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6UM6
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BU of 6um6 by Molmil
Cryo-EM structure of HIV-1 neutralizing antibody DH270.6 in complex with CH848 10.17DT Env
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Acharya, P, Henderson, R.C, Saunder, K.O, Haynes, B.F.
Deposit date:2019-10-09
Release date:2019-12-18
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:Targeted selection of HIV-specific antibody mutations by engineering B cell maturation.
Science, 366, 2019
6UM7
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BU of 6um7 by Molmil
Cryo-EM structure of vaccine-elicited HIV-1 neutralizing antibody DH270.mu1 in complex with CH848 10.17DT Env
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, DH270.mu1 Fab Heavy Chain, DH270.mu1 Fab Light chain, ...
Authors:Acharya, P, Henderson, R.C, Saunders, K, Haynes, B.F.
Deposit date:2019-10-09
Release date:2019-12-18
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Targeted selection of HIV-specific antibody mutations by engineering B cell maturation.
Science, 366, 2019
5T7L
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BU of 5t7l by Molmil
Pt(II)-mediated copper-dependent interactions between ATOX1 and MNK1
Descriptor: COPPER (II) ION, Copper transport protein ATOX1, Copper-transporting ATPase 1, ...
Authors:Caliandro, R, Mirabelli, V, Caliandro, R, Rosato, A, Lasorsa, A, Galliani, A, Arnesano, F, Natile, G.
Deposit date:2016-09-05
Release date:2016-10-12
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.83 Å)
Cite:Mechanistic and Structural Basis for Inhibition of Copper Trafficking by Platinum Anticancer Drugs.
J.Am.Chem.Soc., 141, 2019
6Q2V
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BU of 6q2v by Molmil
Crystal structure of SPOC domain of human PHD-finger protein 3 (PHF3)
Descriptor: GLYCEROL, PHD finger protein 3
Authors:Grishkovskaya, I, Slade, D, Djinovic-Carugo, K.
Deposit date:2018-12-03
Release date:2020-07-15
Last modified:2021-10-27
Method:X-RAY DIFFRACTION (2.594 Å)
Cite:PHF3 regulates neuronal gene expression through the Pol II CTD reader domain SPOC
Nat Commun, 12, 2021
6Q5Y
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BU of 6q5y by Molmil
Crystal structure of the SPOC domain of human PHF3 in complex with RNA polymerase II CTD diheptapeptide phosphorylated on Ser2Ser5
Descriptor: PHD finger protein 3, pSer2pSer5
Authors:Grishkovskaya, I, Djinovic-Carugo, K, Slade, D.
Deposit date:2018-12-09
Release date:2020-07-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:PHF3 regulates neuronal gene expression through the Pol II CTD reader domain SPOC
Nat Commun, 12, 2021
6IC9
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BU of 6ic9 by Molmil
Crystal structure of the SPOC domain of human PHF3 in complex with RNA polymerase II CTD diheptapeptide phosphorylated on Ser2Ser7
Descriptor: PHD finger protein 3, TYR-SEP-PRO-THR-SER-PRO-SEP-TYR-SEP-PRO-THR-SER-PRO
Authors:Grishkovskaya, I, Djinovic-Carugo, K, Slade, D.
Deposit date:2018-12-03
Release date:2020-07-15
Last modified:2021-10-27
Method:X-RAY DIFFRACTION (1.748 Å)
Cite:PHF3 regulates neuronal gene expression through the Pol II CTD reader domain SPOC
Nat Commun, 12, 2021
6IC8
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BU of 6ic8 by Molmil
Crystal structure of the SPOC domain of human PHF3 in complex with RNA polymerase II CTD diheptapeptide phosphorylated on Ser2
Descriptor: PHD finger protein 3, TYR-SEP-PRO-THR-SER-PRO-SER-TYR-SEP-PRO-THR
Authors:Grishkovskaya, I, Djinovic-Carugo, K, Slade, D.
Deposit date:2018-12-02
Release date:2020-07-15
Last modified:2021-10-27
Method:X-RAY DIFFRACTION (1.929 Å)
Cite:PHF3 regulates neuronal gene expression through the Pol II CTD reader domain SPOC
Nat Commun, 12, 2021
1QB1
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BU of 1qb1 by Molmil
Bovine Trypsin with 1-[2-[5-[amino(imino)methyl]-2-hydroxyphenoxy]-6-[3-(4,5-dihydro-1-methyl-1H-imidazol-2-yl)phenoxy]pyridin-4-yl]piperidine-3-carboxylic Acid (ZK-806974)
Descriptor: 1-[2-[5-[AMINO(IMINO)METHYL]-2-HYDROXYPHENOXY]-6-[3-(4,5-DIHYDRO-1-METHYL-1H-IMIDAZOL-2-YL)PHENOXY] PYRIDIN-4-YL]PIPERIDINE-3-CARBOXYLIC ACID, CALCIUM ION, PROTEIN (TRYPSIN)
Authors:Whitlow, M.
Deposit date:1999-04-28
Release date:2000-04-29
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystallographic analysis of potent and selective factor Xa inhibitors complexed to bovine trypsin.
