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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
Descriptor: Lasiocepsin heterogeneous-backbone proteomimetic analogue
Authors:Cabalteja, C.C, Harmon, T.H, Rao, S.R, Horne, W.S.
Deposit date:2022-02-04
Release date:2022-05-04
Last modified:2023-11-15
Method:SOLUTION NMR
Cite: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
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Ab816 heavy chain, Ab816 light chain, ...
Authors:Uchikubo, T, Shirouzu, M.
Deposit date:2022-06-21
Release date:2023-06-21
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite: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
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Ab803 heavy chain, Ab803 light chain, ...
Authors:Uchikubo, T, Shirouzu, M.
Deposit date:2022-06-21
Release date:2023-06-21
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (4.4 Å)
Cite: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
Descriptor: CXF007, Fibroblast growth factor receptor 1, SULFATE ION
Authors:Chen, X.J, Chen, Y.H.
Deposit date:2023-12-26
Release date:2024-03-27
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.36 Å)
Cite: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
Descriptor: CXF007, Fibroblast growth factor receptor 4, SULFATE ION
Authors:Chen, X.J, Chen, Y.H.
Deposit date:2023-12-26
Release date:2024-03-27
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.95 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, Cytokinin riboside 5'-monophosphate phosphoribohydrolase, DI(HYDROXYETHYL)ETHER, ...
Authors:Shang, L, Zhang, G.
Deposit date:2021-11-23
Release date:2022-07-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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
Descriptor: 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
Authors:Chen, X.J, Jiang, L.Y, Dai, S.Y, Qu, L.Z, Chen, Y.H.
Deposit date:2021-08-07
Release date:2022-03-30
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.983 Å)
Cite: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
Descriptor: (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
Authors:Olland, A, White, A, Suto, R.
Deposit date:2024-02-27
Release date:2025-03-05
Method:X-RAY DIFFRACTION (2.413 Å)
Cite: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
Descriptor: 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, ...
Authors:Kamada, K, Shirouzu, M.
Deposit date:2022-03-15
Release date:2023-03-22
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite: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
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Ab709 heavy chain, Ab709 light chain, ...
Authors:Kamada, K, Shirouzu, M.
Deposit date:2022-03-15
Release date:2023-03-22
Last modified:2024-10-30
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite: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
Descriptor: Ab712 heavy chain, Ab712 light chain, Spike glycoprotein, ...
Authors:Kamada, K, Shirouzu, M.
Deposit date:2022-03-15
Release date:2023-03-22
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (4 Å)
Cite: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
Descriptor: Ab847 heavy chain, Ab847 light chain, Spike glycoprotein, ...
Authors:Kamada, K, Shirouzu, M.
Deposit date:2022-03-15
Release date:2023-03-22
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite: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
Descriptor: O43-rpxdoc-EK1_A, O43-rpxdoc-EK1_B
Authors:Skotheim, R, Borst, A.J, Baker, D.
Deposit date:2023-01-20
Release date:2023-05-10
Last modified:2025-06-04
Method:ELECTRON MICROSCOPY (3.67 Å)
Cite: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
Descriptor: T32-15-1, T32-15-2
Authors:Li, Z, Borst, A.J, Baker, D.
Deposit date:2022-05-19
Release date:2023-11-01
Last modified:2023-12-20
Method:ELECTRON MICROSCOPY (3.34 Å)
Cite: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
Descriptor: I432-1(NaCl) Chain A, I432-1(NaCl) Chain B
Authors:Bera, A.K, Li, Z, Baker, D.
Deposit date:2022-05-17
Release date:2023-11-01
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (3.98 Å)
Cite: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
Descriptor: I432-1(Imd) Chain A, I432-1(Imd) Chain B
Authors:Bera, A.K, Li, Z, Baker, D.
Deposit date:2022-05-17
Release date:2023-11-01
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (4 Å)
Cite: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
Descriptor: R3-1 Chain B
Authors:Bera, A.K, Natterman, U, Baker, D.
Deposit date:2022-05-17
Release date:2023-11-01
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.85 Å)
Cite: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
Descriptor: I432-1-X3 Chain A, I432-1-X3 Chain B
Authors:Bera, A.K, Li, Z, Baker, D.
Deposit date:2022-05-19
Release date:2023-11-01
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (5.53 Å)
Cite: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
Descriptor: F4132-1-0 chain A, F4132-1-0 chain B
Authors:Bera, A.K, Li, Z, Baker, D.
Deposit date:2022-05-17
Release date:2023-11-01
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.91 Å)
Cite: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
Descriptor: F4132-1 chain A, F4132-1 chain B
Authors:Bera, A.K, Li, Z, Baker, D.
Deposit date:2022-05-17
Release date:2023-11-01
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite: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
Descriptor: F4132-1-3 Chain A, F4132-1-3 Chain B
Authors:Bera, A.K, Li, Z, Baker, D.
Deposit date:2022-05-17
Release date:2023-11-01
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.55 Å)
Cite: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
Descriptor: F4132-2 Chain A, F4132-2 Chain B
Authors:Bera, A.K, Li, Z, Baker, D.
Deposit date:2022-05-19
Release date:2023-11-01
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (4.4 Å)
Cite: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
Descriptor: I432-1-CC
Authors:Bera, A.K, Li, Z, Baker, D.
Deposit date:2022-11-28
Release date:2023-11-01
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (3.66 Å)
Cite:Accurate computational design of three-dimensional protein crystals.
Nat Mater, 22, 2023
6E9R
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BU of 6e9r by Molmil
DHF46 filament
Descriptor: DHF46 filament
Authors:Lynch, E.M, Shen, H, Fallas, J.A, Kollman, J.M, Baker, D.
Deposit date:2018-08-01
Release date:2018-11-21
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (5.9 Å)
Cite:De novo design of self-assembling helical protein filaments.
Science, 362, 2018
6E9V
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BU of 6e9v by Molmil
DHF79 filament
Descriptor: DHF79 filament
Authors:Lynch, E.M, Shen, H, Fallas, J.A, Kollman, J.M, Baker, D.
Deposit date:2018-08-01
Release date:2018-11-21
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (6.9 Å)
Cite:De novo design of self-assembling helical protein filaments.
Science, 362, 2018

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