6F8Z
 
 | | Structure of the family GH92 alpha-mannosidase BT3130 from Bacteroides thetaiotaomicron | | Descriptor: | 1,2-ETHANEDIOL, Alpha-1,2-mannosidase, putative, ... | | Authors: | Thompson, A.J, Spears, R.J, Zhu, Y, Suits, M.D.L, Williams, S.J, Gilbert, H.J, Davies, G.J. | | Deposit date: | 2017-12-13 | | Release date: | 2018-05-02 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Bacteroides thetaiotaomicron generates diverse alpha-mannosidase activities through subtle evolution of a distal substrate-binding motif.
Acta Crystallogr D Struct Biol, 74, 2018
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5FMV
 | | Crystal structure of human CD45 extracellular region, domains d1-d4 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, RECEPTOR-TYPE TYROSINE-PROTEIN PHOSPHATASE C, SULFATE ION | | Authors: | Chang, V.T, Fernandes, R.A, Ganzinger, K.A, Lee, S.F, Siebold, C, McColl, J, Jonsson, P, Palayret, M, Harlos, K, Coles, C.H, Jones, E.Y, Lui, Y, Huang, E, Gilbert, R.J.C, Klenerman, D, Aricescu, A.R, Davis, S.J. | | Deposit date: | 2015-11-09 | | Release date: | 2016-03-23 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Initiation of T Cell Signaling by Cd45 Segregation at 'Close Contacts'.
Nat.Immunol., 17, 2016
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5FN6
 | | Crystal structure of human CD45 extracellular region, domains d1-d3 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, RECEPTOR-TYPE TYROSINE-PROTEIN PHOSPHATASE C | | Authors: | Chang, V.T, Fernandes, R.A, Ganzinger, K.A, Lee, S.F, Siebold, C, McColl, J, Jonsson, P, Palayret, M, Harlos, K, Coles, C.H, Jones, E.Y, Lui, Y, Huang, E, Gilbert, R.J.C, Klenerman, D, Aricescu, A.R, Davis, S.J. | | Deposit date: | 2015-11-10 | | Release date: | 2016-03-23 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Initiation of T Cell Signaling by Cd45 Segregation at 'Close Contacts'.
Nat.Immunol., 17, 2016
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6S8G
 | | Cryo-EM structure of LptB2FGC in complex with AMP-PNP | | Descriptor: | Inner membrane protein yjgQ, LPS export ABC transporter permease LptF, Lipopolysaccharide ABC transporter, ... | | Authors: | Tang, X.D, Chang, S.H, Luo, Q.H, Zhang, Z.Y, Qiao, W, Xu, C.H, Zhang, C.B, Niu, Y, Yang, W.X, Wang, T, Zhang, Z.B, Zhu, X.F, Dong, C.J, Zhang, X, Dong, H.H. | | Deposit date: | 2019-07-10 | | Release date: | 2019-09-25 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Cryo-EM structures of lipopolysaccharide transporter LptB2FGC in lipopolysaccharide or AMP-PNP-bound states reveal its transport mechanism.
Nat Commun, 10, 2019
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5C8C
 | | Crystal structure of recombinant coxsackievirus A16 capsid | | Descriptor: | CHLORIDE ION, POTASSIUM ION, STEARIC ACID, ... | | Authors: | Ren, J, Wang, X, Zhu, L, Hu, Z, Gao, Q, Yang, P, Li, X, Wang, J, Shen, X, Fry, E.E, Rao, Z, Stuart, D.I. | | Deposit date: | 2015-06-25 | | Release date: | 2015-09-30 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structures of Coxsackievirus A16 Capsids with Native Antigenicity: Implications for Particle Expansion, Receptor Binding, and Immunogenicity.
J.Virol., 89, 2015
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6S8S
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8P2S
 | | Cryo-EM structure of the anaerobic ribonucleotide reductase from Prevotella copri in its dimeric, ATP/dTTP/GTP-bound state | | Descriptor: | Anaerobic ribonucleoside-triphosphate reductase, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Bimai, O, Banerjee, I, Sjoberg, B.M, Logan, D.T. | | Deposit date: | 2023-05-16 | | Release date: | 2023-09-13 | | Method: | ELECTRON MICROSCOPY (2.4 Å) | | Cite: | Activity modulation in anaerobic ribonucleotide reductase: nucleotide binding to the ATP-cone mediates long-range order-disorder transitions in the active site
eLife, 2023
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2RI8
 | | Penicillium citrinum alpha-1,2-mannosidase complex with glycerol | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, GLYCEROL, ... | | Authors: | Lobsanov, Y.D, Yoshida, T, Desmet, T, Nerinckx, W, Yip, P, Claeyssens, M, Herscovics, A, Howell, P.L. | | Deposit date: | 2007-10-10 | | Release date: | 2008-03-25 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.16 Å) | | Cite: | Modulation of activity by Arg407: structure of a fungal alpha-1,2-mannosidase in complex with a substrate analogue.
