4Z77
 
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4Z7O
 | | Integrin alphaIIbbeta3 in complex with AGDV peptide | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Lin, F.Y, Zhu, J, Springer, T.A. | | Deposit date: | 2015-04-07 | | Release date: | 2016-01-27 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | beta-Subunit Binding Is Sufficient for Ligands to Open the Integrin alpha IIb beta 3 Headpiece.
J.Biol.Chem., 291, 2016
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8BTR
 | | Giardia Ribosome in PRE-T Hybrid State (D2) | | Descriptor: | 5.8S rRNA, 5S rRNA, Large Subunit rRNA, ... | | Authors: | Majumdar, S, Emmerich, A.G, Sanyal, S. | | Deposit date: | 2022-11-29 | | Release date: | 2023-03-22 | | Last modified: | 2023-05-03 | | Method: | ELECTRON MICROSCOPY (3.25 Å) | | Cite: | Insights into translocation mechanism and ribosome evolution from cryo-EM structures of translocation intermediates of Giardia intestinalis.
Nucleic Acids Res., 51, 2023
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7H8Z
 | | Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z104511114 (CHIKV_MacB-x1335) | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-(methylsulfanyl)aniline, CHLORIDE ION, ... | | Authors: | Aschenbrenner, J.C, Fairhead, M, Godoy, A.S, Balcomb, B.H, Capkin, E, Chandran, A.V, Dolci, I, Golding, M, Koekemoer, L, Lithgo, R.M, Marples, P.G, Ni, X, Oliva, G, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F. | | Deposit date: | 2024-04-26 | | Release date: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain
To Be Published
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7H91
 | | Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z56347237 (CHIKV_MacB-x1338) | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Aschenbrenner, J.C, Fairhead, M, Godoy, A.S, Balcomb, B.H, Capkin, E, Chandran, A.V, Dolci, I, Golding, M, Koekemoer, L, Lithgo, R.M, Marples, P.G, Ni, X, Oliva, G, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F. | | Deposit date: | 2024-04-26 | | Release date: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain
To Be Published
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8B6J
 | | Cryo-EM structure of cytochrome bc1 complex (complex-III) from respiratory supercomplex of Tetrahymena thermophila | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, Apocytochrome b, ... | | Authors: | Muhleip, A, Kock Flygaard, R, Amunts, A. | | Deposit date: | 2022-09-27 | | Release date: | 2023-03-29 | | Last modified: | 2023-04-12 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Structural basis of mitochondrial membrane bending by the I-II-III 2 -IV 2 supercomplex.
Nature, 615, 2023
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7H9H
 | | Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z55692894 (CHIKV_MacB-x1444) | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-methyl-1~{H}-benzimidazole, CHLORIDE ION, ... | | Authors: | Aschenbrenner, J.C, Fairhead, M, Godoy, A.S, Balcomb, B.H, Capkin, E, Chandran, A.V, Dolci, I, Golding, M, Koekemoer, L, Lithgo, R.M, Marples, P.G, Ni, X, Oliva, G, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F. | | Deposit date: | 2024-04-26 | | Release date: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain
To Be Published
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7H7C
 | | Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z31504642 (CHIKV_MacB-x0692) | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-methoxy-N-phenylacetamide, CHLORIDE ION, ... | | Authors: | Aschenbrenner, J.C, Fairhead, M, Godoy, A.S, Balcomb, B.H, Capkin, E, Chandran, A.V, Dolci, I, Golding, M, Koekemoer, L, Lithgo, R.M, Marples, P.G, Ni, X, Oliva, G, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F. | | Deposit date: | 2024-04-26 | | Release date: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.39 Å) | | Cite: | Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain
To Be Published
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8BUU
 | | ARE-ABCF VmlR2 bound to a 70S ribosome | | Descriptor: | 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ... | | Authors: | Crowe-McAuliffe, C, Wilson, D.N. | | Deposit date: | 2022-11-30 | | Release date: | 2023-04-05 | | Last modified: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Genome-encoded ABCF factors implicated in intrinsic antibiotic resistance in Gram-positive bacteria: VmlR2, Ard1 and CplR.
