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7PRP
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BU of 7prp by Molmil
Crystal Structure of the B subunit of heat labile enterotoxin LT-IIc from Escherichia coli in apo form
Descriptor: FORMIC ACID, Heat-labile enterotoxin IIA, B chain, ...
Authors:Varrot, A.
Deposit date:2021-09-22
Release date:2021-12-08
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Characterization of the ganglioside recognition profile of Escherichia coli heat-labile enterotoxin LT-IIc.
Glycobiology, 32, 2022
6U06
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BU of 6u06 by Molmil
Discovery of Lysine-Targeted eIF4E Inhibitors through Covalent Docking
Descriptor: 3-{[(4-cyanophenyl)methyl](1-oxo-1,2-dihydroisoquinolin-7-yl)sulfamoyl}benzene-1-sulfonyl fluoride, Eukaryotic translation initiation factor 4E
Authors:Wan, X.B, Shoichet, B.K, Taunton, J.
Deposit date:2019-08-13
Release date:2019-10-16
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Discovery of Lysine-Targeted eIF4E Inhibitors through Covalent Docking.
J.Am.Chem.Soc., 142, 2020
1AGK
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BU of 1agk by Molmil
THE SOLUTION NMR STRUCTURE OF AN (R)-A-(N6-ADENYL)-STYRENE OXIDE-RAS61 OLIGODEOXYNUCLEOTIDE MODIFIED AT THE SECOND POSITION OF THE CODON 61 REGION, MINIMIZED AVERAGE STRUCTURE
Descriptor: DNA (5'-D(*CP*GP*GP*AP*CP*RP*AP*GP*AP*AP*G)-3'), DNA (5'-D(*CP*TP*TP*CP*TP*TP*GP*TP*CP*CP*G)-3')
Authors:Feng, B, Stone, M.P.
Deposit date:1997-03-25
Release date:1997-08-20
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Major groove (R)-alpha-(N6-adenyl)styrene oxide adducts in an oligodeoxynucleotide containing the human N-ras codon 61 sequence: conformations of the R(61,2) and R(61,3) sequence isomers from 1H NMR.
Biochemistry, 34, 1995
5ZWO
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BU of 5zwo by Molmil
Cryo-EM structure of the yeast B complex at average resolution of 3.9 angstrom
Descriptor: 13 kDa ribonucleoprotein-associated protein, 23 kDa U4/U6.U5 small nuclear ribonucleoprotein component, 66 kDa U4/U6.U5 small nuclear ribonucleoprotein component, ...
Authors:Bai, R, Wan, R, Yan, C, Shi, Y.
Deposit date:2018-05-16
Release date:2018-08-29
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Structures of the fully assembledSaccharomyces cerevisiaespliceosome before activation
Science, 360, 2018
1AGO
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BU of 1ago by Molmil
THE SOLUTION NMR STRUCTURE OF AN (S)-A-(N6-ADENYL)-STYRENE OXIDE-RAS61 OLIGODEOXYNUCLEOTIDE MODIFIED AT THE THIRD POSITION OF THE CODON 61 REGION, MINIMIZED AVERAGE STRUCTURE
Descriptor: DNA (5'-D(*CP*GP*GP*AP*CP*AP*YP*GP*AP*AP*G)-3'), DNA (5'-D(*CP*TP*TP*CP*TP*TP*GP*TP*CP*CP*G)-3')
Authors:Feng, B, Stone, M.P.
Deposit date:1997-03-25
Release date:1997-08-20
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Major groove (S)-alpha-(N6-adenyl)styrene oxide adducts in an oligodeoxynucleotide containing the human N-ras codon 61 sequence: conformations of the S(61,2) and S(61,3) sequence isomers from 1H NMR.
Biochemistry, 35, 1996
6RJ5
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BU of 6rj5 by Molmil
Crystal structure of PHGDH in complex with compound 39
Descriptor: 2-methyl-~{N}-[(1~{R})-1-[4-(methylsulfonylcarbamoyl)phenyl]ethyl]-5-phenyl-pyrazole-3-carboxamide, D-3-phosphoglycerate dehydrogenase, SULFATE ION
Authors:Bader, G, Wolkerstorfer, B, Zoephel, A.
Deposit date:2019-04-26
Release date:2019-08-07
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Intracellular Trapping of the Selective Phosphoglycerate Dehydrogenase (PHGDH) InhibitorBI-4924Disrupts Serine Biosynthesis.