Acta Crystallogr.,Sect.D, 55, 1999
7ZVP
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BU of 7zvp by Molmil
Crystal structure of poplar glutathione transferase U19 in complex with glutathione
Descriptor: ACETATE ION, Glutathione transferase, S-Hydroxy-Glutathione
Authors:Didierjean, C, Favier, F.
Deposit date:2022-05-16
Release date:2022-07-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Biochemical and Structural Insights on the Poplar Tau Glutathione Transferase GSTU19 and 20 Paralogs Binding Flavonoids.
Front Mol Biosci, 9, 2022
7ZZN
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BU of 7zzn by Molmil
Crystal structure of poplar glutathione transferase U20
Descriptor: CALCIUM ION, Glutathione transferase
Authors:Didierjean, C, Favier, F.
Deposit date:2022-05-25
Release date:2022-07-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Biochemical and Structural Insights on the Poplar Tau Glutathione Transferase GSTU19 and 20 Paralogs Binding Flavonoids.
Front Mol Biosci, 9, 2022
8A0I
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BU of 8a0i by Molmil
Crystal structure of poplar glutathione transferase U20 in complex with glutathionylphenylacetophenone
Descriptor: Glutathione transferase, L-gamma-glutamyl-S-(2-biphenyl-4-yl-2-oxoethyl)-L-cysteinylglycine
Authors:Didierjean, C, Favier, F.
Deposit date:2022-05-27
Release date:2022-07-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.624 Å)
Cite:Biochemical and Structural Insights on the Poplar Tau Glutathione Transferase GSTU19 and 20 Paralogs Binding Flavonoids.
Front Mol Biosci, 9, 2022
8A08
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BU of 8a08 by Molmil
Crystal structure of poplar glutathione transferase U20 in complex with glutathione
Descriptor: GLUTATHIONE, Glutathione transferase
Authors:Didierjean, C, Favier, F.
Deposit date:2022-05-27
Release date:2022-07-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.645 Å)
Cite:Biochemical and Structural Insights on the Poplar Tau Glutathione Transferase GSTU19 and 20 Paralogs Binding Flavonoids.
Front Mol Biosci, 9, 2022
8A0O
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BU of 8a0o by Molmil
Crystal structure of poplar glutathione transferase U20 in complex with galangin
Descriptor: CHLORIDE ION, Glutathione transferase, galangin
Authors:Didierjean, C, Favier, F.
Deposit date:2022-05-29
Release date:2022-07-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.837 Å)
Cite:Biochemical and Structural Insights on the Poplar Tau Glutathione Transferase GSTU19 and 20 Paralogs Binding Flavonoids.
Front Mol Biosci, 9, 2022
8A0R
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BU of 8a0r by Molmil
Crystal structure of poplar glutathione transferase U20 in complex with pinocembrin
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, Glutathione transferase, ...
Authors:Didierjean, C, Favier, F.
Deposit date:2022-05-30
Release date:2022-07-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Biochemical and Structural Insights on the Poplar Tau Glutathione Transferase GSTU19 and 20 Paralogs Binding Flavonoids.
Front Mol Biosci, 9, 2022
8A0Q
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BU of 8a0q by Molmil
Crystal structure of poplar glutathione transferase U20 in complex with baicalein
Descriptor: 5,6,7-trihydroxy-2-phenyl-4H-chromen-4-one, CHLORIDE ION, Glutathione transferase
Authors:Didierjean, C, Favier, F.
Deposit date:2022-05-30
Release date:2022-07-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.048 Å)
Cite:Biochemical and Structural Insights on the Poplar Tau Glutathione Transferase GSTU19 and 20 Paralogs Binding Flavonoids.
Front Mol Biosci, 9, 2022
8A0P
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BU of 8a0p by Molmil
Crystal structure of poplar glutathione transferase U20 in complex with morin
Descriptor: 2-[2,4-bis(oxidanyl)phenyl]-3,5,7-tris(oxidanyl)chromen-4-one, CHLORIDE ION, Glutathione transferase
Authors:Didierjean, C, Favier, F.
Deposit date:2022-05-30
Release date:2022-07-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.686 Å)
Cite:Biochemical and Structural Insights on the Poplar Tau Glutathione Transferase GSTU19 and 20 Paralogs Binding Flavonoids.
Front Mol Biosci, 9, 2022
7ZS3
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BU of 7zs3 by Molmil
Crystal structure of poplar glutathione transferase U19
Descriptor: ACETATE ION, Glutathione transferase
Authors:Didierjean, C, Favier, F.
Deposit date:2022-05-06
Release date:2022-07-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.603 Å)
Cite:Biochemical and Structural Insights on the Poplar Tau Glutathione Transferase GSTU19 and 20 Paralogs Binding Flavonoids.
Front Mol Biosci, 9, 2022
5LL9
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BU of 5ll9 by Molmil
Crystal structure of human carbonic anhydrase isozyme XII with 4-(1H-benzimidazol-1-ylacetyl)-2-chlorobenzenesulfonamide
Descriptor: 1,2-ETHANEDIOL, 4-[2-(benzimidazol-1-yl)ethanoyl]-2-chloranyl-benzenesulfonamide, Carbonic anhydrase 12, ...
