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6B2U
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BU of 6b2u by Molmil
Crystal structure of Xanthomonas campestris OleA H285N with Cerulenin
分子名称: (2S, 3R)-3-HYDROXY-4-OXO-7,10-TRANS,TRANS-DODECADIENAMIDE, 3-oxoacyl-[ACP] synthase III, ...
著者Jensen, M.R, Goblirsch, B.R, Esler, M.A, Christenson, J.K, Mohamed, F.A, Wackett, L.P, Wilmot, C.M.
登録日2017-09-20
公開日2018-02-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献The role of OleA His285 in substrate coordination of long-chain acyl-CoA
To be published
6B2S
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BU of 6b2s by Molmil
Crystal structure of Xanthomonas campestris OleA H285N
分子名称: 3-oxoacyl-[ACP] synthase III, GLYCEROL, PHOSPHATE ION
著者Jensen, M.R, Goblirsch, B.R, Esler, M.A, Christenson, J.K, Mohamed, F.A, Wackett, L.P, Wilmot, C.M.
登録日2017-09-20
公開日2018-02-28
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The role of OleA His285 in orchestration of long-chain acyl-coenzyme A substrates.
FEBS Lett., 592, 2018
6B2R
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BU of 6b2r by Molmil
Crystal structure of Xanthomonas campestris OleA H285A
分子名称: 3-oxoacyl-[ACP] synthase III, GLYCEROL
著者Jensen, M.R, Goblirsch, B.R, Esler, M.A, Christenson, J.K, Mohamed, F.A, Wackett, L.P, Wilmot, C.M.
登録日2017-09-20
公開日2018-02-28
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献The role of OleA His285 in orchestration of long-chain acyl-coenzyme A substrates.
FEBS Lett., 592, 2018
6B2T
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BU of 6b2t by Molmil
Crystal structure of Xanthomonas campestris OleA H285D
分子名称: 3-oxoacyl-[ACP] synthase III, GLYCEROL, PHOSPHATE ION
著者Jensen, M.R, Goblirsch, B.R, Esler, M.A, Christenson, J.K, Mohamed, F.A, Wackett, L.P, Wilmot, C.M.
登録日2017-09-20
公開日2018-02-28
最終更新日2020-01-01
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献The role of OleA His285 in orchestration of long-chain acyl-coenzyme A substrates.
FEBS Lett., 592, 2018
5VXE
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BU of 5vxe by Molmil
Crystal structure of Xanthomonas campestris OleA E117A bound with Cerulenin
分子名称: (2S, 3R)-3-HYDROXY-4-OXO-7,10-TRANS,TRANS-DODECADIENAMIDE, 3-oxoacyl-[ACP] synthase III, ...
著者Jensen, M.R, Wilmot, C.M.
登録日2017-05-23
公開日2017-10-25
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献OleA Glu117 is key to condensation of two fatty-acyl coenzyme A substrates in long-chain olefin biosynthesis.
Biochem. J., 474, 2017
5VXG
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BU of 5vxg by Molmil
Crystal structure of Xanthomonas campestris OleA E117Q bound with Cerulenin
分子名称: (2S, 3R)-3-HYDROXY-4-OXO-7,10-TRANS,TRANS-DODECADIENAMIDE, 3-oxoacyl-[ACP] synthase III, ...
著者Jensen, M.R, Wilmot, C.M.
登録日2017-05-23
公開日2017-10-25
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献OleA Glu117 is key to condensation of two fatty-acyl coenzyme A substrates in long-chain olefin biosynthesis.
Biochem. J., 474, 2017
5VXD
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BU of 5vxd by Molmil
Crystal structure of Xanthomonas campestris OleA E117A
分子名称: 3-oxoacyl-[ACP] synthase III, GLYCEROL
著者Jensen, M.R, Wilmot, C.M.
登録日2017-05-23
公開日2017-10-25
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.968 Å)
主引用文献OleA Glu117 is key to condensation of two fatty-acyl coenzyme A substrates in long-chain olefin biosynthesis.
