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PDB: 88 件
6WVX
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BU of 6wvx by Molmil
Crystal structure of the first bromodomain of human BRD4 with benzodiazepine inhibitor
分子名称: 6'-(4-chlorophenyl)-1'-methyl-8'-(1-methyl-1H-pyrazol-4-yl)spiro[cyclopropane-1,4'-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine], Bromodomain-containing protein 4
著者Eron, S.J.
登録日2020-05-07
公開日2021-09-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structural Characterization of Degrader-Induced Ternary Complexes Using Hydrogen-Deuterium Exchange Mass Spectrometry and Computational Modeling: Implications for Structure-Based Design.
Acs Chem.Biol., 16, 2021
5K20
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BU of 5k20 by Molmil
Caspase-7 S239E Phosphomimetic
分子名称: Caspase-7 large subunit, Caspase-7 small subunit, FORMIC ACID
著者Eron, S.J, Hardy, J.A.
登録日2016-05-18
公開日2017-01-11
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献PAK2 Phosphorylation Inhibits Caspase-7 by Two Divergent Mechanisms: Slowing Activation and Blocking Substrate Binding
To Be Published
7N03
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BU of 7n03 by Molmil
Crystal structure of MTH1 in complex with compound 31
分子名称: 4-anilino-6-(hexylamino)-N-methylquinoline-3-carboxamide, 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION
著者Eron, S.J.
登録日2021-05-24
公開日2021-11-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.13 Å)
主引用文献Development of an AchillesTAG degradation system and its application to control CAR-T activity
Curr Res Chem Biol, 1, 2021
7N13
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BU of 7n13 by Molmil
Crystal structure of MTH1 in complex with compound 32
分子名称: 4-anilino-6-[4-(butylcarbamoyl)-3-fluorophenyl]-N-cyclopropyl-7-fluoroquinoline-3-carboxamide, 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION
著者Eron, S.J.
登録日2021-05-26
公開日2021-11-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Development of an AchillesTAG degradation system and its application to control CAR-T activity
Curr Res Chem Biol, 1, 2021
4WKB
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BU of 4wkb by Molmil
Crystal structure of Vibrio cholerae 5'-methylthioadenosine/S-adenosyl homocysteine nucleosidase (MTAN) complexed with methylthio-DADMe-Immucillin-A
分子名称: (3R,4S)-1-[(4-AMINO-5H-PYRROLO[3,2-D]PYRIMIDIN-7-YL)METHYL]-4-[(METHYLSULFANYL)METHYL]PYRROLIDIN-3-OL, 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase
著者Cameron, S.A, Thomas, K, Almo, S.C, Schramm, V.L.
登録日2014-10-02
公開日2015-08-19
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.37 Å)
主引用文献Active site and remote contributions to catalysis in methylthioadenosine nucleosidases.
Biochemistry, 54, 2015
4UC0
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BU of 4uc0 by Molmil
Crystal Structure Of a purine nucleoside phosphorylase (PSI-NYSGRC-029736) from Agrobacterium vitis
分子名称: HYPOXANTHINE, Purine nucleoside phosphorylase
著者Cameron, S.A, Sampathkumar, P, Ramagopal, U.A, Attonito, J, Ahmed, M, Bhosle, R, Bonanno, J, Chamala, S, Chowdhury, S, Glenn, A.S, Hammonds, J, Hillerich, B, Love, J.D, Seidel, R, Stead, M, Toro, R, Wasserman, S.R, Schramm, V.L, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
登録日2014-08-13
公開日2014-10-08
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal Structure Of a purine nucleoside phosphorylase (PSI-NYSGRC-029736) from Agrobacterium vitis
To be published
5LXH
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BU of 5lxh by Molmil
GABARAP-L1 ATG4B LIR Complex
分子名称: Cysteine protease ATG4B, GLYCEROL, Gamma-aminobutyric acid receptor-associated protein-like 1, ...
