8OGZ
 
 | | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry D06 | | Descriptor: | (3-methoxyphenyl)-pyrrol-1-yl-methanone, Cyclic di-AMP synthase CdaA, MAGNESIUM ION | | Authors: | Garbers, T.B, Neumann, P, Wollenhaupt, J, Weiss, M.S, Ficner, R. | | Deposit date: | 2023-03-20 | | Release date: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.14 Å) | | Cite: | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry D06
To Be Published
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8OGT
 | | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry C04 | | Descriptor: | 2-hydrazinyl-4-methoxypyrimidine, Cyclic di-AMP synthase CdaA, MAGNESIUM ION | | Authors: | Garbers, T.B, Neumann, P, Wollenhaupt, J, Weiss, M.S, Ficner, R. | | Deposit date: | 2023-03-20 | | Release date: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry C04
To Be Published
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8OGP
 | | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry B03 | | Descriptor: | 2-[(1~{S})-1-azanylpropyl]phenol, Cyclic di-AMP synthase CdaA, MAGNESIUM ION | | Authors: | Garbers, T.B, Neumann, P, Wollenhaupt, J, Weiss, M.S, Ficner, R. | | Deposit date: | 2023-03-20 | | Release date: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.22 Å) | | Cite: | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry B03
To Be Published
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8OGQ
 | | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry B06 | | Descriptor: | (1S)-1-(4-nitrophenyl)ethan-1-ol, Cyclic di-AMP synthase CdaA, MAGNESIUM ION | | Authors: | Garbers, T.B, Neumann, P, Wollenhaupt, J, Weiss, M.S, Ficner, R. | | Deposit date: | 2023-03-20 | | Release date: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry B06
To Be Published
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8OH1
 | | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry E04 | | Descriptor: | 3-phenyl-1,2-oxazol-5-amine, Cyclic di-AMP synthase CdaA, MAGNESIUM ION | | Authors: | Garbers, T.B, Neumann, P, Wollenhaupt, J, Weiss, M.S, Ficner, R. | | Deposit date: | 2023-03-20 | | Release date: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.22 Å) | | Cite: | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry E04
To Be Published
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8OGR
 | | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry B07 | | Descriptor: | Cyclic di-AMP synthase CdaA, MAGNESIUM ION, N-[3-(diethylamino)phenyl]ethanamide | | Authors: | Garbers, T.B, Neumann, P, Wollenhaupt, J, Weiss, M.S, Ficner, R. | | Deposit date: | 2023-03-20 | | Release date: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry B07
To Be Published
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8OGY
 | | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry D04 | | Descriptor: | Cyclic di-AMP synthase CdaA, MAGNESIUM ION, methyl 4-fluoro-L-phenylalaninate | | Authors: | Garbers, T.B, Neumann, P, Wollenhaupt, J, Weiss, M.S, Ficner, R. | | Deposit date: | 2023-03-20 | | Release date: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.23 Å) | | Cite: | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry D04
To Be Published
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6QG9
 | | Crystal structure of Ideonella sakaiensis MHETase | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, CALCIUM ION, ... | | Authors: | Palm, G.J, Reisky, L, Boettcher, D, Mueller, H, Michels, E.A.P, Walczak, C, Berndt, L, Weiss, M.S, Bornscheuer, U.T, Weber, G. | | Deposit date: | 2019-01-10 | | Release date: | 2019-04-03 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Structure of the plastic-degrading Ideonella sakaiensis MHETase bound to a substrate.
Nat Commun, 10, 2019
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6QGA
 | | Crystal structure of Ideonella sakaiensis MHETase bound to the non-hydrolyzable ligand MHETA | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 4-(2-hydroxyethylcarbamoyl)benzoic acid, CALCIUM ION, ... | | Authors: | Palm, G.J, Reisky, L, Boettcher, D, Mueller, H, Michels, E.A.P, Walczak, C, Berndt, L, Weiss, M.S, Bornscheuer, U.T, Weber, G. | | Deposit date: | 2019-01-10 | | Release date: | 2019-04-03 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure of the plastic-degrading Ideonella sakaiensis MHETase bound to a substrate.
