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7TV7
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BU of 7tv7 by Molmil
Heterogeneous-backbone proteomimetic analogue of the disulfide-rich venom peptide lasiocepsin: beta-3-Lys modified loop
分子名称: Lasiocepsin heterogeneous-backbone proteomimetic analogue
著者Cabalteja, C.C, Harmon, T.H, Rao, S.R, Horne, W.S.
登録日2022-02-04
公開日2022-05-04
最終更新日2023-11-15
実験手法SOLUTION NMR
主引用文献Heterogeneous-Backbone Proteomimetic Analogues of Lasiocepsin, a Disulfide-Rich Antimicrobial Peptide with a Compact Tertiary Fold.
Acs Chem.Biol., 17, 2022
7Y6L
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BU of 7y6l by Molmil
The SARS-CoV-2 receptor binding domain bound with the Fab fragment of a human neutralizing antibody Ab816
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Ab816 heavy chain, Ab816 light chain, ...
著者Uchikubo, T, Shirouzu, M.
登録日2022-06-21
公開日2023-06-21
最終更新日2024-11-13
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Potent neutralizing broad-spectrum antibody against SARS-CoV-2 generated from dual-antigen-specific B cells from convalescents.
Iscience, 26, 2023
7Y6N
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BU of 7y6n by Molmil
The SARS-CoV-2 receptor binding domain bound with the Fab fragment of a human neutralizing antibody Ab803
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Ab803 heavy chain, Ab803 light chain, ...
著者Uchikubo, T, Shirouzu, M.
登録日2022-06-21
公開日2023-06-21
最終更新日2024-11-13
実験手法ELECTRON MICROSCOPY (4.4 Å)
主引用文献Potent neutralizing broad-spectrum antibody against SARS-CoV-2 generated from dual-antigen-specific B cells from convalescents.
Iscience, 26, 2023
8XLO
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BU of 8xlo by Molmil
FGFR1 kinase domain with a dual-warhead covalent inhibitor CXF-007
分子名称: CXF007, Fibroblast growth factor receptor 1, SULFATE ION
著者Chen, X.J, Chen, Y.H.
登録日2023-12-26
公開日2024-03-27
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.36 Å)
主引用文献Design, synthesis, and biological evaluation of selective covalent inhibitors of FGFR4.
Eur.J.Med.Chem., 268, 2024
8XLQ
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BU of 8xlq by Molmil
FGFR4 kinase domain with a dual-warhead covalent inhibitor CXF-007
分子名称: CXF007, Fibroblast growth factor receptor 4, SULFATE ION
著者Chen, X.J, Chen, Y.H.
登録日2023-12-26
公開日2024-03-27
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Design, synthesis, and biological evaluation of selective covalent inhibitors of FGFR4.
Eur.J.Med.Chem., 268, 2024
7W2I
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BU of 7w2i by Molmil
Crystal structure of LOG (Rv1205) from Mycobacterium tuberculosis
分子名称: 1,2-ETHANEDIOL, Cytokinin riboside 5'-monophosphate phosphoribohydrolase, DI(HYDROXYETHYL)ETHER, ...
著者Shang, L, Zhang, G.
登録日2021-11-23
公開日2022-07-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of the cytokinin-producing enzyme "lonely guy" (LOG) from Mycobacterium tuberculosis.
Biochem.Biophys.Res.Commun., 598, 2022
7V29
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BU of 7v29 by Molmil
Crystal structure of FGFR4 with a dual-warhead covalent inhhibitor
分子名称: Fibroblast growth factor receptor 4, N-[2-[[3-(3,5-dimethoxyphenyl)-2-oxidanylidene-1-[3-(4-propanoylpiperazin-1-yl)propyl]-4H-pyrimido[4,5-d]pyrimidin-7-yl]amino]phenyl]propanamide, SULFATE ION
著者Chen, X.J, Jiang, L.Y, Dai, S.Y, Qu, L.Z, Chen, Y.H.
登録日2021-08-07
公開日2022-03-30
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.983 Å)
主引用文献Structure-based design of a dual-warhead covalent inhibitor of FGFR4.
