5N5N
 
 | | Cryo-EM structure of tsA201 cell alpha1B and betaI and betaIVb microtubules | | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER, ... | | Authors: | Vemu, A, Atherton, J, Spector, J.O, Moores, C.A, Roll-Mecak, A. | | Deposit date: | 2017-02-14 | | Release date: | 2017-11-01 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (4.2 Å) | | Cite: | Tubulin isoform composition tunes microtubule dynamics.
Mol. Biol. Cell, 28, 2017
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4RG7
 | | Crystal structure of APC3 | | Descriptor: | Cell division cycle protein 27 homolog | | Authors: | Yamaguchi, M, Yu, S, Miller, D.J, Schulman, B.A. | | Deposit date: | 2014-09-29 | | Release date: | 2014-12-24 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (4.25 Å) | | Cite: | Structure of an APC3-APC16 Complex: Insights into Assembly of the Anaphase-Promoting Complex/Cyclosome.
J.Mol.Biol., 427, 2015
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5FGC
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7R60
 | | BTK in complex with 18A | | Descriptor: | 2-(4-phenoxyphenoxy)-5-[(3R)-1-(prop-2-enoyl)piperidin-3-yl]pyridine-3-carboxamide, Tyrosine-protein kinase BTK | | Authors: | Gardberg, A. | | Deposit date: | 2021-06-22 | | Release date: | 2021-10-06 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Discovery of Covalent Bruton's Tyrosine Kinase Inhibitors with Decreased CYP2C8 Inhibitory Activity.
Chemmedchem, 16, 2021
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7R61
 | | BTK in complex with 25A | | Descriptor: | 5-{(3S)-1-[(Z)-iminomethyl]piperidin-3-yl}-2-(4-phenoxyphenoxy)pyridine-3-carboxamide, DIMETHYL SULFOXIDE, Tyrosine-protein kinase BTK | | Authors: | Gardberg, A. | | Deposit date: | 2021-06-22 | | Release date: | 2021-10-06 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | Discovery of Covalent Bruton's Tyrosine Kinase Inhibitors with Decreased CYP2C8 Inhibitory Activity.
Chemmedchem, 16, 2021
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5NPC
 | | Crystal Structure of D412N nucleophile mutant cjAgd31B (alpha-transglucosylase from Glycoside Hydrolase Family 31) in complex with unreacted alpha Cyclophellitol Cyclosulfate probe ME647 | | Descriptor: | (3~{a}~{R},4~{R},5~{S},6~{R},7~{R},7~{a}~{S})-7-(hydroxymethyl)-2,2-bis(oxidanylidene)-3~{a},4,5,6,7,7~{a}-hexahydrobenzo[d][1,3,2]dioxathiole-4,5,6-triol, 1,2-ETHANEDIOL, OXALATE ION, ... | | Authors: | Wu, L, Davies, G.J. | | Deposit date: | 2017-04-16 | | Release date: | 2017-08-09 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | 1,6-Cyclophellitol Cyclosulfates: A New Class of Irreversible Glycosidase Inhibitor.
ACS Cent Sci, 3, 2017
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4RG6
 | | Crystal structure of APC3-APC16 complex | | Descriptor: | Anaphase-promoting complex subunit 16, Cell division cycle protein 27 homolog | | Authors: | Yamaguchi, M, Yu, S, Miller, D.J, Schulman, B.A. | | Deposit date: | 2014-09-29 | | Release date: | 2014-12-24 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Structure of an APC3-APC16 Complex: Insights into Assembly of the Anaphase-Promoting Complex/Cyclosome.
J.Mol.Biol., 427, 2015
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5NRM
 | | Crystal structure of the sixth cohesin from Acetivibrio cellulolyticus' scaffoldin B in complex with Cel5 dockerin S51I, L52N mutant | | Descriptor: | CALCIUM ION, DocCel5: Type I dockerin repeat domain from A. cellulolyticus family 5 endoglucanase WP_010249057 S51I, L52N mutant, ... | | Authors: | Bule, P, Najmudin, S, Fontes, C.M.G.A, Alves, V.D. | | Deposit date: | 2017-04-24 | | Release date: | 2018-01-31 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Structure-function analyses generate novel specificities to assemble the components of multienzyme bacterial cellulosome complexes.