J.Med.Chem., 62, 2019
6RL0
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BU of 6rl0 by Molmil
Recombinant Pseudomonas stutzeri nitrous oxide reductase, form I
Descriptor: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, CHLORIDE ION, ...
Authors:Zhang, L, Wuest, A, Prasser, B, Mueller, C, Einsle, O.
Deposit date:2019-04-30
Release date:2019-06-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Functional assembly of nitrous oxide reductase provides insights into copper site maturation.
Proc.Natl.Acad.Sci.USA, 116, 2019
5HML
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BU of 5hml by Molmil
Crystal Structure of T5 D15 Protein Co-crystallized with Metal Ions
Descriptor: 1,2-ETHANEDIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ...
Authors:Flemming, C.S, Feng, M, Sedelnikova, S.E, Zhang, J, Rafferty, J.B, Sayers, J.R, Artymiuk, P.J.
Deposit date:2016-01-16
Release date:2016-06-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.482 Å)
Cite:Direct observation of DNA threading in flap endonuclease complexes.
Nat.Struct.Mol.Biol., 23, 2016
5KDW
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BU of 5kdw by Molmil
IMPa metallopeptidase from Pseudomonas aeruginosa
Descriptor: 1,2-ETHANEDIOL, Metallopeptidase, PHOSPHATE ION, ...
Authors:Noach, I, Boraston, A.B.
Deposit date:2016-06-08
Release date:2017-01-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Recognition of protein-linked glycans as a determinant of peptidase activity.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
6OXJ
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BU of 6oxj by Molmil
X-ray crystal structure of Y140F FtmOx1 bound to Fe(II)
Descriptor: FE (II) ION, Verruculogen synthase
Authors:Dunham, N.P, Boal, A.K.
Deposit date:2019-05-13
Release date:2019-07-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Hydrogen Donation but not Abstraction by a Tyrosine (Y68) during Endoperoxide Installation by Verruculogen Synthase (FtmOx1).
J.Am.Chem.Soc., 141, 2019
7SLC
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BU of 7slc by Molmil
[T:Ag+:T--pH 9] Metal-mediated DNA base pair in tensegrity triangle
Descriptor: DNA (5'-D(*GP*AP*GP*CP*AP*GP*CP*CP*TP*GP*TP*TP*TP*GP*GP*AP*CP*AP*TP*CP*A)-3'), DNA (5'-D(P*CP*CP*AP*TP*AP*CP*A)-3'), DNA (5'-D(P*CP*TP*GP*AP*TP*GP*T)-3'), ...
Authors:Lu, B, Vecchioni, S, Seeman, N.C, Sha, R, Ohayon, Y.P.
Deposit date:2021-10-24
Release date:2022-10-26
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (4.02 Å)
Cite:Heterobimetallic Base Pair Programming in Designer 3D DNA Crystals.
J.Am.Chem.Soc., 145, 2023
7SLM
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BU of 7slm by Molmil
[U:Ag+:U--pH 10] Metal-mediated DNA base pair in tensegrity triangle
Descriptor: DNA (5'-D(*GP*AP*GP*CP*AP*GP*CP*CP*TP*GP*TP*UP*TP*GP*GP*AP*CP*AP*TP*CP*A)-3'), DNA (5'-D(P*CP*CP*AP*UP*AP*CP*A)-3'), DNA (5'-D(P*CP*TP*GP*AP*TP*GP*T)-3'), ...
Authors:Lu, B, Vecchioni, S, Seeman, N.C, Sha, R, Ohayon, Y.P.
Deposit date:2021-10-24
Release date:2022-10-26
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (4.3 Å)
Cite:Heterobimetallic Base Pair Programming in Designer 3D DNA Crystals.
J.Am.Chem.Soc., 145, 2023
7SLO
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BU of 7slo by Molmil
[U:Ag+:U--pH 11] Metal-mediated DNA base pair in tensegrity triangle
Descriptor: DNA (5'-D(*GP*AP*GP*CP*AP*GP*CP*CP*TP*GP*TP*UP*TP*GP*GP*AP*CP*AP*TP*CP*A)-3'), DNA (5'-D(P*CP*CP*AP*UP*AP*CP*A)-3'), DNA (5'-D(P*CP*TP*GP*AP*TP*GP*T)-3'), ...