Biochem. J., 474, 2017
5VXI
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BU of 5vxi by Molmil
Crystal structure of Xanthomonas campestris OleA E117D bound with Cerulenin
分子名称: (2S, 3R)-3-HYDROXY-4-OXO-7,10-TRANS,TRANS-DODECADIENAMIDE, 3-oxoacyl-[ACP] synthase III, ...
著者Jensen, M.R, Wilmot, C.M.
登録日2017-05-23
公開日2017-10-25
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献OleA Glu117 is key to condensation of two fatty-acyl coenzyme A substrates in long-chain olefin biosynthesis.
Biochem. J., 474, 2017
5VXF
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BU of 5vxf by Molmil
Crystal structure of Xanthomonas campestris OleA E117Q
分子名称: 3-oxoacyl-[ACP] synthase III, GLYCEROL
著者Jensen, M.R, Wilmot, C.M.
登録日2017-05-23
公開日2017-10-25
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献OleA Glu117 is key to condensation of two fatty-acyl coenzyme A substrates in long-chain olefin biosynthesis.
Biochem. J., 474, 2017
5VXH
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BU of 5vxh by Molmil
Crystal structure of Xanthomonas campestris OleA E117D
分子名称: 3-oxoacyl-[ACP] synthase III, GLYCEROL, PHOSPHATE ION
著者Jensen, M.R, Wilmot, C.M.
登録日2017-05-23
公開日2017-10-25
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献OleA Glu117 is key to condensation of two fatty-acyl coenzyme A substrates in long-chain olefin biosynthesis.
Biochem. J., 474, 2017
4XW2
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BU of 4xw2 by Molmil
Structural basis for simvastatin competitive antagonism of complement receptor 3
分子名称: Integrin alpha-M, MAGNESIUM ION, Simvastatin acid
著者Bajic, G, Jensen, M.R, Vorup-Jensen, T, Andersen, G.R.
登録日2015-01-28
公開日2016-01-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.001 Å)
主引用文献Structural Basis for Simvastatin Competitive Antagonism of Complement Receptor 3.
J.Biol.Chem., 291, 2016
7LTE
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BU of 7lte by Molmil
Structure of the alpha-N-methyltransferase (SonM) and RiPP precursor (SonA) heteromeric complex (with SAH)
分子名称: LigA domain-containing protein, S-ADENOSYL-L-HOMOCYSTEINE, TP-methylase family protein
著者Miller, F.S, Crone, K.K, Jensen, M.R, Shaw, S, Harcombe, W.R, Elias, M, Freeman, M.F.
登録日2021-02-19
公開日2021-09-29
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Conformational rearrangements enable iterative backbone N-methylation in RiPP biosynthesis.
Nat Commun, 12, 2021
7LTH
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BU of 7lth by Molmil
Structure of the alpha-N-methyltransferase (SonM mutant Y93F) and RiPP precursor (SonA) heteromeric complex (no cofactor)
分子名称: LigA domain-containing protein, TP-methylase family protein
著者Miller, F.S, Crone, K.K, Jensen, M.R, Shaw, S, Harcombe, W.R, Elias, M, Freeman, M.F.
登録日2021-02-19
公開日2021-09-29
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Conformational rearrangements enable iterative backbone N-methylation in RiPP biosynthesis.
Nat Commun, 12, 2021
7LTS
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BU of 7lts by Molmil
Structure of the alpha-N-methyltransferase (SonM mutant R67A) and RiPP precursor (SonA) heteromeric complex (with SAH)
分子名称: LigA domain-containing protein, S-ADENOSYL-L-HOMOCYSTEINE, TP-methylase family protein
著者Miller, F.S, Crone, K.K, Jensen, M.R, Shaw, S, Harcombe, W.R, Elias, M, Freeman, M.F.
登録日2021-02-20
公開日2021-09-29
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献Conformational rearrangements enable iterative backbone N-methylation in RiPP biosynthesis.
