7ENT
 
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5R21
 | | PanDDA analysis group deposition -- Endothiapepsin in complex with fragment F2X-Entry E07, DMSO-free | | Descriptor: | 1-(1-methyl-1,2,3,4-tetrahydroquinolin-6-yl)methanamine, Endothiapepsin | | Authors: | Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G, Weiss, M.S. | | Deposit date: | 2020-02-13 | | Release date: | 2020-06-03 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.047 Å) | | Cite: | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
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3IXQ
 | | Structure of ribose 5-phosphate isomerase a from methanocaldococcus jannaschii | | Descriptor: | ACETATE ION, CHLORIDE ION, Ribose-5-phosphate isomerase A, ... | | Authors: | Antonyuk, S.V, Ellis, M.J, Strange, R.W, Hasnain, S.S, Bessho, Y, Kuramitsu, S, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2009-09-04 | | Release date: | 2009-10-06 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | The structure of an archaeal ribose-5-phosphate isomerase from Methanocaldococcus jannaschii (MJ1603).
Acta Crystallogr.,Sect.F, 65, 2009
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3MWO
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4HO5
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5R8F
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4RT7
 | | Crystal Structure of FLT3 with a small molecule inhibitor | | Descriptor: | 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-{7-[2-(morpholin-4-yl)ethoxy]imidazo[2,1-b][1,3]benzothiazol-2-yl}phenyl)urea, Receptor-type tyrosine-protein kinase FLT3 | | Authors: | Zhang, Y, Zhang, C. | | Deposit date: | 2014-11-13 | | Release date: | 2015-04-22 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Characterizing and Overriding the Structural Mechanism of the Quizartinib-Resistant FLT3 "Gatekeeper" F691L Mutation with PLX3397.
Cancer Discov, 5, 2015
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5REJ
 | | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102241 | | Descriptor: | 1-{4-[(thiophen-2-yl)sulfonyl]piperazin-1-yl}ethan-1-one, 3C-like proteinase, DIMETHYL SULFOXIDE | | Authors: | Fearon, D, Owen, C.D, Douangamath, A, Lukacik, P, Powell, A.J, Strain-Damerell, C.M, Resnick, E, Krojer, T, Gehrtz, P, Wild, C, Aimon, A, Brandao-Neto, J, Carbery, A, Dunnett, L, Skyner, R, Snee, M, London, N, Walsh, M.A, von Delft, F. | | Deposit date: | 2020-03-15 | | Release date: | 2020-03-25 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease.
Nat Commun, 11, 2020
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2E9P
 | | Structure of h-CHK1 complexed with A771129 | | Descriptor: | 1-(5-CHLORO-2-METHOXYPHENYL)-3-{6-[2-(DIMETHYLAMINO)-1-METHYLETHOXY]PYRAZIN-2-YL}UREA, Serine/threonine-protein kinase Chk1 | | Authors: | Park, C. | | Deposit date: | 2007-01-26 | | Release date: | 2008-01-29 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structure-Based Design, Synthesis and Biological Evaluation of Potent and Selective Macrocyclic Chk1 Inhibitors
To be Published
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3TJE
 | | Crystal structure of Fas receptor extracellular domain in complex with Fab E09 | | Descriptor: | 1,2-ETHANEDIOL, CADMIUM ION, CHLORIDE ION, ... | | Authors: | Zuger, S, Stirnimann, C, Briand, C, Grutter, M.G. | | Deposit date: | 2011-08-24 | | Release date: | 2012-05-09 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | A series of Fas receptor agonist antibodies that demonstrate an inverse correlation between affinity and potency.
Cell Death Differ., 19, 2012
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1EQ7
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5RY7
 | | INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z1267773591 | | Descriptor: | 1-[(oxan-4-yl)methyl]piperazine, DIMETHYL SULFOXIDE, Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 1 | | Authors: | Bradshaw, W.J, Newman, J.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gileadi, O. | | Deposit date: | 2020-10-30 | | Release date: | 2020-11-11 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Regulation of inositol 5-phosphatase activity by the C2 domain of SHIP1 and SHIP2.
Structure, 2024
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5RF5
 | | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z3241250482 | | Descriptor: | 1,1-bis(oxidanylidene)thietan-3-ol, 3C-like proteinase, DIMETHYL SULFOXIDE | | Authors: | Fearon, D, Owen, C.D, Douangamath, A, Lukacik, P, Powell, A.J, Strain-Damerell, C.M, Resnick, E, Krojer, T, Gehrtz, P, Wild, C, Aimon, A, Brandao-Neto, J, Carbery, A, Dunnett, L, Skyner, R, Snee, M, London, N, Walsh, M.A, von Delft, F. | | Deposit date: | 2020-03-15 | | Release date: | 2020-03-25 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease.
