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8ER7
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BU of 8er7 by Molmil
FKBP12-FRB in Complex with Compound 12
分子名称: (3S,5R,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,30R,34aS)-9,27-dihydroxy-3-{(2R)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl}-5,10,21-trimethoxy-6,8,12,14,20,26-hexamethyl-5,6,9,10,12,13,14,21,22,23,24,25,26,27,32,33,34,34a-octadecahydro-3H-23,27-epoxypyrido[2,1-c][1,4]oxazacyclohentriacontine-1,11,28,29(4H,31H)-tetrone, CHLORIDE ION, Peptidyl-prolyl cis-trans isomerase FKBP1A, ...
著者Tomlinson, A.C.A, Yano, J.K.
登録日2022-10-11
公開日2022-12-28
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (3.07 Å)
主引用文献Discovery of RMC-5552, a Selective Bi-Steric Inhibitor of mTORC1, for the Treatment of mTORC1-Activated Tumors.
J.Med.Chem., 66, 2023
7Y8C
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BU of 7y8c by Molmil
Crystal structure of CotA laccase complexed with syringaldehyde
分子名称: 3,5-dimethoxy-4-oxidanyl-benzaldehyde, COPPER (II) ION, Spore coat protein A, ...
著者Liu, Z.C, Xie, T, Wang, G.G.
登録日2022-06-23
公開日2023-06-28
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Molecular insights into substrate promiscuity of CotA laccase catalyzing lignin-phenol derivatives.
Int.J.Biol.Macromol., 256, 2023
7Y8B
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BU of 7y8b by Molmil
Crystal structure of CotA laccase complexed with syringic acid
分子名称: 3,5-dimethoxy-4-oxidanyl-benzoic acid, COPPER (II) ION, Spore coat protein A, ...
著者Liu, Z.C, Xie, T, Wang, G.G.
登録日2022-06-23
公開日2023-06-28
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Molecular insights into substrate promiscuity of CotA laccase catalyzing lignin-phenol derivatives.
Int.J.Biol.Macromol., 256, 2023
7Y5N
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BU of 7y5n by Molmil
Structure of 1:1 PAPP-A.ProMBP complex(half map)
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, Bone marrow proteoglycan, ...
著者Zhong, Q.H, Chu, H.L, Wang, G.P, Zhang, C, Wei, Y, Qiao, J, Hang, J.
登録日2022-06-17
公開日2023-01-11
実験手法ELECTRON MICROSCOPY (3.45 Å)
主引用文献Structural insights into the covalent regulation of PAPP-A activity by proMBP and STC2.
Cell Discov, 8, 2022
7Y5Q
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BU of 7y5q by Molmil
Structure of 1:1 PAPP-A.STC2 complex(half map)
分子名称: Maltose/maltodextrin-binding periplasmic protein,Pappalysin-1, Stanniocalcin-2, ZINC ION
著者Zhong, Q.H, Chu, H.L, Wang, G.P, Zhang, C, Wei, Y, Qiao, J, Hang, J.
登録日2022-06-17
公開日2023-01-11
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Structural insights into the covalent regulation of PAPP-A activity by proMBP and STC2.
Cell Discov, 8, 2022
5QKC
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BU of 5qkc by Molmil
Group deposition of library data - Crystal Structure of EcDsbA after initial refinement with no ligand modelled (structure A1_1)
分子名称: Thiol:disulfide interchange protein
著者Ilyichova, O.V, Bentley, M.R, Doak, B.C, Scanlon, M.J.
登録日2019-01-27
公開日2020-02-05
最終更新日2024-04-24
実験手法X-RAY DIFFRACTION (2.146 Å)
主引用文献Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiLX).
J.Med.Chem., 63, 2020
5QKS
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BU of 5qks by Molmil
Group deposition of library data - Crystal Structure of EcDsbA after initial refinement with no ligand modelled (structure A8_1)
分子名称: Thiol:disulfide interchange protein
著者Ilyichova, O.V, Bentley, M.R, Doak, B.C, Scanlon, M.J.
登録日2019-01-27
公開日2020-02-05
最終更新日2020-07-22
実験手法X-RAY DIFFRACTION (2.118 Å)
主引用文献Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiLX).
J.Med.Chem., 63, 2020
5QL9
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BU of 5ql9 by Molmil
Group deposition of library data - Crystal Structure of EcDsbA after initial refinement with no ligand modelled (structure B9_2)
分子名称: Thiol:disulfide interchange protein
著者Ilyichova, O.V, Bentley, M.R, Doak, B.C, Scanlon, M.J.