Acta Crystallogr.,Sect.D, 64, 2008
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6IC7
 | | Human cathepsin-C in complex with dipeptidyl cyclopropyl nitrile inhibitor 3 | | Descriptor: | 1-azanyl-~{N}-[(1~{R},2~{R})-1-cyano-2-[4-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]phenyl]cyclopropyl]cyclohexane-1-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | | Authors: | Hakansson, M, Logan, D.T, Korkmaz, B, Lesner, A, Wysocka, M, Gieldon, A, Gauthier, F, Jenne, D, Lauritzen, C, Pedersen, J. | | Deposit date: | 2018-12-02 | | Release date: | 2019-04-24 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure-based design and in vivo anti-arthritic activity evaluation of a potent dipeptidyl cyclopropyl nitrile inhibitor of cathepsin C.
Biochem. Pharmacol., 164, 2019
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5K5Y
 | | Crystal structure of truncated FlgD (monoclinic form) from the human pathogen Helicobacter pylori (strain 26695) | | Descriptor: | Basal-body rod modification protein FlgD | | Authors: | Kekez, I, Cendron, L, Stojanovic, M, Zanotti, G, Matkovic-Calogovic, D. | | Deposit date: | 2016-05-24 | | Release date: | 2016-12-21 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Structure and Stability of FlgD from the Pathogenic 26695 Strain of Helicobacter pylori
Croatica Chemica Acta, 2016
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5CDO
 | | 3.15A structure of QPT-1 with S.aureus DNA gyrase and DNA | | Descriptor: | (2R,4S,4aS)-4',6'-dihydroxy-2,4-dimethyl-8-nitro-1,2,4,4a-tetrahydro-2'H,6H-spiro[1,4-oxazino[4,3-a]quinoline-5,5'-pyrimidin]-2'-one, (2R,4S,4aS,5R)-6'-hydroxy-2,4-dimethyl-8-nitro-1,2,4,4a-tetrahydro-2'H,6H-spiro[1,4-oxazino[4,3-a]quinoline-5,5'-pyrimidine]-2',4'(3'H)-dione, (2R,4S,4aS,5S)-6'-hydroxy-2,4-dimethyl-8-nitro-1,2,4,4a-tetrahydro-2'H,6H-spiro[1,4-oxazino[4,3-a]quinoline-5,5'-pyrimidine]-2',4'(3'H)-dione, ... | | Authors: | Bax, B.D, Srikannathasan, V, Chan, P.F. | | Deposit date: | 2015-07-04 | | Release date: | 2015-12-16 | | Method: | X-RAY DIFFRACTION (3.15 Å) | | Cite: | Structural basis of DNA gyrase inhibition by antibacterial QPT-1, anticancer drug etoposide and moxifloxacin.
Nat Commun, 6, 2015
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8P2D
 | | Cryo-EM structure of the dimeric form of the anaerobic ribonucleotide reductase from Prevotella copri produced in the presence of dATP and CTP | | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, Anaerobic ribonucleoside-triphosphate reductase, MAGNESIUM ION | | Authors: | Banerjee, I, Bimai, O, Sjoberg, B.M, Logan, D.T. | | Deposit date: | 2023-05-15 | | Release date: | 2023-09-13 | | Method: | ELECTRON MICROSCOPY (2.59 Å) | | Cite: | Activity modulation in anaerobic ribonucleotide reductase: nucleotide binding to the ATP-cone mediates long-range order-disorder transitions in the active site
eLife, 2023
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7SU9
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8P39
 | | Cryo-EM structure of the anaerobic ribonucleotide reductase from Prevotella copri in its dimeric, dGTP/ATP-bound state | | Descriptor: | 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Anaerobic ribonucleoside-triphosphate reductase, ... | | Authors: | Bimai, O, Banerjee, I, Sjoberg, B.M, Logan, D.T. | | Deposit date: | 2023-05-17 | | Release date: | 2023-09-13 | | Method: | ELECTRON MICROSCOPY (2.58 Å) | | Cite: | Activity modulation in anaerobic ribonucleotide reductase: nucleotide binding to the ATP-cone mediates long-range order-disorder transitions in the active site
To be published
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7T7H
 | | Crystal structure of Vaccinia Virus decapping enzyme D9 in complex with inhibitor CP100356 | | Descriptor: | 4-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-6,7-dimethoxyquinazolin-2-amine, DNA repair NTP-phosphohydrolase, SODIUM ION | | Authors: | Peters, J.K, Gross, J.D. | | Deposit date: | 2021-12-15 | | Release date: | 2022-06-15 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.78000259 Å) | | Cite: | Fluorescence-Based Activity Screening Assay Reveals Small Molecule Inhibitors of Vaccinia Virus mRNA Decapping Enzyme D9.
Acs Chem.Biol., 17, 2022
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6C2T
 | | Aurora A ligand complex | | Descriptor: | (2S,4R)-1-[(3-chloro-2-fluorophenyl)methyl]-2-methyl-4-({3-[(1,3-thiazol-2-yl)amino]isoquinolin-1-yl}methyl)piperidine-4-carboxylic acid, Aurora kinase A, DIMETHYL SULFOXIDE, ... | | Authors: | Antonysamy, S, Pustilnik, A, Manglicmot, D, Froning, K, Weichert, K, Wasserman, S. | | Deposit date: | 2018-01-08 | | Release date: | 2019-01-23 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Aurora A Kinase Inhibition Is Synthetic Lethal with Loss of theRB1Tumor Suppressor Gene.