著者Mouilleron, S, Skytte Rasmussen, M, Kumar Shrestha, B, Wirth, M, Bowitz Larsen, K, Abudu Princely, Y, Sjottem, E, Tooze, S, Lamark, T, Johansen, T, Lee, R.
登録日2016-09-21
公開日2017-02-08
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献ATG4B contains a C-terminal LIR motif important for binding and efficient cleavage of mammalian orthologs of yeast Atg8.
Autophagy, 13, 2017
5LXI
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BU of 5lxi by Molmil
GABARAP-L1 ATG4B LIR Complex
分子名称: 1,2-ETHANEDIOL, Cysteine protease ATG4B, DI(HYDROXYETHYL)ETHER, ...
著者Mouilleron, S, Skytte Rasmussen, M, Kumar Shrestha, B, Wirth, M, Bowitz Larsen, K, Abudu Princely, Y, Sjottem, E, Tooze, S, Lamark, T, Johansen, T, Lee, R.
登録日2016-09-21
公開日2017-02-08
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献ATG4B contains a C-terminal LIR motif important for binding and efficient cleavage of mammalian orthologs of yeast Atg8.
Autophagy, 13, 2017
5TC5
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BU of 5tc5 by Molmil
Crystal structure of human 5'-deoxy-5'-methylthioadenosine phosphorylase in complex with butylthio-DADMe-Immucillin-A and chloride
分子名称: (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[(butylsulfanyl)methyl]pyrrolidin-3-ol, CHLORIDE ION, S-methyl-5'-thioadenosine phosphorylase
著者Cameron, S.A, Firestone, R.S, Schramm, V.L, Almo, S.C.
登録日2016-09-14
公開日2017-10-11
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献TBA
To be published
5TC8
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BU of 5tc8 by Molmil
Crystal structure of human 5'-deoxy-5'-methylthioadenosine phosphorylase in complex with methylthio-DADMe-Immucillin-A
分子名称: (3R,4S)-1-[(4-AMINO-5H-PYRROLO[3,2-D]PYRIMIDIN-7-YL)METHYL]-4-[(METHYLSULFANYL)METHYL]PYRROLIDIN-3-OL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Cameron, S.A, Firestone, R.S, Schramm, V.L, Almo, S.C.
登録日2016-09-14
公開日2017-10-11
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献TBA
To be published
5TC6
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BU of 5tc6 by Molmil
Crystal structure of human 5'-deoxy-5'-methylthioadenosine phosphorylase in complex with propylthio-immucillin-A
分子名称: (2S,3S,4R,5S)-2-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-5-[(propylsulfanyl)methyl]pyrrolidine-3,4-diol, CHLORIDE ION, GLYCEROL, ...
著者Cameron, S.A, Firestone, R.S, Schramm, V.L, Almo, S.C.
登録日2016-09-14
公開日2017-10-11
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献TBA
To be published
5TC7
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BU of 5tc7 by Molmil
Crystal structure of human 5'-deoxy-5'-methylthioadenosine phosphorylase in complex with 5'-methylthiotubercidin at 1.75 angstrom
分子名称: 2-(4-AMINO-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-METHYLSULFANYLMETHYL-TETRAHYDRO-FURAN-3,4-DIOL, CHLORIDE ION, PHOSPHATE ION, ...
著者Cameron, S.A, Firestone, R.S, Schramm, V.L, Almo, S.C.
登録日2016-09-14
公開日2017-10-11
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献TBA
To be published
5EUB
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BU of 5eub by Molmil
Crystal structure of human 5'-deoxy-5'-methylthioadenosine phosphorylase in complex with 2-amino-MTA and sulfate
分子名称: (2~{R},3~{R},4~{S},5~{S})-2-[2,6-bis(azanyl)purin-9-yl]-5-(methylsulfanylmethyl)oxolane-3,4-diol, CHLORIDE ION, GLYCEROL, ...
著者Cameron, S.A, Firestone, R.S, Schramm, V.L, Almo, S.C.
