7GAR
 
 | | PanDDA analysis group deposition -- Crystal Structure of MAP1LC3B in complex with Z820676436 | | Descriptor: | 1,2-ETHANEDIOL, 2-(4-bromanylpyrazol-1-yl)-~{N}-cyclopropyl-~{N}-methyl-ethanamide, CHLORIDE ION, ... | | Authors: | Kumar, A, Marples, P.G, Tomlinson, C.W.E, Fearon, D, von-Delft, F, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2023-08-10 | | Release date: | 2024-09-04 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
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5WTR
 | | Crystal structure of a prokaryotic TRIC channel in 0.5 M KCl | | Descriptor: | 1,2-ETHANEDIOL, POTASSIUM ION, TRISTEAROYLGLYCEROL, ... | | Authors: | Ou, X.M, Wang, L.F, Yang, H.T, Liu, X.Y, Liu, Z.F. | | Deposit date: | 2016-12-14 | | Release date: | 2017-04-05 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Ion and water binding sites inside an occluded hourglass pore of a TRIC channel
BMC BIOL., 2017
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7GAK
 | | PanDDA analysis group deposition -- Crystal Structure of MAP1LC3B in complex with Z287121492 | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Microtubule-associated proteins 1A/1B light chain 3B, ... | | Authors: | Kumar, A, Marples, P.G, Tomlinson, C.W.E, Fearon, D, von-Delft, F, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2023-08-10 | | Release date: | 2024-09-04 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
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7FUI
 | | Crystal Structure of human cyclic GMP-AMP synthase in complex with (Z)-2-cyano-N-[4-(3-fluorophenyl)-5-methylsulfonylpyrimidin-2-yl]-3-hydroxy-3-(5-methyl-1,2-oxazol-4-yl)prop-2-enamide | | Descriptor: | (2Z)-2-cyano-N-[(4P)-4-(3-fluorophenyl)-5-(methanesulfonyl)pyrimidin-2-yl]-3-hydroxy-3-(5-methyl-1,2-oxazol-4-yl)prop-2-enamide, ADENOSINE-5'-TRIPHOSPHATE, Cyclic GMP-AMP synthase, ... | | Authors: | Leibrock, L, Benz, J, Groebke-Zbinden, K, Rudolph, M.G. | | Deposit date: | 2023-02-08 | | Release date: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Crystal Structure of a human cyclic GMP-AMP synthase complex
To be published
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2V4L
 | | complex of human phosphoinositide 3-kinase catalytic subunit gamma (p110 gamma) with PIK-284 | | Descriptor: | 3-[4-AMINO-1-(1-METHYLETHYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-3-YL]PHENOL, PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT GAMMA ISOFORM | | Authors: | Apsel, B, Gonzalez, B, Blair, J.A, Nazif, T.M, Feldman, M.E, Williams, R.L, Shokat, K.M, Knight, Z.A. | | Deposit date: | 2008-09-25 | | Release date: | 2008-10-14 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Targeted Polypharmacology: Discovery of Dual Inhibitors of Tyrosine and Phosphoinositide Kinases.
Nat.Chem.Biol., 4, 2008
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7GAH
 | | PanDDA analysis group deposition -- Crystal Structure of MAP1LC3B in complex with Z2033637875 | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Microtubule-associated proteins 1A/1B light chain 3B, ... | | Authors: | Kumar, A, Marples, P.G, Tomlinson, C.W.E, Fearon, D, von-Delft, F, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2023-08-10 | | Release date: | 2024-09-04 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
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9FX8
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3JAF
 | | Structure of alpha-1 glycine receptor by single particle electron cryo-microscopy, glycine/ivermectin-bound state | | Descriptor: | (2aE,4E,5'S,6S,6'R,7S,8E,11R,13R,15S,17aR,20R,20aR,20bS)-6'-[(2S)-butan-2-yl]-20,20b-dihydroxy-5',6,8,19-tetramethyl-17 -oxo-3',4',5',6,6',10,11,14,15,17,17a,20,20a,20b-tetradecahydro-2H,7H-spiro[11,15-methanofuro[4,3,2-pq][2,6]benzodioxacy clooctadecine-13,2'-pyran]-7-yl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl)-3-O-methyl-alpha-L-arabino-hexopyranoside, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Glycine receptor subunit alphaZ1 | | Authors: | Du, J, Lu, W, Wu, S.P, Cheng, Y.F, Gouaux, E. | | Deposit date: | 2015-06-08 | | Release date: | 2015-09-09 | | Last modified: | 2024-10-16 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Glycine receptor mechanism elucidated by electron cryo-microscopy.
