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7A5M
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BU of 7a5m by Molmil
ENAH EVH1 in complex with Ac-[2-Cl-F]-[ProM-2]-[ProM-17]-OMe
Descriptor: Ac-[2-Cl-F]-[ProM-2]-[ProM-17]-OMe, NITRATE ION, Protein enabled homolog
Authors:Barone, M, Roske, Y.
Deposit date:2020-08-21
Release date:2020-10-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (0.78 Å)
Cite:Designed nanomolar small-molecule inhibitors of Ena/VASP EVH1 interaction impair invasion and extravasation of breast cancer cells.
Proc.Natl.Acad.Sci.USA, 117, 2020
6I3R
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BU of 6i3r by Molmil
Structure, dynamics and roX2-lncRNA binding of tandem double-stranded RNA binding domains dsRBD1/2 of Drosophila helicase MLE
Descriptor: Dosage compensation regulator
Authors:Jagtap, P.K.A, Buelow, S.v, Masiewicz, P, Simon, B, Hennig, J.
Deposit date:2018-11-07
Release date:2019-02-20
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Structure, dynamics and roX2-lncRNA binding of tandem double-stranded RNA binding domains dsRBD1,2 of Drosophila helicase Maleless.
Nucleic Acids Res., 47, 2019
4TS6
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BU of 4ts6 by Molmil
Crystal structure of the RIM C2A domain from Drosophila.
Descriptor: GLYCEROL, Rab3 interacting molecule variant 2
Authors:Hatzopoulos, G.N, Shiroma, J, Vakonakis, I.
Deposit date:2014-06-18
Release date:2015-07-01
Last modified:2024-08-07
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:The human cognition-enhancing CORD7 mutation increases active zone number and synaptic release.
Brain, 145, 2022
6Y4D
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BU of 6y4d by Molmil
Crystal structure of a short-chain dehydrogenase/reductase (SDR) from Zephyranthes treatiae in complex with NADP+
Descriptor: GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, short-chain dehydrogenase/reductase (SDR)
Authors:Sautner, V, Steimle, S, Roth, S, Mueller, M, Tittmann, K.
Deposit date:2020-02-20
Release date:2020-04-29
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crossing the Border: From Keto- to Imine Reduction in Short-Chain Dehydrogenases/Reductases.
Chembiochem, 21, 2020
7GS3
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BU of 7gs3 by Molmil
Crystal structure of SARS-CoV-2 main protease in complex with cpd-26
Descriptor: (6-phenylpyridin-3-yl)methanamine, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, ...
Authors:Huang, C.-Y, Metz, A, Sharpe, M, Sweeney, A.
Deposit date:2023-11-14
Release date:2024-02-14
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Fragment-based screening targeting an open form of the SARS-CoV-2 main protease binding pocket.
Acta Crystallogr D Struct Biol, 80, 2024
7GRZ
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BU of 7grz by Molmil
Crystal structure of SARS-CoV-2 main protease in complex with cpd-22
Descriptor: 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, N,N-dimethyl-2-[(naphthalen-2-yl)oxy]acetamide, ...
Authors:Huang, C.-Y, Metz, A, Sharpe, M, Sweeney, A.
Deposit date:2023-11-14
Release date:2024-02-14
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Fragment-based screening targeting an open form of the SARS-CoV-2 main protease binding pocket.
Acta Crystallogr D Struct Biol, 80, 2024
7GS5
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BU of 7gs5 by Molmil
Crystal structure of SARS-CoV-2 main protease in complex with cpd-28
Descriptor: (3R)-5-fluoro-3-hydroxy-1,3-dihydro-2H-indol-2-one, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, ...
Authors:Huang, C.-Y, Metz, A, Sharpe, M, Sweeney, A.
Deposit date:2023-11-14
Release date:2024-02-14
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Fragment-based screening targeting an open form of the SARS-CoV-2 main protease binding pocket.
Acta Crystallogr D Struct Biol, 80, 2024
7GS2
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BU of 7gs2 by Molmil
Crystal structure of SARS-CoV-2 main protease in complex with cpd-25
Descriptor: 3-(pyridin-3-yl)benzoic acid, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, ...
Authors:Huang, C.-Y, Metz, A, Sharpe, M, Sweeney, A.
Deposit date:2023-11-14
Release date:2024-02-14
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Fragment-based screening targeting an open form of the SARS-CoV-2 main protease binding pocket.
Acta Crystallogr D Struct Biol, 80, 2024
7GRG
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BU of 7grg by Molmil
Crystal structure of SARS-CoV-2 main protease in complex with cpd-3
Descriptor: 3,5-dichloropyridin-4-amine, 3C-like proteinase nsp5, CHLORIDE ION, ...
