5PNI
 
 | | PanDDA analysis group deposition -- Crystal Structure of JMJD2D after initial refinement with no ligand modelled (structure 212) | | Descriptor: | 1,2-ETHANEDIOL, Lysine-specific demethylase 4D, MAGNESIUM ION, ... | | Authors: | Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Vollmar, M, Ng, J, Szykowska, A, Burgess-Brown, N, Brennan, P.E, Cox, O, Oppermann, U, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. | | Deposit date: | 2017-02-07 | | Release date: | 2017-03-15 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
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7OCA
 | | Resting state full-length GluA1/A2 heterotertramer in complex with TARP gamma 8 and CNIH2 | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Zhang, D, Watson, J.F, Matthews, P.M, Cais, O, Greger, I.H. | | Deposit date: | 2021-04-26 | | Release date: | 2021-06-09 | | Last modified: | 2024-11-13 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Gating and modulation of a hetero-octameric AMPA glutamate receptor.
Nature, 594, 2021
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4U2Z
 | | X-ray crystal structure of an Sco GlgEI-V279S/1,2,2-trifluromaltose complex | | Descriptor: | Alpha-1,4-glucan:maltose-1-phosphate maltosyltransferase 1, alpha-D-glucopyranose-(1-4)-2-deoxy-2,2-difluoro-alpha-D-arabino-hexopyranosyl fluoride | | Authors: | Ronning, D.R, Lindenberger, J.J. | | Deposit date: | 2014-07-18 | | Release date: | 2015-07-22 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Synthesis of 2-deoxy-2,2-difluoro-alpha-maltosyl fluoride and its X-ray structure in complex with Streptomyces coelicolor GlgEI-V279S.
Org.Biomol.Chem., 13, 2015
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7OH4
 | | Cryo-EM structure of Drs2p-Cdc50p in the E1 state with PI4P and Mg2+ bound | | Descriptor: | (2R)-1-{[(R)-hydroxy{[(1R,2R,3R,4R,5S,6R)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}-3-(octadecanoyloxy)propan-2-yl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Timcenko, M, Dieudonne, T, Montigny, C, Boesen, T, Lyons, J.A, Lenoir, G, Nissen, P. | | Deposit date: | 2021-05-09 | | Release date: | 2021-06-09 | | Last modified: | 2024-11-20 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Structural basis of substrate-independent phosphorylation in a P4-ATPase lipid flippase
J.Mol.Biol., 2021
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7OH7
 | | Cryo-EM structure of Drs2p-Cdc50p in the E1-AMPPCP state with PI4P bound | | Descriptor: | (2R)-1-{[(R)-hydroxy{[(1R,2R,3R,4R,5S,6R)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}-3-(octadecanoyloxy)propan-2-yl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Cell division control protein 50, ... | | Authors: | Timcenko, M, Dieudonne, T, Montigny, C, Boesen, T, Lyons, J.A, Lenoir, G, Nissen, P. | | Deposit date: | 2021-05-09 | | Release date: | 2021-06-09 | | Last modified: | 2024-11-06 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Structural basis of substrate-independent phosphorylation in a P4-ATPase lipid flippase
J.Mol.Biol., 2021
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3WBE
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1NHI
 | | Crystal structure of N-terminal 40KD MutL (LN40) complex with ADPnP and one potassium | | Descriptor: | 1,2-ETHANEDIOL, DNA mismatch repair protein mutL, MAGNESIUM ION, ... | | Authors: | Hu, X, Machius, M, Yang, W. | | Deposit date: | 2002-12-19 | | Release date: | 2003-06-10 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Monovalent cation dependence and preference of GHKL ATPases and kinases
FEBS Lett., 544, 2003
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6UZ3
 | | Cardiac sodium channel | | Descriptor: | (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Jiang, D, Shi, H, Tonggu, L, Lenaeus, M.J, Zheng, N, Catterall, W.A. | | Deposit date: | 2019-11-14 | | Release date: | 2020-01-01 | | Last modified: | 2024-10-16 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Structure of the Cardiac Sodium Channel.