Authors:Smirnov, A, Manakova, E, Grazulis, S.
Deposit date:2016-07-27
Release date:2017-08-16
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Combinatorial Design of Isoform-Selective N-Alkylated Benzimidazole-Based Inhibitors of Carbonic Anhydrases
Chemistryselect, 2017
5LLA
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BU of 5lla by Molmil
Crystal structure of human carbonic anhydrase isozyme XIII with 4-(1H-benzimidazol-1-ylacetyl)-2-chlorobenzenesulfonamide
Descriptor: 1,2-ETHANEDIOL, 4-[2-(benzimidazol-1-yl)ethanoyl]-2-chloranyl-benzenesulfonamide, CITRIC ACID, ...
Authors:Smirnov, A, Manakova, E, Grazulis, S.
Deposit date:2016-07-27
Release date:2017-08-16
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Combinatorial Design of Isoform-Selective N-Alkylated Benzimidazole-Based Inhibitors of Carbonic Anhydrases
Chemistryselect, 2017
5LL5
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BU of 5ll5 by Molmil
Crystal structure of human carbonic anhydrase isozyme XII with 4-(1H-benzimidazol-1-ylacetyl)benzenesulfonamide
Descriptor: 1,2-ETHANEDIOL, 4-[2-(benzimidazol-1-yl)ethanoyl]benzenesulfonamide, Carbonic anhydrase 12, ...
Authors:Smirnov, A, Manakova, E, Grazulis, S.
Deposit date:2016-07-26
Release date:2017-08-16
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Combinatorial Design of Isoform-Selective N-Alkylated Benzimidazole-Based Inhibitors of Carbonic Anhydrases
Chemistryselect, 2017
7Q5F
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BU of 7q5f by Molmil
Crystal structure of F2F-2020216-01X bound to the main protease (3CLpro/Mpro) of SARS-CoV-2.
Descriptor: (S)-1-(2-(2,4-dichlorophenoxy)acetyl)-N-((S)-3,4-dioxo-1-((S)-2-oxopyrrolidin-3-yl)-4-(phenethylamino)butan-2-yl)pyrrolidine-2-carboxamide, 1,2-ETHANEDIOL, 3C-like proteinase, ...
Authors:Costanzi, E, Demitri, N, Storici, P.
Deposit date:2021-11-03
Release date:2022-11-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Easy access to alpha-ketoamides as SARS-CoV-2 and MERS M pro inhibitors via the PADAM oxidation route.
Eur.J.Med.Chem., 244, 2022
7Q5E
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BU of 7q5e by Molmil
Crystal structure of F2F-2020209-00X bound to the main protease (3CLpro/Mpro) of SARS-CoV-2.
Descriptor: 3C-like proteinase, CHLORIDE ION, SODIUM ION, ...
Authors:Costanzi, E, Demitri, N, Storici, P.
Deposit date:2021-11-03
Release date:2022-11-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Easy access to alpha-ketoamides as SARS-CoV-2 and MERS M pro inhibitors via the PADAM oxidation route.
Eur.J.Med.Chem., 244, 2022
7QDW
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BU of 7qdw by Molmil
Solution structure of the complex between plasmodial ZNHIT3 and NUFIP1 proteins
Descriptor: NUFIP1 domain-containing protein, Zinc finger protein, putative
Authors:Chagot, M.E, Quinternet, M.
Deposit date:2021-11-30
Release date:2022-03-30
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Structural Analysis of the Plasmodial Proteins ZNHIT3 and NUFIP1 Provides Insights into the Selectivity of a Conserved Interaction.
Biochemistry, 61, 2022
7OND
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BU of 7ond by Molmil
HaloTag Engineering for Enhanced Fluorogenicity and Kinetics with a Styrylpyridine Dye
Descriptor: 4-[(E)-2-[1-(7-chloranylheptyl)pyridin-1-ium-4-yl]ethenyl]-N,N-dimethyl-aniline, CHLORIDE ION, Haloalkane dehalogenase, ...
Authors:Stein, A, Liang, A.D.
Deposit date:2021-05-25
Release date:2021-07-21
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:HaloTag Engineering for Enhanced Fluorogenicity and Kinetics with a Styrylpyridium Dye.
Chembiochem, 22, 2021
7OO4
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BU of 7oo4 by Molmil
HaloTag Engineering for Enhanced Fluorogenicity and Kinetics with a Styrylpyridine Dye
Descriptor: 4-[(E)-2-[1-(7-chloranylheptyl)pyridin-1-ium-4-yl]ethenyl]-N,N-dimethyl-aniline, CHLORIDE ION, Haloalkane dehalogenase
Authors:Stein, A, Liang, A.D.
Deposit date:2021-05-26
Release date:2021-07-21
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:HaloTag Engineering for Enhanced Fluorogenicity and Kinetics with a Styrylpyridium Dye.
Chembiochem, 22, 2021

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