Authors:Huang, C.-Y, Metz, A, Sharpe, M, Sweeney, A.
Deposit date:2023-11-14
Release date:2024-02-14
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Fragment-based screening targeting an open form of the SARS-CoV-2 main protease binding pocket.
Acta Crystallogr D Struct Biol, 80, 2024
7GS6
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BU of 7gs6 by Molmil
Crystal structure of SARS-CoV-2 main protease in complex with cpd-29
Descriptor: (3S)-4,7-dichloro-3-hydroxy-1,3-dihydro-2H-indol-2-one, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, ...
Authors:Huang, C.-Y, Metz, A, Sharpe, M, Sweeney, A.
Deposit date:2023-11-14
Release date:2024-02-14
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Fragment-based screening targeting an open form of the SARS-CoV-2 main protease binding pocket.
Acta Crystallogr D Struct Biol, 80, 2024
7GRH
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BU of 7grh by Molmil
Crystal structure of SARS-CoV-2 main protease in complex with cpd-4
Descriptor: 3C-like proteinase nsp5, 5-chloropyridin-3-ol, DIMETHYL SULFOXIDE, ...
Authors:Huang, C.-Y, Metz, A, Sharpe, M, Sweeney, A.
Deposit date:2023-11-14
Release date:2024-02-14
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Fragment-based screening targeting an open form of the SARS-CoV-2 main protease binding pocket.
Acta Crystallogr D Struct Biol, 80, 2024
7GRT
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BU of 7grt by Molmil
Crystal structure of SARS-CoV-2 main protease in complex with cpd-16
Descriptor: 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, N-[(2,3-dihydro-1-benzofuran-5-yl)methyl]benzamide, ...
Authors:Huang, C.-Y, Metz, A, Sharpe, M, Sweeney, A.
Deposit date:2023-11-14
Release date:2024-02-14
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Fragment-based screening targeting an open form of the SARS-CoV-2 main protease binding pocket.
Acta Crystallogr D Struct Biol, 80, 2024
7GRP
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BU of 7grp by Molmil
Crystal structure of SARS-CoV-2 main protease in complex with cpd-12
Descriptor: 1-(2,3-dihydro-1-benzofuran-5-yl)methanamine, 3C-like proteinase nsp5, CHLORIDE ION, ...
Authors:Huang, C.-Y, Metz, A, Sharpe, M, Sweeney, A.
Deposit date:2023-11-14
Release date:2024-02-14
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Fragment-based screening targeting an open form of the SARS-CoV-2 main protease binding pocket.
Acta Crystallogr D Struct Biol, 80, 2024
7GRR
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BU of 7grr by Molmil
Crystal structure of SARS-CoV-2 main protease in complex with cpd-14
Descriptor: 3C-like proteinase nsp5, 5-(3-cyclohexylprop-1-yn-1-yl)pyridine-3-carboxylic acid, DIMETHYL SULFOXIDE, ...
Authors:Huang, C.-Y, Metz, A, Sharpe, M, Sweeney, A.
Deposit date:2023-11-14
Release date:2024-02-14
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Fragment-based screening targeting an open form of the SARS-CoV-2 main protease binding pocket.
Acta Crystallogr D Struct Biol, 80, 2024
7GRY
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BU of 7gry by Molmil
Crystal structure of SARS-CoV-2 main protease in complex with cpd-21
Descriptor: 1-(3,5-dichlorophenyl)pyrrolidine-2,5-dione, 3C-like proteinase nsp5, CHLORIDE ION, ...
Authors:Huang, C.-Y, Metz, A, Sharpe, M, Sweeney, A.
Deposit date:2023-11-14
Release date:2024-02-14
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Fragment-based screening targeting an open form of the SARS-CoV-2 main protease binding pocket.
Acta Crystallogr D Struct Biol, 80, 2024
7GRK
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BU of 7grk by Molmil
Crystal structure of SARS-CoV-2 main protease in complex with cpd-7
Descriptor: (6-fluoro-2H,4H-1,3-benzodioxin-8-yl)methanol, 3C-like proteinase nsp5, CHLORIDE ION, ...
Authors:Huang, C.-Y, Metz, A, Sharpe, M, Sweeney, A.
Deposit date:2023-11-14
Release date:2024-02-14
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Fragment-based screening targeting an open form of the SARS-CoV-2 main protease binding pocket.
Acta Crystallogr D Struct Biol, 80, 2024
7GRI
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BU of 7gri by Molmil
Crystal structure of SARS-CoV-2 main protease in complex with cpd-5
Descriptor: (1S)-1-(1H-pyrazol-5-yl)ethan-1-ol, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, ...
Authors:Huang, C.-Y, Metz, A, Sharpe, M, Sweeney, A.