Authors:Lu, B, Vecchioni, S, Seeman, N.C, Sha, R, Ohayon, Y.P.
Deposit date:2021-10-24
Release date:2022-10-26
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (4.12 Å)
Cite:Heterobimetallic Base Pair Programming in Designer 3D DNA Crystals.
J.Am.Chem.Soc., 145, 2023
7NL6
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BU of 7nl6 by Molmil
Crystal Structure of DC-SIGN in complex with a triazole-based glycomimetic ligand
Descriptor: CALCIUM ION, DC-SIGN, CRD domain, ...
Authors:Jakob, R.P, Cramer, J, Lakkaichi, A, Aliu, B, Cattaneo, I, Klein, S, Jiang, X, Rabbani, S, Schwardt, O, Ernst, B, Maier, T.
Deposit date:2021-02-22
Release date:2021-10-27
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Sweet Drugs for Bad Bugs: A Glycomimetic Strategy against the DC-SIGN-Mediated Dissemination of SARS-CoV-2.
J.Am.Chem.Soc., 143, 2021
7NL7
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BU of 7nl7 by Molmil
Crystal Structure of DC-SIGN in complex with a triazole-based glycomimetic ligand
Descriptor: 3-Aminopropyl 2-deoxy-2-(4-phenyl-1,2,3-triazol-1-yl)-alpha-D-mannopyranoside, CALCIUM ION, DC-SIGN, ...
Authors:Jakob, R.P, Cramer, J, Lakkaichi, A, Aliu, B, Cattaneo, I, Klein, S, Jiang, X, Rabbani, S, Schwardt, O, Ernst, B, Maier, T.
Deposit date:2021-02-22
Release date:2021-10-27
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Sweet Drugs for Bad Bugs: A Glycomimetic Strategy against the DC-SIGN-Mediated Dissemination of SARS-CoV-2.
J.Am.Chem.Soc., 143, 2021
5ZWM
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BU of 5zwm by Molmil
Cryo-EM structure of the yeast pre-B complex at an average resolution of 3.4~4.6 angstrom (tri-snRNP and U2 snRNP Part)
Descriptor: 13 kDa ribonucleoprotein-associated protein, 66 kDa U4/U6.U5 small nuclear ribonucleoprotein component, Cold sensitive U2 snRNA suppressor 1, ...
Authors:Bai, R, Wan, R, Yan, C, Lei, J, Shi, Y.
Deposit date:2018-05-16
Release date:2018-08-29
Last modified:2019-11-06
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structures of the fully assembledSaccharomyces cerevisiaespliceosome before activation
Science, 360, 2018
7SLK
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BU of 7slk by Molmil
[U:Ag+:U--pH 9] Metal-mediated DNA base pair in tensegrity triangle
Descriptor: DNA (5'-D(*GP*AP*GP*CP*AP*GP*CP*CP*TP*GP*TP*UP*TP*GP*GP*AP*CP*AP*TP*CP*A)-3'), DNA (5'-D(P*CP*CP*AP*UP*AP*CP*A)-3'), DNA (5'-D(P*CP*TP*GP*AP*TP*GP*T)-3'), ...
Authors:Lu, B, Vecchioni, S, Seeman, N.C, Sha, R, Ohayon, Y.P.
Deposit date:2021-10-24
Release date:2022-10-26
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (4.01 Å)
Cite:Heterobimetallic Base Pair Programming in Designer 3D DNA Crystals.
J.Am.Chem.Soc., 145, 2023
6RSK
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BU of 6rsk by Molmil
Cytochrome c co-crystallized with 20 eq. sulfonato-calix[8]arene and 15 eq. spermine - structure II
Descriptor: Cytochrome c iso-1, HEME C, SPERMINE, ...
Authors:Engilberge, S, Crowley, P.B.
Deposit date:2019-05-21
Release date:2019-09-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Tuning Protein Frameworks via Auxiliary Supramolecular Interactions.
Acs Nano, 13, 2019
8EJ7
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BU of 8ej7 by Molmil
Polymorphism in SARS-CoV-2 Nsp5 main protease reveals differences in cleavage of viral and host substrates
Descriptor: 3C-like proteinase nsp5
Authors:Lu, J, Khan, M.B, Young, H.S, Lemieux, M.J.
Deposit date:2022-09-16
Release date:2023-05-03
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:SARS-CoV-2 M pro Protease Variants of Concern Display Altered Viral Substrate and Cell Host Target Galectin-8 Processing but Retain Sensitivity toward Antivirals.