Nature, 526, 2015
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7FUM
 | | Crystal Structure of human cyclic GMP-AMP synthase in complex with 2-[(4-benzylpiperazin-1-yl)methyl]-6-(2-chloro-4-methylphenyl)-1H-benzimidazole-4-carboxylic acid | | Descriptor: | (5M)-2-[(4-benzylpiperazin-1-yl)methyl]-5-(2-chloro-4-methylphenyl)-1H-benzimidazole-7-carboxylic acid, Cyclic GMP-AMP synthase, ZINC ION | | Authors: | Leibrock, L, Benz, J, Groebke-Zbinden, K, Galley, G, Rudolph, M.G. | | Deposit date: | 2023-02-08 | | Release date: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | Crystal Structure of a human cyclic GMP-AMP synthase complex
To be published
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7FUN
 | | Crystal Structure of human cyclic GMP-AMP synthase in complex with 2-[(4-benzylpiperazin-1-yl)methyl]-6-(2-chloro-4-methylphenyl)-1H-benzimidazole-4-carboxylic acid | | Descriptor: | (5M)-2-[(4-benzylpiperazin-1-yl)methyl]-5-(2-chloro-4-methylphenyl)-1H-benzimidazole-7-carboxylic acid, CHLORIDE ION, Cyclic GMP-AMP synthase, ... | | Authors: | Leibrock, L, Benz, J, Groebke-Zbinden, K, Galley, G, Rudolph, M.G. | | Deposit date: | 2023-02-08 | | Release date: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Crystal Structure of a human cyclic GMP-AMP synthase complex
To be published
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7L0N
 | | Circulating SARS-CoV-2 spike N439K variants maintain fitness while evading antibody-mediated immunity | | Descriptor: | 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ... | | Authors: | Snell, G, Czudnochowski, N, Dillen, J, Nix, J.C, Croll, T.I, Corti, D. | | Deposit date: | 2020-12-11 | | Release date: | 2021-02-17 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.78 Å) | | Cite: | Circulating SARS-CoV-2 spike N439K variants maintain fitness while evading antibody-mediated immunity.
Cell, 184, 2021
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4TU8
 | | STRUCTURE OF U2AF65 VARIANT WITH BRU5A6 DNA | | Descriptor: | 1,2-ETHANEDIOL, 1,4-DIETHYLENE DIOXIDE, DNA (5'-D(*UP*UP*UP*UP*(BRU)P*DA*U)-3'), ... | | Authors: | MCLAUGHLIN, K.J, JENKINS, J.L, Agrawal, A.A, KIELKOPF, C.L. | | Deposit date: | 2014-06-24 | | Release date: | 2014-11-26 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.918 Å) | | Cite: | Structure-guided U2AF65 variant improves recognition and splicing of a defective pre-mRNA.
Proc.Natl.Acad.Sci.USA, 111, 2014
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7GAL
 | | PanDDA analysis group deposition -- Crystal Structure of MAP1LC3B in complex with Z291279160 | | Descriptor: | 1,2-ETHANEDIOL, 1-[2-(trifluoromethyloxy)phenyl]thiourea, CHLORIDE ION, ... | | Authors: | Kumar, A, Marples, P.G, Tomlinson, C.W.E, Fearon, D, von-Delft, F, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2023-08-10 | | Release date: | 2024-09-04 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
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7GAI
 | | PanDDA analysis group deposition -- Crystal Structure of MAP1LC3B in complex with Z212122838 | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Microtubule-associated proteins 1A/1B light chain 3B, ... | | Authors: | Kumar, A, Marples, P.G, Tomlinson, C.W.E, Fearon, D, von-Delft, F, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2023-08-10 | | Release date: | 2024-09-04 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
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3K37
 | | Crystal Structure of B/Perth Neuraminidase in complex with Peramivir | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(1-ACETYLAMINO-2-ETHYL-BUTYL)-4-GUANIDINO-2-HYDROXY-CYCLOPENTANECARBOXYLIC ACID, CALCIUM ION, ... | | Authors: | Oakley, A.J, McKimm-Breschkin, J.L. | | Deposit date: | 2009-10-02 | | Release date: | 2010-09-01 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural and Functional Basis of Resistance to Neuraminidase Inhibitors of Influenza B Viruses.
