4FM7
 
 | | Crystal Structure of BACE with Compound 14g | | Descriptor: | 4-{[(5R,7S)-1-(3-fluorophenyl)-3,7-dimethyl-2,2-dioxido-2-thia-1,3,8-triazaspiro[4.5]dec-8-yl]methyl}-2-(propan-2-yloxy)phenol, Beta-secretase 1, ZINC ION | | Authors: | Vajdos, F.F, Varghese, A.H. | | Deposit date: | 2012-06-15 | | Release date: | 2012-10-03 | | Last modified: | 2013-06-19 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | Spirocyclic sulfamides as beta-secretase 1 (BACE-1) inhibitors for the treatment of Alzheimer's disease: utilization of structure based drug design, WaterMap, and CNS penetration studies to identify centrally efficacious inhibitors.
J.Med.Chem., 55, 2012
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5LM8
 | | Crystal structure of a laccase-like multicopper oxidase McoG from from Aspergillus niger | | Descriptor: | 'Multicopper oxidase, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Ferraroni, M, Briganti, F, Tamayo-Ramos, J.A, van Berkel, W.J.H, Westphal, A.H. | | Deposit date: | 2016-07-29 | | Release date: | 2017-05-03 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structure and function of Aspergillus niger laccase McoG
Biocatalysis, 2017
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5O1J
 | | Lytic transglycosylase in action | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-1,6-anhydro-N-acetyl-beta-D-glucopyranosamine, Putative soluble lytic murein transglycosylase, ZINC ION | | Authors: | Williams, A.H, Rateau, L, Hoauz, A, Boneca, I.G. | | Deposit date: | 2017-05-18 | | Release date: | 2018-03-14 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | A step-by-stepin crystalloguide to bond cleavage and 1,6-anhydro-sugar product synthesis by a peptidoglycan-degrading lytic transglycosylase.
J. Biol. Chem., 293, 2018
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5LWJ
 | | Solution NMR structure of the GTP binding Class II RNA aptamer-ligand-complex containing a protonated adenine nucleotide with a highly shifted pKa. | | Descriptor: | GTP Class II RNA (34-MER), GUANOSINE-5'-TRIPHOSPHATE | | Authors: | Wolter, A.C, Weickhmann, A.K, Nasiri, A.H, Hantke, K, Ohlenschlaeger, O, Wunderlich, C.H, Kreutz, C, Duchardt-Ferner, E, Woehnert, J. | | Deposit date: | 2016-09-17 | | Release date: | 2016-12-14 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | A Stably Protonated Adenine Nucleotide with a Highly Shifted pKa Value Stabilizes the Tertiary Structure of a GTP-Binding RNA Aptamer.
Angew. Chem. Int. Ed. Engl., 56, 2017
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5M5H
 | | RIBOSOME-BOUND YIDC INSERTASE | | Descriptor: | Membrane protein insertase YidC | | Authors: | Kedrov, A, Wickles, S, Crevenna, A.H, van der Sluis, E, Buschauer, R, Berninghausen, O, Lamb, D.C, Beckmann, R. | | Deposit date: | 2016-10-21 | | Release date: | 2016-12-14 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (4.5 Å) | | Cite: | Structural Dynamics of the YidC:Ribosome Complex during Membrane Protein Biogenesis.
Cell Rep, 17, 2016
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5O2N
 | | Lytic transglycosylase in action | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose, CITRATE ANION, ... | | Authors: | Williams, A.H, Hoauz, A, Boneca, I.G. | | Deposit date: | 2017-05-22 | | Release date: | 2018-03-14 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.513 Å) | | Cite: | A step-by-stepin crystalloguide to bond cleavage and 1,6-anhydro-sugar product synthesis by a peptidoglycan-degrading lytic transglycosylase.