登録日2019-01-27
公開日2020-02-05
最終更新日2020-07-22
実験手法X-RAY DIFFRACTION (2.151 Å)
主引用文献Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiLX).
J.Med.Chem., 63, 2020
5QLS
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BU of 5qls by Molmil
Group deposition of library data - Crystal Structure of EcDsbA after initial refinement with no ligand modelled (structure D11_1)
分子名称: Thiol:disulfide interchange protein
著者Ilyichova, O.V, Bentley, M.R, Doak, B.C, Scanlon, M.J.
登録日2019-01-27
公開日2020-02-05
最終更新日2020-07-22
実験手法X-RAY DIFFRACTION (2.007 Å)
主引用文献Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiLX).
J.Med.Chem., 63, 2020
5QM7
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BU of 5qm7 by Molmil
Group deposition of library data - Crystal Structure of EcDsbA after initial refinement with no ligand modelled (structure E2_1)
分子名称: Thiol:disulfide interchange protein
著者Ilyichova, O.V, Bentley, M.R, Doak, B.C, Scanlon, M.J.
登録日2019-01-27
公開日2020-02-05
最終更新日2020-07-22
実験手法X-RAY DIFFRACTION (2.037 Å)
主引用文献Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiLX).
J.Med.Chem., 63, 2020
5QKI
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BU of 5qki by Molmil
Group deposition of library data - Crystal Structure of EcDsbA after initial refinement with no ligand modelled (structure A2_2)
分子名称: Thiol:disulfide interchange protein
著者Ilyichova, O.V, Bentley, M.R, Doak, B.C, Scanlon, M.J.
登録日2019-01-27
公開日2020-02-05
最終更新日2020-07-22
実験手法X-RAY DIFFRACTION (2.304 Å)
主引用文献Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiLX).
J.Med.Chem., 63, 2020
5QKT
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BU of 5qkt by Molmil
Group deposition of library data - Crystal Structure of EcDsbA after initial refinement with no ligand modelled (structure A9_1)
分子名称: Thiol:disulfide interchange protein
著者Ilyichova, O.V, Bentley, M.R, Doak, B.C, Scanlon, M.J.
登録日2019-01-27
公開日2020-02-05
最終更新日2020-07-22
実験手法X-RAY DIFFRACTION (1.896 Å)
主引用文献Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiLX).
J.Med.Chem., 63, 2020
5QLE
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BU of 5qle by Molmil
Group deposition of library data - Crystal Structure of EcDsbA after initial refinement with no ligand modelled (structure C2_1)
分子名称: Thiol:disulfide interchange protein
著者Ilyichova, O.V, Bentley, M.R, Doak, B.C, Scanlon, M.J.
登録日2019-01-27
公開日2020-02-05
最終更新日2020-07-22
実験手法X-RAY DIFFRACTION (1.954 Å)
主引用文献Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiLX).
J.Med.Chem., 63, 2020
5QLR
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BU of 5qlr by Molmil
Group deposition of library data - Crystal Structure of EcDsbA after initial refinement with no ligand modelled (structure D10_1)
分子名称: Thiol:disulfide interchange protein
著者Ilyichova, O.V, Bentley, M.R, Doak, B.C, Scanlon, M.J.
登録日2019-01-27
公開日2020-02-05
最終更新日2020-07-22
実験手法X-RAY DIFFRACTION (1.972 Å)
主引用文献Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiLX).
J.Med.Chem., 63, 2020
5QM3
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BU of 5qm3 by Molmil
Group deposition of library data - Crystal Structure of EcDsbA after initial refinement with no ligand modelled (structure E1_1)
分子名称: Thiol:disulfide interchange protein
著者Ilyichova, O.V, Bentley, M.R, Doak, B.C, Scanlon, M.J.
登録日2019-01-27
公開日2020-02-05
最終更新日2020-07-22
実験手法X-RAY DIFFRACTION (1.982 Å)
主引用文献Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiLX).
J.Med.Chem., 63, 2020
5QMH
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BU of 5qmh by Molmil
Group deposition of library data - Crystal Structure of EcDsbA after initial refinement with no ligand modelled (structure F11_1)
分子名称: Thiol:disulfide interchange protein
著者Ilyichova, O.V, Bentley, M.R, Doak, B.C, Scanlon, M.J.
登録日2019-01-27
公開日2020-02-05
最終更新日2020-07-22
実験手法X-RAY DIFFRACTION (2.079 Å)
主引用文献Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiLX).
J.Med.Chem., 63, 2020
5QMY
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BU of 5qmy by Molmil
Group deposition of library data - Crystal Structure of EcDsbA after initial refinement with no ligand modelled (structure G4_1)
分子名称: Thiol:disulfide interchange protein
著者Ilyichova, O.V, Bentley, M.R, Doak, B.C, Scanlon, M.J.