Nucleic Acids Res., 51, 2023
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7H7T
 | | Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z385370362 (CHIKV_MacB-x0969) | | Descriptor: | (2,3-dihydro-1-benzofuran-5-yl)methanol, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ... | | Authors: | Aschenbrenner, J.C, Fairhead, M, Godoy, A.S, Balcomb, B.H, Capkin, E, Chandran, A.V, Dolci, I, Golding, M, Koekemoer, L, Lithgo, R.M, Marples, P.G, Ni, X, Oliva, G, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F. | | Deposit date: | 2024-04-26 | | Release date: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.34 Å) | | Cite: | Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain
To Be Published
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7H96
 | | Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z440625162 (CHIKV_MacB-x1379) | | Descriptor: | 2,3-dihydro-1,4-benzodioxin-5-ylmethanol, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ... | | Authors: | Aschenbrenner, J.C, Fairhead, M, Godoy, A.S, Balcomb, B.H, Capkin, E, Chandran, A.V, Dolci, I, Golding, M, Koekemoer, L, Lithgo, R.M, Marples, P.G, Ni, X, Oliva, G, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F. | | Deposit date: | 2024-04-26 | | Release date: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain
To Be Published
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5UK7
 | | Escherichia coli Hfq bound to dsDNA | | Descriptor: | DNA (5'-D(P*CP*GP*GP*CP*AP*AP*AP*AP*AP*AP*CP*GP*GP*CP*AP*AP*AP*AP*AP*A)-3'), DNA (5'-D(P*TP*TP*TP*TP*TP*TP*GP*CP*CP*GP*TP*TP*TP*TP*TP*TP*GP*CP*CP*G)-3'), RNA-binding protein Hfq, ... | | Authors: | Orans, J, Kovach, A.R, Brennan, R.G. | | Deposit date: | 2017-01-20 | | Release date: | 2018-05-09 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Crystal structure of Escherichia coli Hfq DNA complex reveals multifunctional nucleic acid binding site
To Be Published
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4ZGC
 | | Crystal Structure Analysis of Kelch protein (with disulfide bond) from Plasmodium falciparum | | Descriptor: | Kelch protein, UNKNOWN ATOM OR ION | | Authors: | Jiang, D.Q, Tempel, W, Loppnau, P, Graslund, S, He, H, Ravichandran, M, Seitova, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, El Bakkouri, M, Senisterra, G, Osman, K.T, Lovato, D.V, Hui, R, Hutchinson, A, Lin, Y.H, Structural Genomics Consortium (SGC) | | Deposit date: | 2015-04-22 | | Release date: | 2015-06-10 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure of kelch protein with disulfide bond from Plasmodium falciparum.
to be published
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5UOB
 | | Structure of human endothelial nitric oxide synthase heme domain in complex with (R)-3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-(2-(methylamino)propyl)benzonitrile | | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-[(2R)-2-(methylamino)propyl]benzonitrile, CHLORIDE ION, ... | | Authors: | Chreifi, G, Li, H, Poulos, T.L. | | Deposit date: | 2017-01-31 | | Release date: | 2017-05-03 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.292 Å) | | Cite: | Nitrile in the Hole: Discovery of a Small Auxiliary Pocket in Neuronal Nitric Oxide Synthase Leading to the Development of Potent and Selective 2-Aminoquinoline Inhibitors.
J. Med. Chem., 60, 2017
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7VB6
 | | Crystal structure of hydroxynitrile lyase from Linum usitatissium complexed with (R)-2-hydroxy-2-methylbutanenitrile | | Descriptor: | (2R)-2-methyl-2-oxidanyl-butanenitrile, 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | | Authors: | Zheng, D, Nakabayashi, M, Asano, Y. | | Deposit date: | 2021-08-30 | | Release date: | 2022-02-09 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Structural characterization of Linum usitatissimum hydroxynitrile lyase: A new cyanohydrin decomposition mechanism involving a cyano-zinc complex.
