6YRC
 
 | | Spectroscopically-validated structure of DtpB from Streptomyces lividans in the ferric state | | Descriptor: | 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Lucic, M, Dworkowski, F.S.N, Worrall, J.A.R, Hough, M.A. | | Deposit date: | 2020-04-20 | | Release date: | 2021-01-13 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Serial Femtosecond Zero Dose Crystallography Captures a Water-Free Distal Heme Site in a Dye-Decolorising Peroxidase to Reveal a Catalytic Role for an Arginine in Fe IV =O Formation.
Angew.Chem.Int.Ed.Engl., 59, 2020
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6YR4
 | | Dye-type peroxidase DtpB in the ferryl state: Spectroscopically Validated composite structure | | Descriptor: | MAGNESIUM ION, OXYGEN ATOM, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Lucic, M, Dworkowski, F.S.N, Worrall, J.A.R, Hough, M.A. | | Deposit date: | 2020-04-19 | | Release date: | 2021-01-13 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Serial Femtosecond Zero Dose Crystallography Captures a Water-Free Distal Heme Site in a Dye-Decolorising Peroxidase to Reveal a Catalytic Role for an Arginine in Fe IV =O Formation.
Angew.Chem.Int.Ed.Engl., 59, 2020
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6YRJ
 | | SFX structure of dye-type peroxidase DtpB in the ferric state | | Descriptor: | MAGNESIUM ION, PROTOPORPHYRIN IX CONTAINING FE, Putative iron-dependent peroxidase | | Authors: | Lucic, M, Axford, D.A, Owen, R.L, Worrall, J.A.R, Hough, M.A. | | Deposit date: | 2020-04-20 | | Release date: | 2021-01-13 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Serial Femtosecond Zero Dose Crystallography Captures a Water-Free Distal Heme Site in a Dye-Decolorising Peroxidase to Reveal a Catalytic Role for an Arginine in Fe IV =O Formation.
Angew.Chem.Int.Ed.Engl., 59, 2020
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6TB8
 | | Dye Type Peroxidase Aa from Streptomyces lividans: spectroscopically-validated ferric state | | Descriptor: | Deferrochelatase/peroxidase, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Lucic, M, Moreno-Chicano, T.M, Hough, M.A, Dworkowski, F.S.N, Worrall, J.A.R. | | Deposit date: | 2019-11-01 | | Release date: | 2020-04-08 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | A subtle structural change in the distal haem pocket has a remarkable effect on tuning hydrogen peroxide reactivity in dye decolourising peroxidases from Streptomyces lividans.
Dalton Trans, 49, 2020
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6UAE
 | | Ketosteroid isomerase (C. testosteroni) with truncated & designed loop for precise positioning of a catalytic E38 | | Descriptor: | (3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-24-OIC ACID, EQUILENIN, Ketosteroid isomerase with designed loop, ... | | Authors: | Krivacic, C, Kundert, K, Thompson, M.C, Fraser, J.S, Kortemme, T. | | Deposit date: | 2019-09-10 | | Release date: | 2020-09-16 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Ketosteroid isomerase (C. testosteroni) with truncated & designed loop for precise positioning of a catalytic E38
To Be Published
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6TI9
 | | Human transthyretin (TTR) complexed with (E)-3-(((3,5-dibromo-2-hydroxybenzylidene)amino)oxy)propanoic acid. | | Descriptor: | 3-[(~{E})-[3,5-bis(bromanyl)-2-oxidanyl-phenyl]methylideneamino]oxypropanoic acid, GLYCEROL, S-1,2-PROPANEDIOL, ... | | Authors: | Ciccone, L, Nencetti, S, Orlandini, E, Rossello, A, Legrand, P, Shepard, W. | | Deposit date: | 2019-11-22 | | Release date: | 2020-10-21 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Monoaryl derivatives as transthyretin fibril formation inhibitors: Design, synthesis, biological evaluation and structural analysis.
Bioorg.Med.Chem., 28, 2020
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6TJN
 | | Human transthyretin (TTR) complexed with (E)-3-(((4-hydroxybenzylidene)amino)oxy)propanoic acid | | Descriptor: | 3-[(~{E})-(4-hydroxyphenyl)methylideneamino]oxypropanoic acid, Transthyretin | | Authors: | Ciccone, L, Shepard, W, Nencetti, S, Orlandini, E, Rossello, A. | | Deposit date: | 2019-11-26 | | Release date: | 2020-12-16 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.702 Å) | | Cite: | Monoaryl derivatives as transthyretin fibril formation inhibitors: Design, synthesis, biological evaluation and structural analysis.
Bioorg.Med.Chem., 28, 2020
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2V0B
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8QJ0
 | | Room-temperature Serial Synchrotron Crystallography structure of Spinacia oleracea RuBisCO | | Descriptor: | MAGNESIUM ION, Ribulose bisphosphate carboxylase large chain, Ribulose bisphosphate carboxylase small subunit, ... | | Authors: | Bjelcic, M, Neutze, R, Aurelius, O, Nan, J, Ursby, T. | | Deposit date: | 2023-09-12 | | Release date: | 2024-05-29 | | Last modified: | 2024-07-03 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Room-temperature serial synchrotron crystallography structure of Spinacia oleracea RuBisCO.