登録日2019-01-27
公開日2020-02-05
最終更新日2020-07-22
実験手法X-RAY DIFFRACTION (2.217 Å)
主引用文献Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiLX).
J.Med.Chem., 63, 2020
5QKM
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BU of 5qkm by Molmil
Group deposition of library data - Crystal Structure of EcDsbA after initial refinement with no ligand modelled (structure A5_1)
分子名称: Thiol:disulfide interchange protein
著者Ilyichova, O.V, Bentley, M.R, Doak, B.C, Scanlon, M.J.
登録日2019-01-27
公開日2020-02-05
最終更新日2020-07-22
実験手法X-RAY DIFFRACTION (2.487 Å)
主引用文献Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiLX).
J.Med.Chem., 63, 2020
5QL1
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BU of 5ql1 by Molmil
Group deposition of library data - Crystal Structure of EcDsbA after initial refinement with no ligand modelled (structure B3_1)
分子名称: Thiol:disulfide interchange protein
著者Ilyichova, O.V, Bentley, M.R, Doak, B.C, Scanlon, M.J.
登録日2019-01-27
公開日2020-02-05
最終更新日2020-07-22
実験手法X-RAY DIFFRACTION (2.137 Å)
主引用文献Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiLX).
J.Med.Chem., 63, 2020
5QLK
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BU of 5qlk by Molmil
Group deposition of library data - Crystal Structure of EcDsbA after initial refinement with no ligand modelled (structure C7_1)
分子名称: Thiol:disulfide interchange protein
著者Ilyichova, O.V, Bentley, M.R, Doak, B.C, Scanlon, M.J.
登録日2019-01-27
公開日2020-02-05
最終更新日2020-07-22
実験手法X-RAY DIFFRACTION (1.993 Å)
主引用文献Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiLX).
J.Med.Chem., 63, 2020
5QLZ
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BU of 5qlz by Molmil
Group deposition of library data - Crystal Structure of EcDsbA after initial refinement with no ligand modelled (structure D6_1)
分子名称: Thiol:disulfide interchange protein
著者Ilyichova, O.V, Bentley, M.R, Doak, B.C, Scanlon, M.J.
登録日2019-01-27
公開日2020-02-05
最終更新日2020-07-22
実験手法X-RAY DIFFRACTION (1.996 Å)
主引用文献Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiLX).
J.Med.Chem., 63, 2020
5QKK
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BU of 5qkk by Molmil
Group deposition of library data - Crystal Structure of EcDsbA after initial refinement with no ligand modelled (structure A4_2)
分子名称: Thiol:disulfide interchange protein
著者Ilyichova, O.V, Bentley, M.R, Doak, B.C, Scanlon, M.J.
登録日2019-01-27
公開日2020-02-05
最終更新日2020-07-22
実験手法X-RAY DIFFRACTION (2.075 Å)
主引用文献Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiLX).
J.Med.Chem., 63, 2020
5QKZ
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BU of 5qkz by Molmil
Group deposition of library data - Crystal Structure of EcDsbA after initial refinement with no ligand modelled (structure B12_2)
分子名称: Thiol:disulfide interchange protein
著者Ilyichova, O.V, Bentley, M.R, Doak, B.C, Scanlon, M.J.
登録日2019-01-27
公開日2020-02-05
最終更新日2020-07-22
実験手法X-RAY DIFFRACTION (2.381 Å)
主引用文献Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiLX).
J.Med.Chem., 63, 2020
5QLD
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BU of 5qld by Molmil
Group deposition of library data - Crystal Structure of EcDsbA after initial refinement with no ligand modelled (structure C12_1)
分子名称: Thiol:disulfide interchange protein
著者Ilyichova, O.V, Bentley, M.R, Doak, B.C, Scanlon, M.J.
登録日2019-01-27
公開日2020-02-05
最終更新日2020-07-22
実験手法X-RAY DIFFRACTION (2.125 Å)
主引用文献Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiLX).
J.Med.Chem., 63, 2020
5QLT
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BU of 5qlt by Molmil
Group deposition of library data - Crystal Structure of EcDsbA after initial refinement with no ligand modelled (structure D12_1)
分子名称: Thiol:disulfide interchange protein
著者Ilyichova, O.V, Bentley, M.R, Doak, B.C, Scanlon, M.J.
登録日2019-01-27
公開日2020-02-05
最終更新日2020-07-22
実験手法X-RAY DIFFRACTION (2.402 Å)
主引用文献Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiLX).
J.Med.Chem., 63, 2020

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件を2024-07-10に公開中

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