Nat Commun, 10, 2019
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6QGC
 | | PETase from Ideonella sakaiensis without ligand | | Descriptor: | CHLORIDE ION, Poly(ethylene terephthalate) hydrolase, SULFATE ION | | Authors: | Palm, G.J, Reisky, L, Boettcher, D, Mueller, H, Michels, E.A.P, Walczak, C, Berndt, L, Weiss, M.S, Bornscheuer, U.T, Weber, G. | | Deposit date: | 2019-01-10 | | Release date: | 2019-04-03 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure of the plastic-degrading Ideonella sakaiensis MHETase bound to a substrate.
Nat Commun, 10, 2019
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6QGB
 | | Crystal structure of Ideonella sakaiensis MHETase bound to benzoic acid | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, BENZOIC ACID, CALCIUM ION, ... | | Authors: | Palm, G.J, Reisky, L, Boettcher, D, Mueller, H, Michels, E.A.P, Walczak, C, Berndt, L, Weiss, M.S, Bornscheuer, U.T, Weber, G. | | Deposit date: | 2019-01-10 | | Release date: | 2019-04-03 | | Last modified: | 2019-04-24 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure of the plastic-degrading Ideonella sakaiensis MHETase bound to a substrate.
Nat Commun, 10, 2019
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6QSB
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6QSC
 | | Crystal Structure of Arg470His mutant of Human Prolidase with Mn ions and GlyPro ligand | | Descriptor: | GLYCEROL, GLYCINE, MANGANESE (II) ION, ... | | Authors: | Wilk, P, Wator, E, Weiss, M.S. | | Deposit date: | 2019-02-20 | | Release date: | 2020-03-18 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.569 Å) | | Cite: | Structural analysis of new compound heterozygous variants in PEPD gene identified in a patient with Prolidase Deficiency diagnosed by exome sequencing.
Genet Mol Biol, 44, 2021
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6TC2
 | | Monoclinic human insulin in complex with p-coumaric acid | | Descriptor: | 4'-HYDROXYCINNAMIC ACID, Insulin, PHOSPHATE ION, ... | | Authors: | Triandafillidis, D.-P, Parthenios, N, Spiliopoulou, M, Valmas, A, Kosinas, C, Gozzo, F, Reinle-Schmitt, M, Beckers, D, Degen, T, Pop, M, Fitch, A, Wollenhaupt, J, Weiss, M.S, Karavassili, F, Margiolaki, I. | | Deposit date: | 2019-11-04 | | Release date: | 2020-11-11 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.36 Å) | | Cite: | Insulin polymorphism induced by two polyphenols: new crystal forms and advances in macromolecular powder diffraction.
Acta Crystallogr D Struct Biol, 76, 2020
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6TTO
 | | N-terminally truncated hyoscyamine 6-hydroxylase (tH6H) in complex with 2-oxoglutarate | | Descriptor: | 1,2-ETHANEDIOL, 2-OXOGLUTARIC ACID, FORMIC ACID, ... | | Authors: | Kluza, A, Mrugala, B, Porebski, P.J, Kurpiewska, K, Niedzialkowska, E, Weiss, M.S, Borowski, T. | | Deposit date: | 2019-12-29 | | Release date: | 2020-03-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.31 Å) | | Cite: | Regioselectivity of hyoscyamine 6 beta-hydroxylase-catalysed hydroxylation as revealed by high-resolution structural information and QM/MM calculations.
Dalton Trans, 49, 2020
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6TTN
 | | N-terminally truncated hyoscyamine 6-hydroxylase (tH6H) in complex with N-oxalylglycine and hyoscyamine | | Descriptor: | 1,2-ETHANEDIOL, Hyoscyamine 6 beta-hydroxylase, N-OXALYLGLYCINE, ... | | Authors: | Kluza, A, Mrugala, B, Porebski, P.J, Kurpiewska, K, Niedzialkowska, E, Weiss, M.S, Borowski, T. | | Deposit date: | 2019-12-29 | | Release date: | 2020-03-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.12 Å) | | Cite: | Regioselectivity of hyoscyamine 6 beta-hydroxylase-catalysed hydroxylation as revealed by high-resolution structural information and QM/MM calculations.
Dalton Trans, 49, 2020
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4Y38
 | | Endothiapepsin in complex with fragment B29 | | Descriptor: | ACETATE ION, DIMETHYL SULFOXIDE, Endothiapepsin, ... | | Authors: | Huschmann, F.U, Linnik, J, Weiss, M.S, Mueller, U. | | Deposit date: | 2015-02-10 | | Release date: | 2016-03-02 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Structures of endothiapepsin-fragment complexes from crystallographic fragment screening using a novel, diverse and affordable 96-compound fragment library.