J. Biol. Chem., 293, 2018
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5NX2
 | | Crystal structure of thermostabilised full-length GLP-1R in complex with a truncated peptide agonist at 3.7 A resolution | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Glucagon-like peptide 1 receptor, ... | | Authors: | Rappas, M, Jazayeri, A, Brown, A.J.H, Kean, J, Errey, J.C, Robertson, N, Fiez-Vandal, C, Andrews, S.P, Congreve, M, Bortolato, A, Mason, J.S, Baig, A.H, Teobald, I, Dore, A.S, Weir, M, Cooke, R.M, Marshall, F.H. | | Deposit date: | 2017-05-09 | | Release date: | 2017-06-14 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (3.7 Å) | | Cite: | Crystal structure of the GLP-1 receptor bound to a peptide agonist.
Nature, 546, 2017
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8Q68
 | | Crystal structure of TEAD1-YBD in complex with irreversible compound SWTX-143 | | Descriptor: | Transcriptional enhancer factor TEF-1, ~{N}-[(3~{S})-5-azanyl-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2~{H}-quinolin-3-yl]propanamide | | Authors: | Ciesielski, F, Spieser, S.A.H, Marchand, A, Gwaltney, S.L. | | Deposit date: | 2023-08-11 | | Release date: | 2023-10-04 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | A Novel Irreversible TEAD Inhibitor, SWTX-143, Blocks Hippo Pathway Transcriptional Output and Causes Tumor Regression in Preclinical Mesothelioma Models.
Mol.Cancer Ther., 23, 2024
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5MPQ
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8OTK
 | | Structure of ClpC Q11P N-terminal Domain | | Descriptor: | ATP-dependent Clp protease ATP-binding subunit ClpC / Negative regulator of tic competence clcC/mecB, CARBONATE ION, GLYCEROL, ... | | Authors: | Evans, N.J, Isaacson, R.L, Camp, A.H. | | Deposit date: | 2023-04-21 | | Release date: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | A novel ClpC-ClpP adaptor protein that functions in the developing Bacillus subtilis spore
To Be Published
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5LWX
 | | Crystal structure of the H253D mutant of McoG from Aspergillus niger | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, COPPER (II) ION, ... | | Authors: | Ferraroni, M, Briganti, F, Tamayo-Ramos, J.A, van Berkel, W.J.H, Westphal, A.H. | | Deposit date: | 2016-09-19 | | Release date: | 2017-05-03 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | Structure and function of Aspergillus niger laccase McoG
Biocatalysis, 2017
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6JP7
 | | Human antibody 32D6 Fab in complex with PEG | | Descriptor: | (2R)-3-(cyclohexylamino)-2-hydroxypropane-1-sulfonic acid, HEXAETHYLENE GLYCOL, immunoglobulin Fab heavy chain, ... | | Authors: | Lee, C.C, Ko, T.P, Lin, L.L, Wang, A.H.J. | | Deposit date: | 2019-03-26 | | Release date: | 2020-02-05 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.909 Å) | | Cite: | Structural basis of polyethylene glycol recognition by antibody.
J.Biomed.Sci., 27, 2020
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5O29
 | | Lytic transglycosylase in action | | Descriptor: | Transglycosylase | | Authors: | Williams, A.H, Hoauz, A, Boneca, I.G. | | Deposit date: | 2017-05-19 | | Release date: | 2018-03-14 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.3785 Å) | | Cite: | A step-by-stepin crystalloguide to bond cleavage and 1,6-anhydro-sugar product synthesis by a peptidoglycan-degrading lytic transglycosylase.
J. Biol. Chem., 293, 2018
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6H5F
 | | LtgA disordered Helix | | Descriptor: | Putative soluble lytic murein transglycosylase | | Authors: | Williams, A.H. | | Deposit date: | 2018-07-24 | | Release date: | 2019-08-28 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Defective lytic transglycosylase disrupts cell morphogenesis by hindering cell wall de-O-acetylation inNeisseria meningitidis.