Acta Crystallogr.,Sect.F, 80, 2024
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8OPC
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8OPG
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8OPD
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8OPL
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8OPJ
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8OPH
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8OPB
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3KLK
 | | Crystal structure of Lactobacillus reuteri N-terminally truncated glucansucrase GTF180 in triclinic apo- form | | Descriptor: | CALCIUM ION, GLYCEROL, Glucansucrase | | Authors: | Vujicic-Zagar, A, Pijning, T, Kralj, S, Eeuwema, W, Dijkhuizen, L, Dijkstra, B.W. | | Deposit date: | 2009-11-08 | | Release date: | 2010-11-03 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Crystal structure of a 117 kDa glucansucrase fragment provides insight into evolution and product specificity of GH70 enzymes
Proc.Natl.Acad.Sci.USA, 107, 2010
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3DTI
 | | Crystal structure of the IRRE protein, a central regulator of DNA damage repair in deinococcaceae | | Descriptor: | IRRE protein, ZINC ION | | Authors: | Vujicic-Zagar, A, Dulermo, R, Le Gorrec, M, Vannier, F, Servant, P, Sommer, S, De Groot, A, Serre, L. | | Deposit date: | 2008-07-15 | | Release date: | 2009-02-10 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Crystal structure of the IrrE protein, a central regulator of DNA damage repair in deinococcaceae
J.Mol.Biol., 386, 2009
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3DTK
 | | Crystal structure of the IRRE protein, a central regulator of DNA damage repair in deinococcaceae | | Descriptor: | CHLORIDE ION, IRRE PROTEIN, ZINC ION | | Authors: | Vujicic-Zagar, A, Dulermo, R, Le Gorrec, M, Vannier, F, Servant, P, Sommer, S, de Groot, A, Serre, L. | | Deposit date: | 2008-07-15 | | Release date: | 2009-02-17 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (3.24 Å) | | Cite: | Crystal structure of the IrrE protein, a central regulator of DNA damage repair in deinococcaceae
J.Mol.Biol., 386, 2009
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3DTE
 | | Crystal structure of the IRRE protein, a central regulator of DNA damage repair in deinococcaceae | | Descriptor: | IrrE protein | | Authors: | Vujicic-Zagar, A, Dulermo, R, Le Gorrec, M, Vannier, F, Servant, P, Sommer, S, De Groot, A, Serre, L. | | Deposit date: | 2008-07-15 | | Release date: | 2009-02-10 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal structure of the IrrE protein, a central regulator of DNA damage repair in deinococcaceae
J.Mol.Biol., 386, 2009
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3KLL
 | | Crystal structure of Lactobacillus reuteri N-terminally truncated glucansucrase GTF180-maltose complex | | Descriptor: | CALCIUM ION, GLYCEROL, Glucansucrase, ... | | Authors: | Vujicic-Zagar, A, Pijning, T, Kralj, S, Eeuwema, W, Dijkhuizen, L, Dijkstra, B.W. | | Deposit date: | 2009-11-08 | | Release date: | 2010-11-03 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of a 117 kDa glucansucrase fragment provides insight into evolution and product specificity of GH70 enzymes
Proc.Natl.Acad.Sci.USA, 107, 2010
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8C18
 | | Solution structure of carotenoid-binding protein AstaPo1 in complex with astaxanthin | | Descriptor: | ASTAXANTHIN, Astaxanthin binding fasciclin family protein | | Authors: | Kornilov, F.D, Savitskaya, A.G, Slonimskiy, Y.B, Goncharuk, S.A, Sluchanko, N.N, Mineev, K.S. | | Deposit date: | 2022-12-20 | | Release date: | 2023-04-05 | | Last modified: | 2024-06-19 | | Method: | SOLUTION NMR | | Cite: | Structural basis for the ligand promiscuity of the neofunctionalized, carotenoid-binding fasciclin domain protein AstaP.
Commun Biol, 6, 2023
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3HZ3
 | | Lactobacillus reuteri N-terminally truncated glucansucrase GTF180(D1025N)-sucrose complex | | Descriptor: | CALCIUM ION, Glucansucrase, beta-D-fructofuranose-(2-1)-alpha-D-glucopyranose | | Authors: | Vujicic-Zagar, A, Pijning, T, Kralj, S, Eeuwema, W, Dijkhuizen, L, Dijkstra, B.W. | | Deposit date: | 2009-06-23 | | Release date: | 2010-06-30 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | Crystal structure of a 117 kDa glucansucrase fragment provides insight into evolution and product specificity of GH70 enzymes
Proc.Natl.Acad.Sci.USA, 107, 2010
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5E4O
 | | Human transthyretin (TTR) complexed with (Z)-((3,4-Dichloro-phenyl)-methyleneaminooxy)-acetic acid | | Descriptor: | ({(Z)-[(3,4-dichlorophenyl)(phenyl)methylidene]amino}oxy)acetic acid, Transthyretin | | Authors: | Ciccone, L, Savko, M, Nencetti, S, Rossello, A, Orlandini, E, Stura, E.A. | | Deposit date: | 2015-10-06 | | Release date: | 2016-03-23 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Synthesis and structural analysis of halogen substituted fibril formation inhibitors of Human Transthyretin (TTR).
J Enzyme Inhib Med Chem, 31, 2016
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6Y6J
 | | VIM-2 in Complex with Biapenem Imine and Enamine Hydrolysis Products | | Descriptor: | Biapenem Enamine hydrolysis product, Biapenem Imine hydrolysis product, CHLORIDE ION, ... | | Authors: | Lucic, A, Schofield, C.J, Brem, J, McDonough, M.A. | | Deposit date: | 2020-02-26 | | Release date: | 2021-03-31 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structure of metallo-beta-lactamase VIM-2 in complex with the imine and enamine form of hydrolysed Biapenem
To Be Published
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