J. Biol. Chem., 293, 2018
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4QRM
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5NA4
 | | NADH:quinone oxidoreductase (NDH-II) from Staphylococcus aureus - E172S mutant | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, NADH dehydrogenase-like protein SAOUHSC_00878 | | Authors: | Brito, J.A, Athayde, D, Sousa, F.M, Sena, F.V, Pereira, M.M, Archer, M. | | Deposit date: | 2017-02-27 | | Release date: | 2018-01-10 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | The key role of glutamate 172 in the mechanism of type II NADH:quinone oxidoreductase of Staphylococcus aureus.
Biochim. Biophys. Acta, 1858, 2017
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5GLB
 | | Crystal structure of the class A beta-lactamase PenL-tTR10 in complex with CBA | | Descriptor: | Beta-lactamase, PINACOL[[2-AMINO-ALPHA-(1-CARBOXY-1-METHYLETHOXYIMINO)-4-THIAZOLEACETYL]AMINO]METHANEBORONATE | | Authors: | Choi, J.M, Yi, H, Kim, H.S, Lee, S.H. | | Deposit date: | 2016-07-10 | | Release date: | 2017-02-15 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | High adaptability of the omega loop underlies the substrate-spectrum-extension evolution of a class A beta-lactamase, PenL
Sci Rep, 6, 2016
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5NPB
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5N1V
 | | Crystal structure of the protein kinase CK2 catalytic subunit in complex with pyrazolo-pyrimidine macrocyclic ligand | | Descriptor: | 1,2-ETHANEDIOL, Casein kinase II subunit alpha, SULFATE ION, ... | | Authors: | Robb, G, Ferguson, A, Hargreaves, D. | | Deposit date: | 2017-02-06 | | Release date: | 2017-05-17 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.52 Å) | | Cite: | Discovery of Pyrazolo[1,5-a]pyrimidine B-Cell Lymphoma 6 (BCL6) Binders and Optimization to High Affinity Macrocyclic Inhibitors.
J. Med. Chem., 60, 2017
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4RG9
 | | Crystal structure of APC3-APC16 complex (Selenomethionine Derivative) | | Descriptor: | Anaphase-promoting complex subunit 16, Cell division cycle protein 27 homolog | | Authors: | Yamaguchi, M, Yu, S, Miller, D.J, Schulman, B.A. | | Deposit date: | 2014-09-29 | | Release date: | 2014-12-24 | | Last modified: | 2017-08-02 | | Method: | X-RAY DIFFRACTION (3.25 Å) | | Cite: | Structure of an APC3-APC16 Complex: Insights into Assembly of the Anaphase-Promoting Complex/Cyclosome.
J.Mol.Biol., 427, 2015
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5E5L
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4P9V
 | | Grb2 SH2 complexed with a pTyr-Ac6cN-Asn tripeptide | | Descriptor: | CHLORIDE ION, Growth factor receptor-bound protein 2, PHQ-PTR-02K-ASN-NH2 | | Authors: | Clements, J.H, Martin, S.F. | | Deposit date: | 2014-04-06 | | Release date: | 2014-06-18 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Protein-ligand interactions: Probing the energetics of a putative cation-pi interaction.
Bioorg.Med.Chem.Lett., 24, 2014
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5NGK
 | | The endo-beta1,6-glucanase BT3312 | | Descriptor: | Glucosylceramidase | | Authors: | Basle, A, Temple, M, Cuskin, F, Lowe, E, Gilbert, H. | | Deposit date: | 2017-03-17 | | Release date: | 2017-05-10 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | A Bacteroidetes locus dedicated to fungal 1,6-beta-glucan degradation: Unique substrate conformation drives specificity of the key endo-1,6-beta-glucanase.
J. Biol. Chem., 292, 2017
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4PM8
 | | Crystal structure of CTX-M-14 S70G:S237A beta-lactamase at 1.17 Angstroms resolution | | Descriptor: | Beta-lactamase CTX-M-14, SULFATE ION | | Authors: | Adamski, C.J, Cardenas, A.M, Sankaran, B, Palzkill, T. | | Deposit date: | 2014-05-20 | | Release date: | 2014-12-31 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.169 Å) | | Cite: | Molecular Basis for the Catalytic Specificity of the CTX-M Extended-Spectrum beta-Lactamases.