Commun Chem, 5, 2022
9ATV
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BU of 9atv by Molmil
X-ray co-crystal structure of NCGC00685960 / NCATS-SM9335 in NNMT
分子名称: (8M)-8-{3-[(3S)-1-(2-cyclohexylethyl)piperidin-3-yl]-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl}quinolin-2(1H)-one, Nicotinamide N-methyltransferase
著者Olland, A, White, A, Suto, R.
登録日2024-02-27
公開日2025-03-05
実験手法X-RAY DIFFRACTION (2.413 Å)
主引用文献NNMT inhibition blocks cancer-associated fibroblast-mediated immunosuppressi on
To Be Published
7X93
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BU of 7x93 by Molmil
The SARS-CoV-2 receptor binding domain bound with the Fab fragment of a human neutralizing antibody Ab765
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, Ab765 heavy chain, ...
著者Kamada, K, Shirouzu, M.
登録日2022-03-15
公開日2023-03-22
最終更新日2024-10-23
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Potent neutralizing broad-spectrum antibody against SARS-CoV-2 generated from dual-antigen-specific B cells from convalescents.
Iscience, 26, 2023
7X95
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BU of 7x95 by Molmil
The SARS-CoV-2 receptor binding domain bound with the Fab fragment of a human neutralizing antibody Ab709
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Ab709 heavy chain, Ab709 light chain, ...
著者Kamada, K, Shirouzu, M.
登録日2022-03-15
公開日2023-03-22
最終更新日2024-10-30
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Potent neutralizing broad-spectrum antibody against SARS-CoV-2 generated from dual-antigen-specific B cells from convalescents.
Iscience, 26, 2023
7X94
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BU of 7x94 by Molmil
The SARS-CoV-2 receptor binding domain bound with the Fab fragment of a human neutralizing antibody Ab712
分子名称: Ab712 heavy chain, Ab712 light chain, Spike glycoprotein, ...
著者Kamada, K, Shirouzu, M.
登録日2022-03-15
公開日2023-03-22
最終更新日2024-10-23
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Potent neutralizing broad-spectrum antibody against SARS-CoV-2 generated from dual-antigen-specific B cells from convalescents.
Iscience, 26, 2023
7X96
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BU of 7x96 by Molmil
The SARS-CoV-2 receptor binding domain bound with the Fab fragment of a human neutralizing antibody Ab847
分子名称: Ab847 heavy chain, Ab847 light chain, Spike glycoprotein, ...
著者Kamada, K, Shirouzu, M.
登録日2022-03-15
公開日2023-03-22
最終更新日2024-11-13
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Potent neutralizing broad-spectrum antibody against SARS-CoV-2 generated from dual-antigen-specific B cells from convalescents.
Iscience, 26, 2023
8FWD
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BU of 8fwd by Molmil
Fast and versatile sequence- independent protein docking for nanomaterials design using RPXDock
分子名称: O43-rpxdoc-EK1_A, O43-rpxdoc-EK1_B
著者Skotheim, R, Borst, A.J, Baker, D.
登録日2023-01-20
公開日2023-05-10
最終更新日2025-06-04
実験手法ELECTRON MICROSCOPY (3.67 Å)
主引用文献Fast and versatile sequence-independent protein docking for nanomaterials design using RPXDock.
Plos Comput.Biol., 19, 2023
8CWY
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BU of 8cwy by Molmil
Accurate computational design of genetically encoded 3D protein crystals
分子名称: T32-15-1, T32-15-2
著者Li, Z, Borst, A.J, Baker, D.
登録日2022-05-19
公開日2023-11-01
最終更新日2023-12-20
実験手法ELECTRON MICROSCOPY (3.34 Å)
主引用文献Accurate computational design of three-dimensional protein crystals.
Nat Mater, 22, 2023
8CUS
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BU of 8cus by Molmil
Accurate computational design of genetically encoded 3D protein crystals
分子名称: I432-1(NaCl) Chain A, I432-1(NaCl) Chain B
著者Bera, A.K, Li, Z, Baker, D.