登録日2015-11-18
公開日2016-12-21
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Crystal structure of human 5'-deoxy-5'-methylthioadenosine phosphorylase in complex with 2-amino-MTA and sulfate
To be published
6ZEH
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BU of 6zeh by Molmil
Structure of PP1-spectrin alpha II chimera [PP1(7-304) + linker (G/S)x9 + spectrin alpha II (1025-1039)] bound to Phactr1 (516-580)
分子名称: MANGANESE (II) ION, PHOSPHATE ION, Phosphatase and actin regulator, ...
著者Mouilleron, S, Treisman, R, Fedoryshchak, R, Lee, R, Butler, A.M, Prechova, M.
登録日2020-06-16
公開日2020-09-30
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Molecular basis for substrate specificity of the Phactr1/PP1 phosphatase holoenzyme.
Elife, 9, 2020
6ZEE
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BU of 6zee by Molmil
Structure of PP1(7-300) bound to Phactr1 (507-580) at pH8.4
分子名称: 1,2-ETHANEDIOL, 3,6,9,12,15,18-HEXAOXAICOSANE, GLYCEROL, ...
著者Mouilleron, S, Treisman, R, Fedoryshchak, R, Lee, R, Butler, A.M, Prechova, M.
登録日2020-06-16
公開日2020-09-30
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Molecular basis for substrate specificity of the Phactr1/PP1 phosphatase holoenzyme.
Elife, 9, 2020
6ZEF
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BU of 6zef by Molmil
Structure of PP1(7-300) bound to Phactr1 (516-580) at pH 5.25
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, MANGANESE (II) ION, ...
著者Mouilleron, S, Treisman, R, Fedoryshchak, R, Lee, R, Butler, A.M, Prechova, M.
登録日2020-06-16
公開日2020-09-30
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Molecular basis for substrate specificity of the Phactr1/PP1 phosphatase holoenzyme.
Elife, 9, 2020
6ZEG
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BU of 6zeg by Molmil
Structure of PP1-IRSp53 chimera [PP1(7-304) + linker (G/S)x9 + IRSp53(449-465)] bound to Phactr1 (516-580)
分子名称: 1,2-ETHANEDIOL, 3,6,9,12,15,18-HEXAOXAICOSANE, MANGANESE (II) ION, ...
著者Mouilleron, S, Treisman, R, Fedoryshchak, R, Lee, R, Butler, A.M, Prechova, M.
登録日2020-06-16
公開日2020-09-30
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.09 Å)
主引用文献Molecular basis for substrate specificity of the Phactr1/PP1 phosphatase holoenzyme.
Elife, 9, 2020
6ZEJ
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BU of 6zej by Molmil
Structure of PP1-Phactr1 chimera [PP1(7-304) + linker (SGSGS) + Phactr1(526-580)]
分子名称: 1,2-ETHANEDIOL, GLYCEROL, MANGANESE (II) ION, ...
著者Mouilleron, S, Treisman, R, Fedoryshchak, R, Lee, R, Butler, A.M, Prechova, M.
登録日2020-06-16
公開日2020-09-30
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Molecular basis for substrate specificity of the Phactr1/PP1 phosphatase holoenzyme.
Elife, 9, 2020
6ZEI
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BU of 6zei by Molmil
Structure of PP1-IRSp53 S455E chimera [PP1(7-304) + linker (G/S)x9 + IRSp53(449-465)] bound to Phactr1 (516-580)
分子名称: GLYCEROL, MANGANESE (II) ION, PHOSPHATE ION, ...
著者Mouilleron, S, Treisman, R, Fedoryshchak, R, Lee, R, Butler, A.M, Prechova, M.
登録日2020-06-16
公開日2020-09-30
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.39 Å)
主引用文献Molecular basis for substrate specificity of the Phactr1/PP1 phosphatase holoenzyme.