Elife, 9, 2020
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8SJF
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8S9F
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8S93
 | | Crystal structure of the PH-TH/kinase complex of Bruton's tyrosine kinase | | Descriptor: | 2-[3'-(hydroxymethyl)-1-methyl-5-({5-[(2S)-2-methyl-4-(oxetan-3-yl)piperazin-1-yl]pyridin-2-yl}amino)-6-oxo[1,6-dihydro[3,4'-bipyridine]]-2'-yl]-7,7-dimethyl-3,4,7,8-tetrahydro-2H-cyclopenta[4,5]pyrrolo[1,2-a]pyrazin-1(6H)-one, GLYCEROL, Tyrosine-protein kinase BTK, ... | | Authors: | Lin, D.Y, Andreotti, A.H. | | Deposit date: | 2023-03-27 | | Release date: | 2023-08-16 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Conformational heterogeneity of the BTK PHTH domain drives multiple regulatory states.
Elife, 12, 2024
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5O2O
 | | Lytic transglycosylase in action | | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Transglycosylase | | Authors: | Williams, A.H, Hoauz, A, Boneca, I.G. | | Deposit date: | 2017-05-22 | | Release date: | 2018-06-13 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.43 Å) | | Cite: | Lytic transglycosylase in action
To Be Published
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5O24
 | | Lytic transglycosylase in action | | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Transglycosylase | | Authors: | Williams, A.H, Hoauz, A, Boneca, I.G. | | Deposit date: | 2017-05-19 | | Release date: | 2018-03-14 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.429 Å) | | Cite: | A step-by-stepin crystalloguide to bond cleavage and 1,6-anhydro-sugar product synthesis by a peptidoglycan-degrading lytic transglycosylase.
J. Biol. Chem., 293, 2018
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5LWW
 | | Crystal structure of a laccase-like multicopper oxidase McoG from Aspergillus niger bound to zinc | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ... | | Authors: | Ferraroni, M, Briganti, F, Tamayo-Ramos, J.A, van Berkel, W.J.H, Westphal, A.H. | | Deposit date: | 2016-09-19 | | Release date: | 2017-05-03 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Structure and function of Aspergillus niger laccase McoG
Biocatalysis, 2017
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6JU0
 | | Mouse antibody 3.3 Fab in complex with PEG | | Descriptor: | 2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXYL, 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, Fab heavy chain, ... | | Authors: | Lee, C.C, Ko, T.P, Lin, L.L, Wang, A.H.J. | | Deposit date: | 2019-04-12 | | Release date: | 2020-02-05 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.601 Å) | | Cite: | Structural basis of polyethylene glycol recognition by antibody.
J.Biomed.Sci., 27, 2020
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6JXG
 | | Crystasl Structure of Beta-glucosidase D2-BGL from Chaetomella Raphigera | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-glucosidase, alpha-D-mannopyranose | | Authors: | Wang, A.H.-J, Lee, C.C, Kao, M.R, Ho, T.H.D. | | Deposit date: | 2019-04-23 | | Release date: | 2019-11-20 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Chaetomella raphigerabeta-glucosidase D2-BGL has intriguing structural features and a high substrate affinity that renders it an efficient cellulase supplement for lignocellulosic biomass hydrolysis.
Biotechnol Biofuels, 12, 2019
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6JWC
 | | Mouse antibody 2B5 Fab in complex with PEG | | Descriptor: | 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, DI(HYDROXYETHYL)ETHER, DODECAETHYLENE GLYCOL, ... | | Authors: | Lee, C.C, Ko, T.P, Su, Y.C, Lin, L.L, Roffler, S.R, Wang, A.H.J. | | Deposit date: | 2019-04-19 | | Release date: | 2020-02-05 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.297 Å) | | Cite: | Structural basis of polyethylene glycol recognition by antibody.
J.Biomed.Sci., 27, 2020
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2FRI
 | | Horse Heart Myoglobin, Nitrite Adduct, Co-crystallized | | Descriptor: | Myoglobin, NITRITE ION, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Copeland, D.M, Soares, A.S, West, A.H, Richter-Addo, G.B. | | Deposit date: | 2006-01-19 | | Release date: | 2006-05-30 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal structures of the nitrite and nitric oxide complexes of horse heart myoglobin.
J.Inorg.Biochem., 100, 2006
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2FR5
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