6HUW
 
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5FLF
 | | DISEASE LINKED MUTATION IN FGFR | | Descriptor: | ACETATE ION, CHLORIDE ION, FIBROBLAST GROWTH FACTOR RECEPTOR 1, ... | | Authors: | Thiyagarajan, N, Bunney, T.D, Katan, M. | | Deposit date: | 2015-10-26 | | Release date: | 2016-03-30 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.58 Å) | | Cite: | Landscape of Activating Cancer Mutations in Fgfr Kinases and Their Differential Responses to Inhibitors in Clinical Use.
Oncotarget, 7, 2016
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6P3H
 | | Crystal structure of LigU(K66M) bound to substrate | | Descriptor: | (1E)-4-oxobut-1-ene-1,2,4-tricarboxylic acid, (4E)-oxalomesaconate Delta-isomerase, CHLORIDE ION | | Authors: | Cory, S.A, Hogancamp, T.N, Raushel, F.M, Barondeau, D.P. | | Deposit date: | 2019-05-23 | | Release date: | 2019-07-31 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Structure and Chemical Reaction Mechanism of LigU, an Enzyme That Catalyzes an Allylic Isomerization in the Bacterial Degradation of Lignin.
Biochemistry, 58, 2019
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6HV0
 | | IRE1 kinase/RNase in complex with imidazo[1,2-b]pyridazin-8-amine compound 33 | | Descriptor: | 6-chloranyl-3-(2~{H}-indazol-5-yl)-~{N}-propan-2-yl-imidazo[1,2-b]pyridazin-8-amine, Serine/threonine-protein kinase/endoribonuclease IRE1 | | Authors: | Bayliss, R, Bhatia, C, Collins, I. | | Deposit date: | 2018-10-09 | | Release date: | 2019-02-27 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.73 Å) | | Cite: | Binding to an Unusual Inactive Kinase Conformation by Highly Selective Inhibitors of Inositol-Requiring Enzyme 1 alpha Kinase-Endoribonuclease.
J.Med.Chem., 62, 2019
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6G0X
 | | TAILSPIKE PROTEIN OF E. COLI BACTERIOPHAGE HK620 IN COMPLEX WITH PENTASACCHARIDE | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FORMIC ACID, SODIUM ION, ... | | Authors: | Gohlke, U, Broeker, N.K, Seckler, R, Barbirz, S. | | Deposit date: | 2018-03-20 | | Release date: | 2018-04-04 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.41 Å) | | Cite: | Solvent Networks Tune Thermodynamics of Oligosaccharide Complex Formation in an Extended Protein Binding Site.
J. Am. Chem. Soc., 140, 2018
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7RQQ
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6G5Z
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6BV9
 | | Structure of proteinaceous RNase P 1 (PRORP1) from A. thaliana after overnight soak with juglone | | Descriptor: | 5-hydroxynaphthalene-1,4-dione, CHLORIDE ION, Proteinaceous RNase P 1, ... | | Authors: | Karasik, A, Wu, N, Fierke, C.A, Koutmos, M. | | Deposit date: | 2017-12-12 | | Release date: | 2019-06-12 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Inhibition of protein-only RNase P with Gambogic acid and Juglone
To Be Published
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6ZQQ
 | | Structure of the Pmt3-MIR domain with bound ligands | | Descriptor: | GLYCEROL, PMT3 isoform 1 | | Authors: | Wild, K, Chiapparino, A, Hackmann, Y, Mortensen, S, Sinning, I. | | Deposit date: | 2020-07-10 | | Release date: | 2020-12-23 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Functional implications of MIR domains in protein O -mannosylation.
Elife, 9, 2020
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5FJS
 | | Bacterial beta-glucosidase reveals the structural and functional basis of genetic defects in human glucocerebrosidase 2 (GBA2) | | Descriptor: | CALCIUM ION, GLUCOSYLCERAMIDASE | | Authors: | Charoenwattanasatien, R, Pengthaisong, S, Breen, I, Mutoha, R, Sansenya, S, Hua, Y, Tankrathok, A, Wu, L, Songsiriritthigul, C, Tanaka, H, Williams, S.J, Davies, G.J, Kurisu, G, Ketudat Cairns, J.R. | | Deposit date: | 2015-10-12 | | Release date: | 2016-05-11 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Bacterial Beta-Glucosidase Reveals the Structural and Functional Basis of Genetic Defects in Human Glucocerebrosidase 2 (Gba2)
Acs Chem.Biol., 11, 2016
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6HZI
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6G1F
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7R6O
 | | Pyrrolysyl-tRNA synthetase from methanogenic archaeon ISO4-G1 (G1PylRS) | | Descriptor: | 1,2-ETHANEDIOL, Pyrrolysyl-tRNA synthetase PylS, SULFATE ION | | Authors: | Frkic, R.L, Huber, T, Jackson, C.J. | | Deposit date: | 2021-06-23 | | Release date: | 2022-03-02 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Genetic Encoding of Cyanopyridylalanine for In-Cell Protein Macrocyclization by the Nitrile-Aminothiol Click Reaction.
Angew.Chem.Int.Ed.Engl., 61, 2022
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6ZPV
 | | Structure of Unliganded MgGH51 a-L-Arabinofuranosidase Crystal Type 3 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, GLYCEROL, ... | | Authors: | McGregor, N.G.S, Davies, G.J. | | Deposit date: | 2020-07-09 | | Release date: | 2020-11-11 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Structure of a GH51 alpha-L-arabinofuranosidase from Meripilus giganteus: conserved substrate recognition from bacteria to fungi.
