, S, Madern, D.
登録日2024-01-24
公開日2024-07-10
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Navigating the conformational landscape of an enzyme. Stabilization of a low populated conformer by evolutionary mutations triggers Allostery into a non-allosteric enzyme.
To Be Published
4IRJ
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BU of 4irj by Molmil
Structure of the mouse CD1d-4ClPhC-alpha-GalCer-iNKT TCR complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d1, ...
著者Nemcovic, M, Zajonc, D.M.
登録日2013-01-14
公開日2013-08-28
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Enhanced TCR footprint by a novel glycolipid increases NKT-dependent tumor protection.
J.Immunol., 191, 2013
4IRS
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BU of 4irs by Molmil
Structure of the mouse CD1d-PyrC-alpha-GalCer-iNKT TCR 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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Nemcovic, M, Zajonc, D.M.
登録日2013-01-15
公開日2013-09-04
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Enhanced TCR footprint by a novel glycolipid increases NKT-dependent tumor protection.
J.Immunol., 191, 2013
7RNI
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BU of 7rni by Molmil
Discovery of an Anion-Dependent Farnesyltransferase Inhibitor from a Phenotypic Screen
分子名称: ACETYL GROUP, DIMETHYLALLYL DIPHOSPHATE, MAGNESIUM ION, ...
著者Hruza, A, Strickland, C.L.
登録日2021-07-29
公開日2021-09-08
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.978 Å)
主引用文献Discovery of an Anion-Dependent Farnesyltransferase Inhibitor from a Phenotypic Screen.
ACS Med Chem Lett, 12, 2021
7RN5
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BU of 7rn5 by Molmil
Discovery of an Anion-Dependent Farnesyltransferase Inhibitor from a Phenotypic Screen
分子名称: ACETYL GROUP, MAGNESIUM ION, PYROPHOSPHATE, ...
著者Hruza, A, Strickland, C.L.
登録日2021-07-29
公開日2021-09-08
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Discovery of an Anion-Dependent Farnesyltransferase Inhibitor from a Phenotypic Screen.
ACS Med Chem Lett, 12, 2021
6OOR
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BU of 6oor by Molmil
Structure of 1B1 bound to mouse CD1d
分子名称: Antibody 1B1 Heavy chain, Antibody 1B1 Light chain, Antigen-presenting glycoprotein CD1d1, ...
著者Ying, G, Zajonc, D.M.
登録日2019-04-23
公開日2019-07-17
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Structural basis of NKT cell inhibition using the T-cell receptor-blocking anti-CD1d antibody 1B1.
J.Biol.Chem., 294, 2019
1HAV
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BU of 1hav by Molmil
HEPATITIS A VIRUS 3C PROTEINASE
分子名称: CHLORIDE ION, HEPATITIS A VIRUS 3C PROTEINASE
著者Bergmann, E.M, James, M.N.G.
登録日1996-10-23
公開日1996-12-23
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The refined crystal structure of the 3C gene product from hepatitis A virus: specific proteinase activity and RNA recognition.
J.Virol., 71, 1997
7R1E
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BU of 7r1e by Molmil
Mosquitocidal Cry11Ba determined at pH 10.4 from naturally-occurring nanocrystals by Serial femtosecond crystallography
分子名称: GLYCEROL, Pesticidal crystal protein Cry11Ba
著者Colletier, J.-P, Sawaya, M.R, Schibrowsky, N.A, Cascio, D, Rodriguez, J.A.
登録日2022-02-02
公開日2022-07-27
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献De novo determination of mosquitocidal Cry11Aa and Cry11Ba structures from naturally-occurring nanocrystals.
Nat Commun, 13, 2022
6OJP
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BU of 6ojp by Molmil
Structure of glycolipid alpha-GSA[8,6P] in complex with mouse CD1d
分子名称: (5R,6S,7S)-5,6-dihydroxy-7-(octanoylamino)-N-(6-phenylhexyl)-8-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}octanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d1, ...
著者Zajonc, D.M, Bitra, A.
登録日2019-04-11
公開日2019-08-21
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献A molecular switch in mouse CD1d modulates natural killer T cell activation by alpha-galactosylsphingamides.
J.Biol.Chem., 294, 2019
7QYD
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BU of 7qyd by Molmil
mosquitocidal Cry11Ba determined at pH 6.5 from naturally-occurring nanocrystals by Serial femtosecond crystallography
分子名称: Pesticidal crystal protein Cry11Ba
著者De Zitter, E, Tetreau, G, Andreeva, E.A, Coquelle, N, Colletier, J.-P, Sawaya, M.R, Schibrowsky, N.A, Cascio, D, Rodriguez, J.A.
登録日2022-01-28
公開日2022-07-27
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献De novo determination of mosquitocidal Cry11Aa and Cry11Ba structures from naturally-occurring nanocrystals.
Nat Commun, 13, 2022
7QX4
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BU of 7qx4 by Molmil
mosquitocidal Cry11Aa determined at pH 7 from naturally-occurring nanocrystals by Serial femtosecond crystallography
分子名称: Pesticidal crystal protein Cry11Aa
著者De Zitter, E, Tetreau, G, Andreeva, E.A, Coquelle, N, Colletier, J.-P.
登録日2022-01-26
公開日2022-07-27
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献De novo determination of mosquitocidal Cry11Aa and Cry11Ba structures from naturally-occurring nanocrystals.
Nat Commun, 13, 2022
7QX6
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BU of 7qx6 by Molmil
mosquitocidal Cry11Aa-E583Q determined at pH 7 from naturally-occurring nanocrystals by Serial femtosecond crystallography
分子名称: Pesticidal crystal protein Cry11Aa
著者De Zitter, E, Tetreau, G, Andreeva, E.A, Coquelle, N, Colletier, J.-P.
登録日2022-01-26
公開日2022-07-27
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献De novo determination of mosquitocidal Cry11Aa and Cry11Ba structures from naturally-occurring nanocrystals.
Nat Commun, 13, 2022
7QX5
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BU of 7qx5 by Molmil
mosquitocidal Cry11Aa-Y449F determined at pH 7 from naturally-occurring nanocrystals by Serial femtosecond crystallography
分子名称: Pesticidal crystal protein Cry11Aa
著者De Zitter, E, Tetreau, G, Andreeva, E.A, Coquelle, N, Colletier, J.-P.
登録日2022-01-26
公開日2022-07-27
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献De novo determination of mosquitocidal Cry11Aa and Cry11Ba structures from naturally-occurring nanocrystals.
Nat Commun, 13, 2022
7QX7
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BU of 7qx7 by Molmil
mosquitocidal Cry11Aa-F17Y determined at pH 7 from naturally-occurring nanocrystals by Serial femtosecond crystallography
分子名称: Pesticidal crystal protein Cry11Aa
著者De Zitter, E, Tetreau, G, Andreeva, E.A, Coquelle, N, Colletier, J.-P.
登録日2022-01-26
公開日2022-07-27
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献De novo determination of mosquitocidal Cry11Aa and Cry11Ba structures from naturally-occurring nanocrystals.
Nat Commun, 13, 2022
7PI6
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BU of 7pi6 by Molmil
Trypanosoma brucei ISG65 bound to human complement C3d
分子名称: 2-(2-METHOXYETHOXY)ETHANOL, 65 kDa invariant surface glycoprotein, Complement C3dg fragment, ...
著者Cook, A.D, Higgins, M.K.
登録日2021-08-19
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Invariant surface glycoprotein 65 of Trypanosoma brucei is a complement C3 receptor.
Nat Commun, 13, 2022

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