7PP8
 
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4ER4
 | | HIGH-RESOLUTION X-RAY ANALYSES OF RENIN INHIBITOR-ASPARTIC PROTEINASE COMPLEXES | | Descriptor: | ENDOTHIAPEPSIN, H-142 | | Authors: | Foundling, S.I, Watson, F.E, Szelke, M, Blundell, T.L. | | Deposit date: | 1991-01-05 | | Release date: | 1991-04-15 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | High resolution X-ray analyses of renin inhibitor-aspartic proteinase complexes.
Nature, 327, 1987
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7PDS
 | | The structure of PriRep1 with dsDNA | | Descriptor: | MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Similar to D. nodosus vapE, ... | | Authors: | Qiao, C.C, Mir Sanchis, I. | | Deposit date: | 2021-08-06 | | Release date: | 2022-07-13 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (3.14 Å) | | Cite: | Staphylococcal self-loading helicases couple the staircase mechanism with inter domain high flexibility.
Nucleic Acids Res., 50, 2022
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7BGU
 | | Mason-Pfizer Monkey Virus Protease mutant C7A/D26N/C106A in complex with peptidomimetic inhibitor | | Descriptor: | Gag-Pro-Pol polyprotein, PENTAETHYLENE GLYCOL, peptidomimetic inhibitor | | Authors: | Wosicki, S, Gilski, M, Kazmierczyk, M, Jaskolski, M, Zabranska, H, Pichova, I. | | Deposit date: | 2021-01-08 | | Release date: | 2021-12-15 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.433 Å) | | Cite: | Crystal structures of inhibitor complexes of M-PMV protease with visible flap loops.
Protein Sci., 30, 2021
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7NRB
 | | Re-refinement of MK3-inhibitor complex | | Descriptor: | 2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE, MAP kinase-activated protein kinase 3 | | Authors: | Croll, T.I, Read, R.J. | | Deposit date: | 2021-03-03 | | Release date: | 2022-01-12 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Adaptive Cartesian and torsional restraints for interactive model rebuilding.
Acta Crystallogr D Struct Biol, 77, 2021
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6VK2
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6FMH
 | | Crystal structure of the membrane attack complex assembly inhibitor BGA71 from Lyme disease agent Borreliella bavariensis (Native data) | | Descriptor: | membrane attack complex assembly inhibitor BGA71 | | Authors: | Brangulis, K, Akopjana, I, Petrovskis, I, Kazaks, A, Tars, K. | | Deposit date: | 2018-01-31 | | Release date: | 2018-08-08 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal structure of the membrane attack complex assembly inhibitor BGA71 from the Lyme disease agent Borrelia bavariensis.
Sci Rep, 8, 2018
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6WFX
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6T2P
 | | Prominent members of the human gut microbiota express endo-acting O-glycanases to initiate mucin breakdown | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, Glycosyl hydrolase family 16 | | Authors: | Crouch, L.I, Liberato, M.V, Ubranowicz, P.A, Basle, A, Lamb, C.A, Cooke, K, Doona, M, Needham, S, Brady, R.R, Berrington, J.E, Madubic, K, Chater, P, Zhang, F, Linhardt, R.J, Spence, D.I.R, Bolam, D.N. | | Deposit date: | 2019-10-09 | | Release date: | 2020-07-08 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Prominent members of the human gut microbiota express endo-acting O-glycanases to initiate mucin breakdown.
Nat Commun, 11, 2020
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6WO4
 | | Structure of Hepatitis C Virus Envelope Glycoprotein E2 core from genotype 6a bound to broadly neutralizing antibody HC11 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein E2, ... | | Authors: | Tzarum, N, Wilson, I.A, Law, M. | | Deposit date: | 2020-04-24 | | Release date: | 2020-08-19 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.349 Å) | | Cite: | An alternate conformation of HCV E2 neutralizing face as an additional vaccine target.
Sci Adv, 6, 2020
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6FZE
 | | BBE31 from Lyme disease agent Borrelia (Borreliella) burgdorferi playing a vital role in successful colonization of the mammalian host (native data) | | Descriptor: | GLUTATHIONE, Putative surface protein, SULFATE ION | | Authors: | Brangulis, K, Akopjana, I, Petrovskis, I, Kazaks, A, Tars, K. | | Deposit date: | 2018-03-14 | | Release date: | 2019-03-27 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | BBE31 from the Lyme disease agent Borrelia burgdorferi, known to play an important role in successful colonization of the mammalian host, shows the ability to bind glutathione.