Elife, 9, 2020
6AYQ
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BU of 6ayq by Molmil
Crystal structure of Campylobacter jejuni 5'-methylthioadenosine/S-adenosyl homocysteine nucleosidase (MTAN) complexed with methylthio-DADMe-Immucillin-A
分子名称: (3R,4S)-1-[(4-AMINO-5H-PYRROLO[3,2-D]PYRIMIDIN-7-YL)METHYL]-4-[(METHYLSULFANYL)METHYL]PYRROLIDIN-3-OL, 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase, GLYCEROL
著者Cameron, S.A, Harijan, R.K, Ducati, R.G, Bonanno, J.B, Almo, S.C, Schramm, V.L.
登録日2017-09-08
公開日2018-09-12
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Transition-State Analogues of Campylobacter jejuni 5'-Methylthioadenosine Nucleosidase.
ACS Chem. Biol., 13, 2018
5ETJ
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BU of 5etj by Molmil
Crystal structure of purine nucleoside phosphorylase (E258D, L261A) mutant from human complexed with DADMe-ImmG and phosphate
分子名称: 2-amino-7-{[(3R,4R)-3-hydroxy-4-(hydroxymethyl)pyrrolidin-1-yl]methyl}-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one, PHOSPHATE ION, Purine nucleoside phosphorylase
著者Cameron, S.A, Suarez, J, Schramm, V.L, Almo, S.C.
登録日2015-11-17
公開日2016-09-14
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Modulating Enzyme Catalysis through Mutations Designed to Alter Rapid Protein Dynamics.
J.Am.Chem.Soc., 138, 2016
4X24
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BU of 4x24 by Molmil
Crystal structure of Vibrio cholerae 5'-methylthioadenosine/S-adenosyl homocysteine nucleosidase (MTAN) complexed with methylthio-DADMe-Immucillin-A
分子名称: (3R,4S)-1-[(4-AMINO-5H-PYRROLO[3,2-D]PYRIMIDIN-7-YL)METHYL]-4-[(METHYLSULFANYL)METHYL]PYRROLIDIN-3-OL, 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase, TRIETHYLENE GLYCOL
著者Cameron, S.A, Thomas, K, Almo, S.C, Schramm, V.L.
登録日2014-11-25
公開日2015-08-19
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Active site and remote contributions to catalysis in methylthioadenosine nucleosidases.
Biochemistry, 54, 2015
4WKC
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BU of 4wkc by Molmil
Crystal structure of Escherichia coli 5'-methylthioadenosine/S-adenosyl homocysteine nucleosidase (MTAN) complexed with butylthio-DADMe-Immucillin-A
分子名称: (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[(butylsulfanyl)methyl]pyrrolidin-3-ol, 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase, TETRAETHYLENE GLYCOL
著者Cameron, S.A, Thomas, K, Almo, S.C, Schramm, V.L.
登録日2014-10-02
公開日2015-08-19
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Active site and remote contributions to catalysis in methylthioadenosine nucleosidases.
Biochemistry, 54, 2015
6YOO
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BU of 6yoo by Molmil
Structure of SAMM50 LIR bound to GABARAPL1
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Gamma-aminobutyric acid receptor-associated protein-like 1, ...
著者Mouilleron, S, Wenxin, Z, Johansen, T, Tooze, S, Abudu, Y.P, Lamark, T.
登録日2020-04-14
公開日2021-04-28
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.06 Å)
主引用文献Structure of SAMM50 LIR bound to GABARAPL1
To Be Published
6YOP
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BU of 6yop by Molmil
Structure of SAMM50 LIR bound to GABARAP
分子名称: Sorting and assembly machinery component 50 homolog,Gamma-aminobutyric acid receptor-associated protein
著者Mouilleron, S, Wenxin, Z, Johansen, T, Tooze, S, Abudu, Y.P, Lamark, T.
登録日2020-04-14
公開日2021-04-28
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Structure of SAMM50 LIR bound to GABARAP
To Be Published

 

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