Nat Commun, 12, 2021
7LTR
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BU of 7ltr by Molmil
Structure of the heteromeric complex between the alpha-N-methyltransferase (SonM) and a truncated construct of the RiPP precursor (SonA) (with SAM)
分子名称: GLYCEROL, LigA domain-containing protein, S-ADENOSYLMETHIONINE, ...
著者Miller, F.S, Crone, K.K, Jensen, M.R, Shaw, S, Harcombe, W.R, Elias, M, Freeman, M.F.
登録日2021-02-19
公開日2021-09-29
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Conformational rearrangements enable iterative backbone N-methylation in RiPP biosynthesis.
Nat Commun, 12, 2021
7LTC
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BU of 7ltc by Molmil
Structure of the alpha-N-methyltransferase (SonM) and RiPP precursor (SonA) heteromeric complex (no cofactor)
分子名称: LigA domain-containing protein, TP-methylase family protein
著者Miller, F.S, Crone, K.K, Jensen, M.R, Shaw, S, Harcombe, W.R, Elias, M, Freeman, M.F.
登録日2021-02-19
公開日2021-09-29
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Conformational rearrangements enable iterative backbone N-methylation in RiPP biosynthesis.
Nat Commun, 12, 2021
7LTF
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BU of 7ltf by Molmil
Structure of the alpha-N-methyltransferase (SonM mutant Y58F) and RiPP precursor (SonA) heteromeric complex (no cofactor)
分子名称: LigA domain-containing protein, TP-methylase family protein
著者Miller, F.S, Crone, K.K, Jensen, M.R, Shaw, S, Harcombe, W.R, Elias, M, Freeman, M.F.
登録日2021-02-19
公開日2021-09-29
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Conformational rearrangements enable iterative backbone N-methylation in RiPP biosynthesis.
Nat Commun, 12, 2021
4FCR
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BU of 4fcr by Molmil
Targeting conserved water molecules: Design of 4-aryl-5-cyanopyrrolo[2,3-d]pyrimidine Hsp90 inhibitors using fragment-based screening and structure-based optimization
分子名称: 2-{[4-(2-chloro-4,5-dimethoxyphenyl)-5-cyano-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl}-N,N-dimethylacetamide, Heat shock protein HSP 90-alpha
著者Davies, N.G, Browne, H, Davis, B, Foloppe, N, Geoffrey, S, Gibbons, B, Hart, T, Drysdale, M.J, Mansell, H, Massey, A, Matassova, N, Moore, J.D, Murray, J, Pratt, R, Ray, S, Roughley, S.D, Jensen, M.R, Schoepfer, J, Scriven, K, Simmonite, H, Stokes, S, Surgenor, A, Webb, P, Wright, L, Brough, P.
登録日2012-05-25
公開日2012-10-24
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.698 Å)
主引用文献Targeting conserved water molecules: Design of 4-aryl-5-cyanopyrrolo[2,3-d]pyrimidine Hsp90 inhibitors using fragment-based screening and structure-based optimization.
Bioorg.Med.Chem., 20, 2012
4FCQ
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BU of 4fcq by Molmil
Targeting conserved water molecules: Design of 4-aryl-5-cyanopyrrolo[2,3-d]pyrimidine Hsp90 inhibitors using fragment-based screening and structure-based optimization
分子名称: 4-(2,4-dimethylphenyl)-2-(methylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, Heat shock protein HSP 90-alpha
著者Davies, N.G, Browne, H, Davis, B, Foloppe, N, Geoffrey, S, Gibbons, B, Hart, T, Drysdale, M.J, Mansell, H, Massey, A, Matassova, N, Moore, J.D, Murray, J, Pratt, R, Ray, S, Roughley, S.D, Jensen, M.R, Schoepfer, J, Scriven, K, Simmonite, H, Stokes, S, Surgenor, A, Webb, P, Wright, L, Brough, P.