Biochim Biophys Acta Gen Subj, 1864, 2019
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4NV4
 | | 1.8 Angstrom Crystal Structure of Signal Peptidase I from Bacillus anthracis. | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Signal peptidase I, ... | | Authors: | Minasov, G, Shuvalova, L, Dubrovska, I, Winsor, J, Shatsman, S, Kwon, K, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2013-12-04 | | Release date: | 2013-12-18 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | 1.8 Angstrom Crystal Structure of Signal Peptidase I from Bacillus anthracis.
TO BE PUBLISHED
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6WG0
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7NXG
 | | Wax synthase 1 from Acinetobacter baylyi (AbWSD1) co-crystallized with myristic acid | | Descriptor: | MYRISTIC ACID, O-acyltransferase WSD | | Authors: | Vollheyde, K, Kuehnel, K, Lambrecht, F, Kawelke, S, Herrfurth, C, Feussner, I. | | Deposit date: | 2021-03-18 | | Release date: | 2022-03-30 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Crystal Structure of the Bifunctional Wax Synthase 1 from Acinetobacter baylyi Suggests a Conformational Change upon Substrate Binding and Formation of Additional Substrate Binding Sites
Acs Catalysis, 12, 2022
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7PQH
 | | Cryo-EM structure of Saccharomyces cerevisiae TOROID (TORC1 Organized in Inhibited Domains). | | Descriptor: | Serine/threonine-protein kinase TOR2, Target of rapamycin complex 1 subunit KOG1,Target of rapamycin complex 1 subunit Kog1, Target of rapamycin complex subunit LST8 | | Authors: | Felix, J, Prouteau, M, Bourgoint, C, Bonadei, L, Desfosses, A, Gabus, C, Sadian, Y, Savvides, S.N, Gutsche, I, Loewith, R. | | Deposit date: | 2021-09-17 | | Release date: | 2023-01-18 | | Last modified: | 2023-03-29 | | Method: | ELECTRON MICROSCOPY (3.87 Å) | | Cite: | EGOC inhibits TOROID polymerization by structurally activating TORC1.
Nat.Struct.Mol.Biol., 30, 2023
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5BVK
 | | Fragment-based discovery of potent and selective DDR1/2 inhibitors | | Descriptor: | 1-(2-chlorophenyl)-3-(pyridin-3-ylmethyl)urea, Epithelial discoidin domain-containing receptor 1, IODIDE ION | | Authors: | Murray, C, Berdini, V, Buck, I, Carr, M, Cleasby, A, Coyle, J, Curry, J, Day, J, Hearn, K, Iqbal, A, Lee, L, Martins, V, Mortenson, P, Munck, J, Page, L, Patel, S, Roomans, S, Kirsten, T, Saxty, G. | | Deposit date: | 2015-06-05 | | Release date: | 2015-08-05 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | Fragment-Based Discovery of Potent and Selective DDR1/2 Inhibitors.
Acs Med.Chem.Lett., 6, 2015
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5BVO
 | | Fragment-based discovery of potent and selective DDR1/2 inhibitors | | Descriptor: | Epithelial discoidin domain-containing receptor 1, IODIDE ION, N-(5-{(1S)-1-[(5-fluoro-1,3-benzoxazol-2-yl)amino]ethyl}-2-methylphenyl)imidazo[1,2-a]pyridine-3-carboxamide | | Authors: | Murray, C, Berdini, V, Buck, I, Carr, M, Cleasby, A, Coyle, J, Curry, J, Day, J, Hearn, K, Iqbal, A, Lee, L, Martins, V, Mortenson, P, Munck, J, Page, L, Patel, S, Roomans, S, Kirsten, T, Saxty, G. | | Deposit date: | 2015-06-05 | | Release date: | 2015-08-05 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Fragment-Based Discovery of Potent and Selective DDR1/2 Inhibitors.
Acs Med.Chem.Lett., 6, 2015
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6WMV
 | | Structure of a phosphatidylinositol-phosphate synthase (PIPS) from Mycobacterium kansasii with evidence of substrate binding | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 3,3',3''-phosphanetriyltripropanoic acid, AfCTD-Phosphatidylinositol-phosphate synthase (PIPS) fusion, ... | | Authors: | Belcher Dufrisne, M, Jorge, C.D, Timoteo, C.G, Petrou, V.I, Ashraf, K.U, Banerjee, S, Clarke, O.B, Santos, H, Mancia, F. | | Deposit date: | 2020-04-21 | | Release date: | 2020-05-27 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.142 Å) | | Cite: | Structural and Functional Characterization of Phosphatidylinositol-Phosphate Biosynthesis in Mycobacteria.