Cancer Discov, 9, 2019
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8P24
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6V0L
 | | PDGFR-b Promoter Forms a G-Vacancy Quadruplex that Can be Complemented by dGMP: Molecular Structure and Recognition of Guanine Derivatives and Metabolites | | Descriptor: | 2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE, DNA (5'-D(*(3D1)P*AP*GP*GP*GP*AP*GP*GP*GP*CP*GP*GP*CP*GP*GP*GP*AP*CP*A)-3') | | Authors: | Wang, K.B, Dickerhoff, J, Wu, G, Yang, D. | | Deposit date: | 2019-11-18 | | Release date: | 2020-03-11 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | PDGFR-beta Promoter Forms a Vacancy G-Quadruplex that Can Be Filled in by dGMP: Solution Structure and Molecular Recognition of Guanine Metabolites and Drugs.
J.Am.Chem.Soc., 142, 2020
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6XI3
 | | Crystal structure of tetra-tandem repeat in extending region of large adhesion protein | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Ye, Q, Vance, T.D.R, Davies, P.L. | | Deposit date: | 2020-06-19 | | Release date: | 2020-10-14 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Essential role of calcium in extending RTX adhesins to their target.
J Struct Biol X, 4, 2020
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7OE7
 | | Apo-structure of Lassa virus L protein (well-resolved alpha ribbon) [APO-RIBBON] | | Descriptor: | MAGNESIUM ION, RNA-directed RNA polymerase L, ZINC ION | | Authors: | Kouba, T, Vogel, D, Thorkelsson, S, Quemin, E, Williams, H.M, Milewski, M, Busch, C, Gunther, S, Grunewald, K, Rosenthal, M, Cusack, S. | | Deposit date: | 2021-05-01 | | Release date: | 2021-12-01 | | Last modified: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (3.73 Å) | | Cite: | Conformational changes in Lassa virus L protein associated with promoter binding and RNA synthesis activity.
Nat Commun, 12, 2021
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5DKQ
 | | Crystal Structure of Calcium-loaded S100B bound to SBi4214 | | Descriptor: | 2,2'-[pentane-1,5-diylbis(oxybenzene-4,1-diyl)]di-1,4,5,6-tetrahydropyrimidine, CALCIUM ION, Protein S100-B | | Authors: | Cavalier, M.C, Ansari, M.I, Pierce, A.D, Wilder, P.T, McKnight, L.E, Raman, E.P, Neau, D.B, Bezawada, P, Alasady, M.J, Varney, K.M, Toth, E.A, MacKerell Jr, A.D, Coop, A, Weber, D.J. | | Deposit date: | 2015-09-03 | | Release date: | 2016-01-20 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.591 Å) | | Cite: | Small Molecule Inhibitors of Ca(2+)-S100B Reveal Two Protein Conformations.
J.Med.Chem., 59, 2016
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6FII
 | | Tubulin-Spongistatin complex | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, DIMETHYL SULFOXIDE, ... | | Authors: | Menchon, G, Prota, A.E, Lucena Angell, D, Bucher, P, Mueller, R, Paterson, I, Diaz, J.F, Altmann, K.-H, Steinmetz, M.O. | | Deposit date: | 2018-01-18 | | Release date: | 2018-05-30 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.405 Å) | | Cite: | A fluorescence anisotropy assay to discover and characterize ligands targeting the maytansine site of tubulin.
Nat Commun, 9, 2018
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7OCH
 | | Apo-structure of Lassa virus L protein (well-resolved polymerase core) [APO-CORE] | | Descriptor: | MAGNESIUM ION, RNA-directed RNA polymerase L, ZINC ION | | Authors: | Kouba, T, Vogel, D, Thorkelsson, S, Quemin, E, Williams, H.M, Milewski, M, Busch, C, Gunther, S, Grunewald, K, Rosenthal, M, Cusack, S. | | Deposit date: | 2021-04-26 | | Release date: | 2021-12-01 | | Last modified: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (3.14 Å) | | Cite: | Conformational changes in Lassa virus L protein associated with promoter binding and RNA synthesis activity.
Nat Commun, 12, 2021
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5UGP
 | | DNA polymerase beta complex with a 1nt gap and dCMPPNP | | Descriptor: | 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]cytidine, DNA (5'-D(*CP*CP*GP*AP*CP*GP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*C)-3'), ... | | Authors: | Freudenthal, B.D, Wilson, S.H, Beard, W.A. | | Deposit date: | 2017-01-09 | | Release date: | 2017-07-26 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.955 Å) | | Cite: | Modulating the DNA polymerase beta reaction equilibrium to dissect the reverse reaction.
Nat. Chem. Biol., 13, 2017
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5DKW
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