Cell, 180, 2020
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4BVO
 | | Legionella pneumophila NTPDase1 crystal form VI (part-open) in complex with polytungstate POM-1 | | Descriptor: | 12-POLYTUNGSTATE, ECTONUCLEOSIDE TRIPHOSPHATE DIPHOSPHOHYDROLASE I, L(+)-TARTARIC ACID, ... | | Authors: | Zebisch, M, Schaefer, P, Straeter, N. | | Deposit date: | 2013-06-27 | | Release date: | 2014-02-12 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structures of Legionella Pneumophila Ntpdase1 in Complex with Polyoxometallates.
Acta Crystallogr.,Sect.D, 70, 2014
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9DKP
 | | The structure of human vacuolar protein sorting 34 catalytic domain bound to RD-I-53 | | Descriptor: | (8R)-3-(1,3-benzothiazol-2-yl)pyrazolo[1,5-a]pyrimidine, 2-ETHOXYETHANOL, CHLORIDE ION, ... | | Authors: | Abiodun, W.O, Tsubaki, E, Dass, R, Singleton, J.D, Samarawickrama, P, Doukov, T, Peterson, M.A, Moody, J.D. | | Deposit date: | 2024-09-09 | | Release date: | 2025-09-17 | | Method: | X-RAY DIFFRACTION (2.16 Å) | | Cite: | Facile Bacterial Production of Human Vacuolar Protein Sorting 34 Enables Structural Characterization of Novel Inhibitors
To Be Published
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6V54
 | | Crystal Structure of Metallo Beta Lactamase from Hirschia baltica | | Descriptor: | 1,2-ETHANEDIOL, Beta-lactamase, CHLORIDE ION, ... | | Authors: | Maltseva, N, Kim, Y, Clancy, S, Endres, M, Mulligan, R, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2019-12-03 | | Release date: | 2019-12-25 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Crystal Structure of Metallo Beta Lactamase from Hirschia baltica.
To Be Published
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1T76
 | | Crystal structure of the androgen receptor ligand binding domain in complex with a WxxVW motif | | Descriptor: | 1,2-ETHANEDIOL, 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor, ... | | Authors: | Hur, E, Pfaff, S.J, Payne, E.S, Gron, H, Buehrer, B.M, Fletterick, R.J. | | Deposit date: | 2004-05-08 | | Release date: | 2004-08-31 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Recognition and accommodation at the androgen receptor coactivator binding interface.
Plos Biol., 2, 2004
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7OH6
 | | Cryo-EM structure of Drs2p-Cdc50p in the [PS]E2-AlFx state | | Descriptor: | (2R)-1-{[(R)-hydroxy{[(1R,2R,3R,4R,5S,6R)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}-3-(octadecanoyloxy)propan-2-yl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Timcenko, M, Dieudonne, T, Montigny, C, Boesen, T, Lyons, J.A, Lenoir, G, Nissen, P. | | Deposit date: | 2021-05-09 | | Release date: | 2021-06-09 | | Last modified: | 2024-10-23 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Structural basis of substrate-independent phosphorylation in a P4-ATPase lipid flippase
J.Mol.Biol., 2021
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1T8M
 | | CRYSTAL STRUCTURE OF THE P1 HIS BPTI MUTANT- BOVINE CHYMOTRYPSIN COMPLEX | | Descriptor: | Chymotrypsin A, Pancreatic trypsin inhibitor, SULFATE ION | | Authors: | Czapinska, H, Helland, R, Otlewski, J, Smalas, A.O. | | Deposit date: | 2004-05-13 | | Release date: | 2005-03-08 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structures of five bovine chymotrypsin complexes with P1 BPTI variants.
J.Mol.Biol., 344, 2004
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5U7D
 | | PDE2 catalytic domain complexed with inhibitors | | Descriptor: | 2-(3,4-dimethoxybenzyl)-7-[(2R,3R)-2-hydroxy-6-phenylhexan-3-yl]-5-methylimidazo[5,1-f][1,2,4]triazin-4(3H)-one, MAGNESIUM ION, ZINC ION, ... | | Authors: | Pandit, J, Parris, K. | | Deposit date: | 2016-12-12 | | Release date: | 2017-06-28 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Application of Structure-Based Design and Parallel Chemistry to Identify a Potent, Selective, and Brain Penetrant Phosphodiesterase 2A Inhibitor.