J.Mol.Biol., 432, 2020
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6WXP
 | | De novo TIM barrel-ferredoxin fold fusion homodimer with 4-glutamate centre TFD-EE | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, TFD-EE | | Authors: | Caldwell, S.J, Zeymer, C, Haydon, I.C, Huang, P, Hilvert, D, Baker, D. | | Deposit date: | 2020-05-11 | | Release date: | 2020-11-25 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Tight and specific lanthanide binding in a de novo TIM barrel with a large internal cavity designed by symmetric domain fusion.
Proc.Natl.Acad.Sci.USA, 117, 2020
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6WY4
 | | Crystal Structure of Wild Type Class D beta-lactamase from Clostridium difficile 630 | | Descriptor: | Beta-lactamase, DI(HYDROXYETHYL)ETHER, SODIUM ION | | Authors: | Minasov, G, Shuvalova, L, Dubrovska, I, Rosas-Lemus, M, Jedrzejczak, R, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2020-05-12 | | Release date: | 2020-05-27 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal Structure of Wild Type Class D beta-lactamase from Clostridium difficile 630
To Be Published
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8I86
 | | Crystal structure of Cph001-D189N in complex with GTP | | Descriptor: | DI(HYDROXYETHYL)ETHER, GUANOSINE-5'-TRIPHOSPHATE, Viomycin kinase | | Authors: | Chang, C.Y, Toh, S.I, Elaine K, J, Hsiao, P.Y. | | Deposit date: | 2023-02-03 | | Release date: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.23 Å) | | Cite: | Discovery and characterization of genes conferring natural resistance to the antituberculosis antibiotic capreomycin.
Commun Biol, 6, 2023
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5BVW
 | | Fragment-based discovery of potent and selective DDR1/2 inhibitors | | Descriptor: | Epithelial discoidin domain-containing receptor 1, IODIDE ION, N-(2-CHLORO-6-METHYLPHENYL)-2-({6-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]-2-METHYLPYRIMIDIN-4-YL}AMINO)-1,3-THIAZOLE-5-CARBOXAMIDE | | Authors: | Murray, C, Berdini, V, Buck, I, Carr, M, Cleasby, A, Coyle, J, Curry, J, Day, J, Hearn, K, Iqbal, A, Lee, L, Martins, V, Mortenson, P, Munck, J, Page, L, Patel, S, Roomans, S, Kirsten, T, Saxty, G. | | Deposit date: | 2015-06-05 | | Release date: | 2015-08-05 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Fragment-Based Discovery of Potent and Selective DDR1/2 Inhibitors.
Acs Med.Chem.Lett., 6, 2015
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5JUL
 | | Near atomic structure of the Dark apoptosome | | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, Apaf-1 related killer DARK | | Authors: | Cheng, T.C, Akey, I.V, Yuan, S, Yu, Z, Ludtke, S.J, Akey, C.W. | | Deposit date: | 2016-05-10 | | Release date: | 2017-02-22 | | Last modified: | 2019-12-25 | | Method: | ELECTRON MICROSCOPY (4.4 Å) | | Cite: | A Near-Atomic Structure of the Dark Apoptosome Provides Insight into Assembly and Activation.
Structure, 25, 2017
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5K8A
 | | NIST FAB | | Descriptor: | Heavy chain, humanized Fab Lite chain | | Authors: | Gallagher, D.T, Galvin, C.V, Karageorgos, I, Marino, J.P. | | Deposit date: | 2016-05-27 | | Release date: | 2017-08-09 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.999 Å) | | Cite: | Data on crystal organization in the structure of the Fab fragment from the NIST reference antibody, RM 8671.
Data Brief, 16, 2018
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6T2Q
 | | Prominent members of the human gut microbiota express endo-acting O-glycanases to initiate mucin breakdown | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, Glycosyl hydrolase family 16, ... | | Authors: | Crouch, L.I, Liberato, M.V, Ubranowicz, P.A, Basle, A, Lamb, C.A, Cooke, K, Doona, M, Needham, S, Brady, R.R, Berrington, J.E, Madubic, K, Chater, P, Zhang, F, Linhardt, R.J, Spence, D.I.R, Bolam, D.N. | | Deposit date: | 2019-10-09 | | Release date: | 2020-07-08 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Prominent members of the human gut microbiota express endo-acting O-glycanases to initiate mucin breakdown.
Nat Commun, 11, 2020
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