Biochemistry, 54, 2015
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5EFD
 | | Crystal structure of a surface pocket creating mutant (W6A) of an alkali thermostable GH10 xylanase from Bacillus sp. NG-27 | | Descriptor: | 1,2-ETHANEDIOL, Beta-xylanase, CHLORIDE ION, ... | | Authors: | Mahanta, P, Bhardwaj, A, Reddy, V.S, Ramakumar, S. | | Deposit date: | 2015-10-23 | | Release date: | 2016-10-26 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.674 Å) | | Cite: | Small Glycols Discover Cryptic Pockets on Proteins for Fragment-Based Approaches.
J.Chem.Inf.Model., 2021
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5NPF
 | | Crystal structure of txGH116 (beta-glucosidase from Thermoanaerobacterium xylolyticum) in complex with beta Cyclophellitol Cyclosulfate probe ME594 | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, Glucosylceramidase, ... | | Authors: | Wu, L, Offen, W.A, Breen, I.Z, Davies, G.J. | | Deposit date: | 2017-04-16 | | Release date: | 2017-08-09 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.38 Å) | | Cite: | 1,6-Cyclophellitol Cyclosulfates: A New Class of Irreversible Glycosidase Inhibitor.
ACS Cent Sci, 3, 2017
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5NOA
 | | Polysaccharide Lyase BACCELL_00875 | | Descriptor: | Family 88 glycosyl hydrolase | | Authors: | Cartmell, A, Munoz-Munoz, J, Terrapon, N, Basle, A, Henrissat, B, Gilbert, H.J. | | Deposit date: | 2017-04-11 | | Release date: | 2017-06-28 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.26 Å) | | Cite: | An evolutionarily distinct family of polysaccharide lyases removes rhamnose capping of complex arabinogalactan proteins.
J. Biol. Chem., 292, 2017
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5NOK
 | | Polysaccharide Lyase BACCELL_00875 | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, BACCELL_00875 | | Authors: | Cartmell, A, Munoz-Munoz, J, Terrapon, N, Basle, A, Henrissat, B, Gilbert, H.J. | | Deposit date: | 2017-04-12 | | Release date: | 2017-06-28 | | Last modified: | 2017-08-23 | | Method: | X-RAY DIFFRACTION (2.24 Å) | | Cite: | An evolutionarily distinct family of polysaccharide lyases removes rhamnose capping of complex arabinogalactan proteins.
J. Biol. Chem., 292, 2017
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4RCP
 | | Crystal structure of Plk1 Polo-box domain in complex with PL-2 | | Descriptor: | 1,2-ETHANEDIOL, PL-2, Serine/threonine-protein kinase PLK1 | | Authors: | Lee, W.C, Song, J.H, Kim, H.Y. | | Deposit date: | 2014-09-16 | | Release date: | 2014-11-12 | | Last modified: | 2015-01-21 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | A new class of peptidomimetics targeting the polo-box domain of polo-like kinase 1.
J.Med.Chem., 58, 2015
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5NGQ
 | | Bicyclic antimicrobial peptides | | Descriptor: | 3,7-anhydro-2,8-dideoxy-L-glycero-D-gluco-octonic acid, CALCIUM ION, DLS-PRO-ALD-CYS-TYD-ALA-CYD-LYS-ALA, ... | | Authors: | Di Bonaventura, I, Jin, X, Visini, R, Michaud, G, Robadey, M, Koehler, T, van Delden, C, Stocker, A, Darbre, T, Reymond, J.-L. | | Deposit date: | 2017-03-20 | | Release date: | 2017-08-23 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.17 Å) | | Cite: | Chemical space guided discovery of antimicrobial bridged bicyclic peptides against Pseudomonas aeruginosa and its biofilms.
Chem Sci, 8, 2017
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4PMA
 | | Crystal structure of CTX-M-14 S70G:S237A:R276A beta-lactamase at 1.39 Angstroms resolution | | Descriptor: | Beta-lactamase CTX-M-14, SULFATE ION | | Authors: | Cardenas, A.M, Adamski, C.J, Brown, N.G, Horton, L.B, Sankaran, B, Palzkill, T. | | Deposit date: | 2014-05-20 | | Release date: | 2014-12-31 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.399 Å) | | Cite: | Molecular Basis for the Catalytic Specificity of the CTX-M Extended-Spectrum beta-Lactamases.
Biochemistry, 54, 2015
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