登録日2012-05-25
公開日2012-10-24
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.151 Å)
主引用文献Targeting conserved water molecules: Design of 4-aryl-5-cyanopyrrolo[2,3-d]pyrimidine Hsp90 inhibitors using fragment-based screening and structure-based optimization.
Bioorg.Med.Chem., 20, 2012
4FCP
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BU of 4fcp by Molmil
Targetting conserved water molecules: Design of 4-aryl-5-cyanopyrrolo [2,3-d] pyrimidine Hsp90 inhibitors using fragment-based screening and structure-based optimization
分子名称: Heat shock protein HSP 90-alpha, N,N-dimethyl-7H-purin-6-amine
著者Davies, N.G.M, Browne, H, Davies, B, Foloppe, N, Geoffrey, S, Gibbons, B, Hart, T, Drysdale, M, Mansell, H, Massey, A, Matassova, N, Moore, J.D, Murray, J, Pratt, R, Ray, S, Roughley, S.D, Jensen, M.R, Schoepfer, J, Scriven, K, Simmonite, H, Stokes, S, Surgenor, A, Webb, P, Wright, L, Brough, P.
登録日2012-05-25
公開日2012-10-24
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Targeting conserved water molecules: Design of 4-aryl-5-cyanopyrrolo[2,3-d]pyrimidine Hsp90 inhibitors using fragment-based screening and structure-based optimization.
Bioorg.Med.Chem., 20, 2012
7NYL
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BU of 7nyl by Molmil
Mutant H493A of SH3 domain of JNK-interacting Protein 1 (JIP1)
分子名称: SH3 domain of JNK-interacting Protein 1 (JIP1), TETRAETHYLENE GLYCOL, alpha-D-glucopyranose-(1-1)-alpha-D-glucopyranose
著者Perez, L.M, Ielasi, F.S, Palencia, A, Jensen, M.R.
登録日2021-03-23
公開日2021-12-22
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Visualizing protein breathing motions associated with aromatic ring flipping.
Nature, 602, 2022
7NZB
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BU of 7nzb by Molmil
Mutant V517L of the SH3 domain of JNK-interacting protein 1 (JIP1)
分子名称: PHOSPHATE ION, SH3 domain of JNK-interacting protein 1 (JIP1), TETRAETHYLENE GLYCOL
著者Perez, L.M, Ielasi, F.S, Jensen, M.R, Palencia, A.
登録日2021-03-23
公開日2021-12-22
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.959 Å)
主引用文献Visualizing protein breathing motions associated with aromatic ring flipping.
Nature, 602, 2022
7NYM
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BU of 7nym by Molmil
Mutant V517A - SH3 domain of JNK-interacting Protein 1 (JIP1)
分子名称: HEXAETHYLENE GLYCOL, PHOSPHATE ION, SH3 domain of JNK-interacting Protein 1 (JIP1), ...
著者Perez, L.M, Ielasi, F.S, Palencia, A, Jensen, M.R.
登録日2021-03-23
公開日2021-12-22
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.614 Å)
主引用文献Visualizing protein breathing motions associated with aromatic ring flipping.
Nature, 602, 2022
7NYO
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BU of 7nyo by Molmil
Mutant A541L of SH3 domain of JNK-interacting Protein 1 (JIP1)
分子名称: 1,2-ETHANEDIOL, SH3 domain of JNK-interacting Protein 1 (JIP1), SULFATE ION, ...
著者Perez, L.M, Ielasi, F.S, Palencia, A, Jensen, M.R.
登録日2021-03-23
公開日2021-12-22
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Visualizing protein breathing motions associated with aromatic ring flipping.
Nature, 602, 2022
7NYK
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BU of 7nyk by Molmil
SH3 domain of JNK-interacting Protein 1 (JIP1)
分子名称: SH3 domain of JNK-interacting Protein 1 (JIP1)
著者Perez, L.M, Ielasi, F.S, Palencia, A, Jensen, M.R.
登録日2021-03-22
公開日2021-12-22
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Visualizing protein breathing motions associated with aromatic ring flipping.
Nature, 602, 2022

 

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