登録日2022-05-17
公開日2023-11-01
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (3.98 Å)
主引用文献Accurate computational design of three-dimensional protein crystals.
Nat Mater, 22, 2023
8CUT
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BU of 8cut by Molmil
Accurate computational design of genetically encoded 3D protein crystals
分子名称: I432-1(Imd) Chain A, I432-1(Imd) Chain B
著者Bera, A.K, Li, Z, Baker, D.
登録日2022-05-17
公開日2023-11-01
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (4 Å)
主引用文献Accurate computational design of three-dimensional protein crystals.
Nat Mater, 22, 2023
8CUX
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BU of 8cux by Molmil
Accurate computational design of genetically encoded 3D protein crystals
分子名称: R3-1 Chain B
著者Bera, A.K, Natterman, U, Baker, D.
登録日2022-05-17
公開日2023-11-01
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Accurate computational design of three-dimensional protein crystals.
Nat Mater, 22, 2023
8CWZ
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BU of 8cwz by Molmil
Accurate computational design of genetically encoded 3D protein crystals
分子名称: I432-1-X3 Chain A, I432-1-X3 Chain B
著者Bera, A.K, Li, Z, Baker, D.
登録日2022-05-19
公開日2023-11-01
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (5.53 Å)
主引用文献Accurate computational design of three-dimensional protein crystals.
Nat Mater, 22, 2023
8CUU
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BU of 8cuu by Molmil
Accurate computational design of genetically encoded 3D protein crystals
分子名称: F4132-1-0 chain A, F4132-1-0 chain B
著者Bera, A.K, Li, Z, Baker, D.
登録日2022-05-17
公開日2023-11-01
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.91 Å)
主引用文献Accurate computational design of three-dimensional protein crystals.
Nat Mater, 22, 2023
8CUV
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BU of 8cuv by Molmil
Accurate computational design of genetically encoded 3D protein crystals
分子名称: F4132-1 chain A, F4132-1 chain B
著者Bera, A.K, Li, Z, Baker, D.
登録日2022-05-17
公開日2023-11-01
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Accurate computational design of three-dimensional protein crystals.
Nat Mater, 22, 2023
8CUW
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BU of 8cuw by Molmil
Accurate computational design of genetically encoded 3D protein crystals
分子名称: F4132-1-3 Chain A, F4132-1-3 Chain B
著者Bera, A.K, Li, Z, Baker, D.
登録日2022-05-17
公開日2023-11-01
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.55 Å)
主引用文献Accurate computational design of three-dimensional protein crystals.
Nat Mater, 22, 2023
8CWS
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BU of 8cws by Molmil
Accurate computational design of genetically encoded 3D protein crystals
分子名称: F4132-2 Chain A, F4132-2 Chain B
著者Bera, A.K, Li, Z, Baker, D.
登録日2022-05-19
公開日2023-11-01
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (4.4 Å)
主引用文献Accurate computational design of three-dimensional protein crystals.
Nat Mater, 22, 2023
8FAR
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BU of 8far by Molmil
Accurate computational design of genetically encoded 3D protein crystals
分子名称: I432-1-CC
著者Bera, A.K, Li, Z, Baker, D.
登録日2022-11-28
公開日2023-11-01
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (3.66 Å)
主引用文献Accurate computational design of three-dimensional protein crystals.
Nat Mater, 22, 2023
6E9R
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BU of 6e9r by Molmil
DHF46 filament
分子名称: DHF46 filament
著者Lynch, E.M, Shen, H, Fallas, J.A, Kollman, J.M, Baker, D.
登録日2018-08-01
公開日2018-11-21
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (5.9 Å)
主引用文献De novo design of self-assembling helical protein filaments.
Science, 362, 2018
6E9V
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BU of 6e9v by Molmil
DHF79 filament
分子名称: DHF79 filament
著者Lynch, E.M, Shen, H, Fallas, J.A, Kollman, J.M, Baker, D.
登録日2018-08-01
公開日2018-11-21
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (6.9 Å)
主引用文献De novo design of self-assembling helical protein filaments.
Science, 362, 2018

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件を2025-07-09に公開中

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