Deposit date:2023-11-14
Release date:2024-02-14
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Fragment-based screening targeting an open form of the SARS-CoV-2 main protease binding pocket.
Acta Crystallogr D Struct Biol, 80, 2024
7GS4
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BU of 7gs4 by Molmil
Crystal structure of SARS-CoV-2 main protease in complex with cpd-27
Descriptor: 3C-like proteinase nsp5, 7-(hydroxymethyl)-3-methyl-6~{H}-[1,3]thiazolo[3,2-a]pyrimidin-5-one, CHLORIDE ION, ...
Authors:Huang, C.-Y, Metz, A, Sharpe, M, Sweeney, A.
Deposit date:2023-11-14
Release date:2024-02-14
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Fragment-based screening targeting an open form of the SARS-CoV-2 main protease binding pocket.
Acta Crystallogr D Struct Biol, 80, 2024
7GRL
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BU of 7grl by Molmil
Crystal structure of SARS-CoV-2 main protease in complex with cpd-8
Descriptor: 3C-like proteinase nsp5, 4-(4,5-dibromo-2H-1,2,3-triazol-2-yl)butan-2-one, CHLORIDE ION, ...
Authors:Huang, C.-Y, Metz, A, Sharpe, M, Sweeney, A.
Deposit date:2023-11-14
Release date:2024-02-14
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Fragment-based screening targeting an open form of the SARS-CoV-2 main protease binding pocket.
Acta Crystallogr D Struct Biol, 80, 2024
7GRE
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BU of 7gre by Molmil
Crystal structure of SARS-CoV-2 main protease in complex with cpd-1
Descriptor: 3C-like proteinase nsp5, 4-[3-(trifluoromethyl)-1H-pyrazol-5-yl]pyridine, CHLORIDE ION, ...
Authors:Huang, C.-Y, Metz, A, Sharpe, M, Sweeney, A.M.
Deposit date:2023-11-14
Release date:2024-02-14
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Fragment-based screening targeting an open form of the SARS-CoV-2 main protease binding pocket.
Acta Crystallogr D Struct Biol, 80, 2024
7GRO
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BU of 7gro by Molmil
Crystal structure of SARS-CoV-2 main protease in complex with cpd-11
Descriptor: 3C-like proteinase nsp5, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Huang, C.-Y, Metz, A, Sharpe, M, Sweeney, A.
Deposit date:2023-11-14
Release date:2024-02-14
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Fragment-based screening targeting an open form of the SARS-CoV-2 main protease binding pocket.
Acta Crystallogr D Struct Biol, 80, 2024
7GRM
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BU of 7grm by Molmil
Crystal structure of SARS-CoV-2 main protease in complex with cpd-9
Descriptor: 3C-like proteinase nsp5, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Huang, C.-Y, Metz, A, Sharpe, M, Sweeney, A.
Deposit date:2023-11-14
Release date:2024-02-14
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Fragment-based screening targeting an open form of the SARS-CoV-2 main protease binding pocket.
Acta Crystallogr D Struct Biol, 80, 2024
7GRQ
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BU of 7grq by Molmil
Crystal structure of SARS-CoV-2 main protease in complex with cpd-13
Descriptor: 3C-like proteinase nsp5, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Huang, C.-Y, Metz, A, Sharpe, M, Sweeney, A.
Deposit date:2023-11-14
Release date:2024-02-14
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Fragment-based screening targeting an open form of the SARS-CoV-2 main protease binding pocket.
Acta Crystallogr D Struct Biol, 80, 2024
7GRV
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BU of 7grv by Molmil
Crystal structure of SARS-CoV-2 main protease in complex with cpd-18
Descriptor: (2S)-2-(2-fluorophenyl)-1,3-thiazolidin-4-one, 3C-like proteinase nsp5, CHLORIDE ION, ...
Authors:Huang, C.-Y, Metz, A, Sharpe, M, Sweeney, A.
Deposit date:2023-11-14
Release date:2024-02-14
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Fragment-based screening targeting an open form of the SARS-CoV-2 main protease binding pocket.
Acta Crystallogr D Struct Biol, 80, 2024
7GRN
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BU of 7grn by Molmil
Crystal structure of SARS-CoV-2 main protease in complex with cpd-10
Descriptor: 2-[(3S)-pyrrolidin-3-yl]-5-(trifluoromethyl)-1H-benzimidazole, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, ...
Authors:Huang, C.-Y, Metz, A, Sharpe, M, Sweeney, A.
Deposit date:2023-11-14
Release date:2024-02-14
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Fragment-based screening targeting an open form of the SARS-CoV-2 main protease binding pocket.
Acta Crystallogr D Struct Biol, 80, 2024

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PDB entries from 2024-08-07

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