Acs Cent.Sci., 9, 2023
7PR5
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BU of 7pr5 by Molmil
Cocrystal of an RSL-N23H and sulfonato-thiacalix[4]arene - zinc complex
Descriptor: Fucose-binding lectin protein, GLYCEROL, ZINC ION, ...
Authors:Flood, R.J, Ramberg, K, Guagnini, F, Crowley, P.B.
Deposit date:2021-09-20
Release date:2022-03-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Protein Frameworks with Thiacalixarene and Zinc.
Cryst.Growth Des., 22, 2022
7S08
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BU of 7s08 by Molmil
Crystal structure of Epstein-Barr virus gH/gL targeting antibody 770F7
Descriptor: 770F7 Fab Heavy chain, 770F7 Fab Light chain, GLYCEROL
Authors:Chen, W.-H, Joyce, M.G.
Deposit date:2021-08-30
Release date:2022-11-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Epstein-Barr virus gH/gL has multiple sites of vulnerability for virus neutralization and fusion inhibition.
Immunity, 55, 2022
7PUK
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BU of 7puk by Molmil
Crystal structure of Endoglycosidase E GH18 domain from Enterococcus faecalis in complex with Man5 product
Descriptor: Beta-N-acetylhexosaminidase, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Garcia-Alija, M, Du, J.J, Trastoy, B, Sundberg, E.J, Guerin, M.
Deposit date:2021-09-30
Release date:2022-03-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Mechanism of cooperative N-glycan processing by the multi-modular endoglycosidase EndoE.
Nat Commun, 13, 2022
6ODA
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BU of 6oda by Molmil
Crystal structure of HDAC8 in complex with compound 2
Descriptor: Histone deacetylase 8, N-{2-[3-(hydroxyamino)-3-oxopropyl]phenyl}-3-(trifluoromethyl)benzamide, POTASSIUM ION, ...
Authors:Zheng, X, Conti, C, Caravella, J, Zablocki, M.-M, Bair, K, Barczak, N, Han, B, Lancia Jr, D, Liu, C, Martin, M, Ng, P.Y, Rudnitskaya, A, Thomason, J.J, Garcia-Dancey, R, Hardy, C, Lahdenranta, J, Leng, C, Li, P, Pardo, E, Saldahna, A, Tan, T, Toms, A.V, Yao, L, Zhang, C.
Deposit date:2019-03-26
Release date:2020-04-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.88 Å)
Cite:Structure-based Discovery of Novel N-(E)-N-Hydroxy-3-(2-(2-oxoimidazolidin-1-yl)phenyl)acrylamides as Potent and Selective HDAC8 inhibitors
To Be Published
1AGZ
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BU of 1agz by Molmil
THE SOLUTION NMR STRUCTURE OF AN (R)-A-(N6-ADENYL)-STYRENE OXIDE-RAS61 OLIGODEOXYNUCLEOTIDE MODIFIED AT THE THIRD POSITION OF THE CODON 61 REGION, MINIMIZED AVERAGE STRUCTURE
Descriptor: DNA (5'-D(*CP*GP*GP*AP*CP*AP*RP*GP*AP*AP*G)-3'), DNA (5'-D(*CP*TP*TP*CP*TP*TP*GP*TP*CP*CP*G)-3')
Authors:Feng, B, Stone, M.P.
Deposit date:1997-03-26
Release date:1997-08-20
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Major groove (R)-alpha-(N6-adenyl)styrene oxide adducts in an oligodeoxynucleotide containing the human N-ras codon 61 sequence: conformations of the R(61,2) and R(61,3) sequence isomers from 1H NMR.
Biochemistry, 34, 1995
6RIH
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BU of 6rih by Molmil
Crystal structure of PHGDH in complex with compound 9
Descriptor: D-3-phosphoglycerate dehydrogenase, SULFATE ION, ~{N}-cyclopropyl-2-methyl-5-phenyl-pyrazole-3-carboxamide
Authors:Bader, G, Wolkerstorfer, B, Zoephel, A.
Deposit date:2019-04-24
Release date:2019-08-07
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Intracellular Trapping of the Selective Phosphoglycerate Dehydrogenase (PHGDH) InhibitorBI-4924Disrupts Serine Biosynthesis.
J.Med.Chem., 62, 2019

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