Acta Crystallogr D Struct Biol, 76, 2020
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6PF1
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6HZL
 | | Crystal structure of redox-inhibited phosphoribulokinase from Synechococcus sp. (strain PCC 6301), osmate derivative | | Descriptor: | OSMIUM ION, Phosphoribulokinase | | Authors: | Wilson, R.H, Bracher, A, Hartl, F.U, Hayer-Hartl, M. | | Deposit date: | 2018-10-23 | | Release date: | 2019-03-27 | | Last modified: | 2019-04-17 | | Method: | X-RAY DIFFRACTION (2.77 Å) | | Cite: | Crystal structure of phosphoribulokinase from Synechococcus sp. strain PCC 6301.
Acta Crystallogr.,Sect.F, 75, 2019
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7RG8
 | | Crystal Structure of a Stable Heparanase Mutant | | Descriptor: | ACETATE ION, Heparanase 50 kDa subunit, Heparanase 8 kDa subunit, ... | | Authors: | Whitefield, C, Hong, N.S, Jackson, C.J. | | Deposit date: | 2021-07-14 | | Release date: | 2022-03-02 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Computational design and experimental characterisation of a stable human heparanase variant.
Rsc Chem Biol, 3, 2022
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6I02
 | | Structure of human D-glucuronyl C5 epimerase in complex with product | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Debarnot, C, Monneau, Y.R, Roig-Zamboni, V, Le Narvor, C, Goulet, A, Fadel, F, Vives, R.R, Bonnaffe, D, Lortat-Jacob, H, Bourne, Y. | | Deposit date: | 2018-10-24 | | Release date: | 2019-04-03 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Substrate binding mode and catalytic mechanism of human heparan sulfate d-glucuronyl C5 epimerase.
Proc.Natl.Acad.Sci.USA, 116, 2019
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5FNI
 | | Native state mass spectrometry, surface plasmon resonance and X-ray crystallography correlate strongly as a fragment screening combination | | Descriptor: | 5-[[3,4-bis(chloranyl)phenoxy]methyl]-1,2,4-triaza-3-azanidacyclopenta-1,4-diene, CARBONIC ANHYDRASE 2, DIMETHYL SULFOXIDE, ... | | Authors: | Woods, L.A, Dolezal, O, Ren, B, Ryan, J.H, Peat, T.S, Poulsen, S.A. | | Deposit date: | 2015-11-15 | | Release date: | 2016-03-02 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Native State Mass Spectrometry, Surface Plasmon Resonance and X-Ray Crystallography Correlate Strongly as a Fragment Screening Combination.
J.Med.Chem., 59, 2016
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5FRN
 | | Crystal structure of the Prototype Foamy Virus (PFV) intasome in complex with magnesium and the INSTI XZ419 (compound 4c) | | Descriptor: | 4-azanyl-N-[[2,4-bis(fluoranyl)phenyl]methyl]-1-oxidanyl-2-oxidanylidene-6-(5-oxidanylpentyl)-1,8-naphthyridine-3-carboxamide, 5'-D(*AP*TP*TP*GP*TP*CP*AP*TP*GP*GP*AP*AP*TP*TP *TP*CP*GP*CP*A)-3', 5'-D(*TP*GP*CP*GP*AP*AP*AP*TP*TP*CP*CP*AP*TP*GP *AP*CP*A)-3', ... | | Authors: | Maskell, D.P, Pye, V.E, Cherepanov, P. | | Deposit date: | 2015-12-18 | | Release date: | 2016-02-17 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | HIV-1 Integrase Strand Transfer Inhibitors with Reduced Susceptibility to Drug Resistant Mutant Integrases.
Acs Chem.Biol., 11, 2016
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7RQP
 | | Structure of PfCSP NPNV binding antibody L9 | | Descriptor: | L9 Heavy Chain, L9 Kappa Chain | | Authors: | Hurlburt, N.K, Pancera, M. | | Deposit date: | 2021-08-06 | | Release date: | 2022-03-02 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.98 Å) | | Cite: | The light chain of the L9 antibody is critical for binding circumsporozoite protein minor repeats and preventing malaria.
Cell Rep, 38, 2022
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6PFY
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6G48
 | | Sporosarcina pasteurii urease inhibited by silver | | Descriptor: | 1,2-ETHANEDIOL, HYDROXIDE ION, NICKEL (II) ION, ... | | Authors: | Mazzei, L, Cianci, M, Ciurli, S. | | Deposit date: | 2018-03-27 | | Release date: | 2019-01-16 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | The structure of urease inactivated by Ag(i): a new paradigm for enzyme inhibition by heavy metals.
Dalton Trans, 47, 2018
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8R3D
 | | Crystal structure of Pent only at pH 8.8 | | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose, Beta propeller | | Authors: | Flood, R.J, Crowley, P.B. | | Deposit date: | 2023-11-08 | | Release date: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | Multivalent Calixarene Complexation of a Designed Pentameric Lectin.
Biomacromolecules, 25, 2024
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8QKE
 | | PvSub1 Catalytic Domain in Complex with Peptidomimetic Inhibitor (MH-13) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Peptidomimetic Inhibitor (MH-13), ... | | Authors: | Batista, F.A, Martinez, M, Bouillon, A, Mechaly, A, Alzari, P.M, Haouz, A, Barale, J.C. | | Deposit date: | 2023-09-15 | | Release date: | 2024-03-20 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.504 Å) | | Cite: | Insights from structure-activity relationships and the binding mode of peptidic alpha-ketoamide inhibitors of the malaria drug target subtilisin-like SUB1.
Eur.J.Med.Chem., 269, 2024
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