J.Med.Chem., 2010
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7GAD
 | | PanDDA analysis group deposition -- Crystal Structure of MAP1LC3B in complex with Z1667545918 | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Microtubule-associated proteins 1A/1B light chain 3B, ... | | Authors: | Kumar, A, Marples, P.G, Tomlinson, C.W.E, Fearon, D, von-Delft, F, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2023-08-10 | | Release date: | 2024-09-04 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
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5J63
 | | Crystal Structure of the N-terminal N-formyltransferase Domain (residues 1-306) of Escherichia coli Arna in Complex with UDP-Ara4N and Folinic Acid | | Descriptor: | (2R,3R,4S,5S)-5-amino-3,4-dihydroxytetrahydro-2H-pyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate, (4aS,6S)-2-amino-6-{(E)-[(4-methylphenyl)imino]methyl}-4-oxo-4,6,7,8-tetrahydropteridine-5(4aH)-carbaldehyde, Bifunctional polymyxin resistance protein ArnA | | Authors: | Thoden, J.B, Genthe, N.A, Holden, H.M. | | Deposit date: | 2016-04-04 | | Release date: | 2016-05-25 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure of the Escherichia coli ArnA N-formyltransferase domain in complex with N(5) -formyltetrahydrofolate and UDP-Ara4N.
Protein Sci., 25, 2016
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4XB3
 | | Structure of dextran glucosidase | | Descriptor: | CALCIUM ION, Glucan 1,6-alpha-glucosidase, HEXAETHYLENE GLYCOL | | Authors: | Kobayashi, M, Kato, K, Yao, M. | | Deposit date: | 2014-12-16 | | Release date: | 2015-08-26 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.093 Å) | | Cite: | Structural insights into the catalytic reaction that is involved in the reorientation of Trp238 at the substrate-binding site in GH13 dextran glucosidase
Febs Lett., 589, 2015
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7GAM
 | | PanDDA analysis group deposition -- Crystal Structure of MAP1LC3B in complex with Z373768900 | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Microtubule-associated proteins 1A/1B light chain 3B, ... | | Authors: | Kumar, A, Marples, P.G, Tomlinson, C.W.E, Fearon, D, von-Delft, F, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2023-08-10 | | Release date: | 2024-09-04 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
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6UP9
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4Y2A
 | | Crystal Structure of Coxsackie Virus B3 3D polymerase in complex with GPC-N114 inhibitor | | Descriptor: | 2,2'-[(4-chlorobenzene-1,2-diyl)bis(oxy)]bis(5-nitrobenzonitrile), 3D polymerase, GLYCEROL, ... | | Authors: | Vives-Adrian, L, Ferrer-Orta, C, Verdaguer, N. | | Deposit date: | 2015-02-09 | | Release date: | 2015-04-01 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | The RNA Template Channel of the RNA-Dependent RNA Polymerase as a Target for Development of Antiviral Therapy of Multiple Genera within a Virus Family.
Plos Pathog., 11, 2015
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8RQG
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6UQ8
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5C3S
 | | Crystal structure of the full-length Neurospora crassa T7H in complex with alpha-KG and 5-formyluracil (5fU) | | Descriptor: | 1,2-ETHANEDIOL, 2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbaldehyde, 2-OXOGLUTARIC ACID, ... | | Authors: | Li, W, Zhang, T, Ding, J. | | Deposit date: | 2015-06-17 | | Release date: | 2015-10-21 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Molecular basis for the substrate specificity and catalytic mechanism of thymine-7-hydroxylase in fungi
Nucleic Acids Res., 43, 2015
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3K4Z
 | | Crystal Structure of the Cellulosomal CBM4 from Clostridium thermocellum Cellulase CbhA | | Descriptor: | 1-O-phosphono-beta-D-glucopyranose, Glycoside hydrolase family 9, MAGNESIUM ION, ... | | Authors: | Alahuhta, P.M, Xu, Q, Himmel, M.E, Lunin, V.V. | | Deposit date: | 2009-10-06 | | Release date: | 2010-07-28 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | The unique binding mode of cellulosomal CBM4 from Clostridium thermocellum cellobiohydrolase A.
J.Mol.Biol., 402, 2010
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