J.Biol.Chem., 298, 2022
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8B6W
 | | Mpf2Ba1 pore | | Descriptor: | MAGNESIUM ION, Mpf2Ba1 | | Authors: | Marini, G, Poland, B, Leininger, C, Lukoyanova, N, Spielbauer, D, Barry, J, Altier, D, Lum, A, Scolaro, E, Perez Ortega, C, Yalpani, N, Sandahl, G, Mabry, T, Klever, J, Nowatzki, T, Zhao, J.Z, Sethi, A, Kassa, A, Crane, V, Lu, A, Nelson, M.E, Eswar, N, Topf, M, Saibil, H.R. | | Deposit date: | 2022-09-27 | | Release date: | 2023-05-31 | | Last modified: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (2.6 Å) | | Cite: | Structural journey of an insecticidal protein against western corn rootworm.
Nat Commun, 14, 2023
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7VB5
 | | Crystal structure of hydroxynitrile lyase from Linum usitatissimum complexed with acetone cyanohydrin | | Descriptor: | 1,2-ETHANEDIOL, 2-HYDROXY-2-METHYLPROPANENITRILE, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | | Authors: | Zheng, D, Nakabayashi, M, Asano, Y. | | Deposit date: | 2021-08-30 | | Release date: | 2022-02-09 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Structural characterization of Linum usitatissimum hydroxynitrile lyase: A new cyanohydrin decomposition mechanism involving a cyano-zinc complex.
J.Biol.Chem., 298, 2022
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7K0B
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7VB3
 | | Crystal structure of hydroxynitrile lyase from Linum usitatissimum | | Descriptor: | 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Aliphatic (R)-hydroxynitrile lyase, ... | | Authors: | Zheng, D, Nakabayashi, M, Asano, Y. | | Deposit date: | 2021-08-30 | | Release date: | 2022-02-09 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | Structural characterization of Linum usitatissimum hydroxynitrile lyase: A new cyanohydrin decomposition mechanism involving a cyano-zinc complex.
J.Biol.Chem., 298, 2022
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8B3Q
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8BVW
 | | RNA polymerase II pre-initiation complex with the distal +1 nucleosome (PIC-Nuc18W) | | Descriptor: | CDK-activating kinase assembly factor MAT1, Cyclin-H, Cyclin-dependent kinase 7, ... | | Authors: | Abril-Garrido, J, Dienemann, C, Grabbe, F, Velychko, T, Lidschreiber, M, Wang, H, Cramer, P. | | Deposit date: | 2022-12-20 | | Release date: | 2023-05-03 | | Last modified: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | Structural basis of transcription reduction by a promoter-proximal +1 nucleosome.
Mol.Cell, 83, 2023
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8B3P
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8B3O
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7K9N
 | | Co-crystal structure of alpha glucosidase with compound 2 | | Descriptor: | (1S,2S,3R,4S,5S)-1-(hydroxymethyl)-5-[(9-methoxynonyl)amino]cyclohexane-1,2,3,4-tetrol, 1,2-ETHANEDIOL, Alpha glucosidase 2 alpha neutral subunit, ... | | Authors: | Karade, S.S, Mariuzza, R.A. | | Deposit date: | 2020-09-29 | | Release date: | 2021-09-29 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | N-Substituted Valiolamine Derivatives as Potent Inhibitors of Endoplasmic Reticulum alpha-Glucosidases I and II with Antiviral Activity.
J.Med.Chem., 64, 2021
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7K9O
 | | Co-crystal structure of alpha glucosidase with compound 3 | | Descriptor: | (1~{S},2~{S},3~{R},4~{S},5~{S})-1-(hydroxymethyl)-5-[6-[[2-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]-4-(1,2,3,4-tetrazol-1-yl)phenyl]amino]hexylamino]cyclohexane-1,2,3,4-tetrol, 1,2-ETHANEDIOL, Alpha glucosidase 2 alpha neutral subunit, ... | | Authors: | Karade, S.S, Mariuzza, R.A. | | Deposit date: | 2020-09-29 | | Release date: | 2021-09-29 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.302 Å) | | Cite: | N-Substituted Valiolamine Derivatives as Potent Inhibitors of Endoplasmic Reticulum alpha-Glucosidases I and II with Antiviral Activity.
J.Med.Chem., 64, 2021
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