J. Med. Chem., 60, 2017
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3DPC
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6LON
 | | Crystal structure of HPSG | | Descriptor: | (2~{S})-2,3-bis(oxidanyl)propane-1-sulfonic acid, GLYCEROL, PFL2/glycerol dehydratase family glycyl radical enzyme, ... | | Authors: | Liu, J, Zhang, Y, Yuchi, Z. | | Deposit date: | 2020-01-06 | | Release date: | 2020-06-24 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Two radical-dependent mechanisms for anaerobic degradation of the globally abundant organosulfur compound dihydroxypropanesulfonate.
Proc.Natl.Acad.Sci.USA, 117, 2020
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9MSU
 | | Candida albicans Hsp90 nucleotide binding domain in complex with BX2819 | | Descriptor: | 1,2-ETHANEDIOL, Heat shock protein 90 homolog, ethyl (4-{3-[2,4-dihydroxy-5-(1-methylethyl)phenyl]-5-sulfanyl-4H-1,2,4-triazol-4-yl}benzyl)carbamate | | Authors: | Kowalewski, M.E, Redinbo, M.R. | | Deposit date: | 2025-01-10 | | Release date: | 2025-06-04 | | Last modified: | 2025-06-18 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | Structural Insights into Selectively Targeting Candida albicans Hsp90.
Biochemistry, 64, 2025
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5FDL
 | | Crystal Structure of K103N/Y181C Mutant HIV-1 Reverse Transcriptase (RT) in Complex with IDX899 | | Descriptor: | P51 Reverse transcriptase, P66 Reverse transcriptase, methyl (R)-(2-carbamoyl-5-chloro-1H-indol-3-yl)[3-(2-cyanoethyl)-5-methylphenyl]phosphinate | | Authors: | Dousson, C.B, Alexandre, F.-R, Convard, T, Fisher, M, Lamers, M.B.A.C, Leonard, P.M. | | Deposit date: | 2015-12-16 | | Release date: | 2016-02-17 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Discovery of the Aryl-phospho-indole IDX899, a Highly Potent Anti-HIV Non-nucleoside Reverse Transcriptase Inhibitor.
J.Med.Chem., 59, 2016
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3O12
 | | The crystal structure of a functionally unknown protein from Saccharomyces cerevisiae. | | Descriptor: | 1,2-ETHANEDIOL, SULFATE ION, Uncharacterized protein YJL217W | | Authors: | Zhang, R, Tan, K, Xu, X, Cui, H, Chin, S, Savchenko, A, Edwards, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2010-07-20 | | Release date: | 2010-09-15 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | The crystal structure of a functionally unknown protein from Saccharomyces cerevisiae.
TO BE PUBLISHED
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3G8V
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2WLR
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9LSL
 | | The crystal structure of PDE5A with L1 | | Descriptor: | (13~{S},15~{R})-15-(3-chloranyl-4-methoxy-phenyl)-12-ethanoyl-8,12,16-triazatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadeca-1(17),2,4,6,8-pentaene-4-carbonitrile, MAGNESIUM ION, ZINC ION, ... | | Authors: | Wu, D, Huang, Y.-Y, Luo, H.-B. | | Deposit date: | 2025-02-04 | | Release date: | 2025-06-18 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Plasma metabolites-based drug design: Discovery of novel and highly selective phosphodiesterase 5 inhibitors
Chin.Chem.Lett., 2025
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7JSO
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3G9I
 | | GR DNA Binding domain: Pal complex-35 | | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*AP*AP*GP*AP*AP*CP*AP*TP*TP*TP*TP*GP*TP*TP*CP*T)-3'), DNA (5'-D(*TP*AP*GP*AP*AP*CP*AP*AP*AP*AP*TP*GP*TP*TP*CP*T)-3'), ... | | Authors: | Pufall, M.A, Yamamoto, K.R, Meijsing, S.H. | | Deposit date: | 2009-02-13 | | Release date: | 2009-04-21 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | DNA binding site sequence directs glucocorticoid receptor structure and activity.
Science, 324, 2009
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