Nat Commun, 11, 2020
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4HKO
 | | Crystal Structures of Mutant Endo-beta-1,4-xylanase II (E177Q) in the apo form | | Descriptor: | Endo-1,4-beta-xylanase 2, IODIDE ION | | Authors: | Langan, P, Wan, Q, Coates, L, Kovalevsky, A. | | Deposit date: | 2012-10-15 | | Release date: | 2014-01-08 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | X-ray crystallographic studies of family 11 xylanase Michaelis and product complexes: implications for the catalytic mechanism.
Acta Crystallogr.,Sect.D, 70, 2014
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1ESJ
 | | CRYSTAL STRUCTURE OF THIAZOLE KINASE MUTANT (C198S) | | Descriptor: | HYDROXYETHYLTHIAZOLE KINASE, SULFATE ION | | Authors: | Campobasso, N, Mathews, I.I, Begley, T.P, Ealick, S.E. | | Deposit date: | 2000-04-10 | | Release date: | 2000-08-09 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of 4-methyl-5-beta-hydroxyethylthiazole kinase from Bacillus subtilis at 1.5 A resolution.
Biochemistry, 39, 2000
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1YGT
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4C4S
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3GIW
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2X65
 | | Crystal structure of T. maritima GDP-mannose pyrophosphorylase in complex with mannose-1-phosphate. | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 1-O-phosphono-alpha-D-mannopyranose, ... | | Authors: | Pelissier, M.C, Lesley, S, Kuhn, P, Bourne, Y. | | Deposit date: | 2010-02-15 | | Release date: | 2010-06-23 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural Insights Into the Catalytic Mechanism of Bacterial Guanosine-Diphospho-D-Mannose Pyrophosphorylase and its Regulation by Divalent Ions.
J.Biol.Chem., 285, 2010
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2WHM
 | | Cellvibrio japonicus Man26A E121A and E320G double mutant in complex with mannobiose | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ENDO-1,4-BETA MANNANASE, MAN26A, ... | | Authors: | Durcos, V.M.A, Davies, G.J, Flint, J.E, Gilbert, H.J. | | Deposit date: | 2009-05-05 | | Release date: | 2009-05-26 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Understanding How Diverse -Mannanases Recognise Heterogeneous Substrates.
Biochemistry, 48, 2009
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1YAR
 | | Structure of Archeabacterial 20S proteasome mutant D9S- PA26 complex | | Descriptor: | GLYCEROL, Proteasome alpha subunit, Proteasome beta subunit, ... | | Authors: | Forster, A, Masters, E.I, Whitby, F.G, Robinson, H, Hill, C.P. | | Deposit date: | 2004-12-17 | | Release date: | 2005-07-26 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The 1.9 A structure of a proteasome-11S activator complex and implications for proteasome-PAN/PA700 interactions.
Mol.Cell, 18, 2005
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7EQ4
 | | Crystal Structure of the N-terminus of Nonstructural protein 1 from SARS-CoV-2 | | Descriptor: | Host translation inhibitor nsp1 | | Authors: | Liu, Y, Ke, Z, Hu, H, Zhao, K, Xiao, J, Xia, Y, Li, Y. | | Deposit date: | 2021-04-29 | | Release date: | 2021-06-09 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Structural Basis and Function of the N Terminus of SARS-CoV-2 Nonstructural Protein 1.
Microbiol Spectr, 9, 2021
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4CDC
 | | Human DPP1 in complex with (2S)-2-amino-N-((1S)-1-cyano-2-(4- phenylphenyl)ethyl)butanamide | | Descriptor: | (2S)-2-azanyl-N-[(2S)-1-azanylidene-3-(4-phenylphenyl)propan-2-yl]butanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | | Authors: | Debreczeni, J, Edman, K, Furber, M, Tiden, A, Gardiner, P, Mete, T, Ford, R, Millichip, I, Stein, L, Mather, A, Kinchin, E, Luckhurst, C, Cage, P, Sanghanee, H, Breed, J, Wissler, L. | | Deposit date: | 2013-10-31 | | Release date: | 2014-03-19 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Cathepsin C Inhibitors: Property Optimization and Identification of a Clinical Candidate.
J.Med.Chem., 57, 2014
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3U6V
 | | Crystal Structure Analysis of L23A mutant of human GST A1-1 | | Descriptor: | Glutathione S-transferase A1 | | Authors: | Fanucchi, S, Achilonu, I.A, Khoza, T.N, Fernandes, M.A, Gildenhuys, S, Dirr, H.W. | | Deposit date: | 2011-10-13 | | Release date: | 2011-10-26 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal Structure Analysis of L23A mutant of human GST A1-1
To be Published
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4JHO
 | | Structural analysis and insights into glycon specificity of the rice GH1 Os7BGlu26 beta-D-mannosidase | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-mannosidase/beta-glucosidase, GLYCEROL | | Authors: | Tankrathok, A, Luang, S, Robinson, R.C, Kimura, A, Hrmova, M, Ketudat Cairns, J.R. | | Deposit date: | 2013-03-05 | | Release date: | 2013-10-09 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | Structural analysis and insights into the glycon specificity of the rice GH1 Os7BGlu26 beta-D-mannosidase
Acta Crystallogr.,Sect.D, 69, 2013
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