Acta Crystallogr.,Sect.F, 72, 2016
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4Y4G
 | | Endothiapepsin in complex with fragment B53 | | Descriptor: | ACETATE ION, DIMETHYL SULFOXIDE, Endothiapepsin, ... | | Authors: | Huschmann, F.U, Linnik, J, Weiss, M.S, Mueller, U. | | Deposit date: | 2015-02-10 | | Release date: | 2016-02-17 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.439 Å) | | Cite: | Structures of endothiapepsin-fragment complexes from crystallographic fragment screening using a novel, diverse and affordable 96-compound fragment library.
Acta Crystallogr.,Sect.F, 72, 2016
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4Y3Y
 | | Endothiapepsin in complex with fragment B42 | | Descriptor: | 2-AMINO-4-METHYL-PENTAN-1-OL, ACETATE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Huschmann, F.U, Linnik, J, Weiss, M.S, Mueller, U. | | Deposit date: | 2015-02-10 | | Release date: | 2016-02-17 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.346 Å) | | Cite: | Structures of endothiapepsin-fragment complexes from crystallographic fragment screening using a novel, diverse and affordable 96-compound fragment library.
Acta Crystallogr.,Sect.F, 72, 2016
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4Y3J
 | | Endothiapepsin in complex with fragment B30 | | Descriptor: | 4-METHYL-HISTIDINE, ACETATE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Huschmann, F.U, Linnik, J, Weiss, M.S, Mueller, U. | | Deposit date: | 2015-02-10 | | Release date: | 2016-02-17 | | Last modified: | 2016-05-11 | | Method: | X-RAY DIFFRACTION (1.31 Å) | | Cite: | Structures of endothiapepsin-fragment complexes from crystallographic fragment screening using a novel, diverse and affordable 96-compound fragment library.
Acta Crystallogr.,Sect.F, 72, 2016
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4Y48
 | | Endothiapepsin in complex with fragment B50 | | Descriptor: | ACETATE ION, DIMETHYL SULFOXIDE, Endothiapepsin, ... | | Authors: | Huschmann, F.U, Linnik, J, Weiss, M.S, Mueller, U. | | Deposit date: | 2015-02-10 | | Release date: | 2016-02-17 | | Last modified: | 2016-05-11 | | Method: | X-RAY DIFFRACTION (1.249 Å) | | Cite: | Structures of endothiapepsin-fragment complexes from crystallographic fragment screening using a novel, diverse and affordable 96-compound fragment library.
Acta Crystallogr.,Sect.F, 72, 2016
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4Y4J
 | | Endothiapepsin in complex with fragment B97 | | Descriptor: | ACETATE ION, DIMETHYL SULFOXIDE, Endothiapepsin, ... | | Authors: | Huschmann, F.U, Linnik, J, Weiss, M.S, Mueller, U. | | Deposit date: | 2015-02-10 | | Release date: | 2016-02-17 | | Last modified: | 2016-05-11 | | Method: | X-RAY DIFFRACTION (1.03 Å) | | Cite: | Structures of endothiapepsin-fragment complexes from crystallographic fragment screening using a novel, diverse and affordable 96-compound fragment library.
Acta Crystallogr.,Sect.F, 72, 2016
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4Y4D
 | | Endothiapepsin in complex with fragment B51 | | Descriptor: | ACETATE ION, CAFFEINE, DIMETHYL SULFOXIDE, ... | | Authors: | Huschmann, F.U, Linnik, J, Weiss, M.S, Mueller, U. | | Deposit date: | 2015-02-10 | | Release date: | 2016-02-17 | | Last modified: | 2016-05-11 | | Method: | X-RAY DIFFRACTION (1.269 Å) | | Cite: | Structures of endothiapepsin-fragment complexes from crystallographic fragment screening using a novel, diverse and affordable 96-compound fragment library.
Acta Crystallogr.,Sect.F, 72, 2016
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4ZE6
 | | Endothiapepsin in complex with fragment B39 | | Descriptor: | 1,2-ETHANEDIOL, 7-aminoheptanoic acid, ACETATE ION, ... | | Authors: | Huschmann, F.U, Linnik, J, Weiss, M.S, Mueller, U. | | Deposit date: | 2015-04-20 | | Release date: | 2016-05-04 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.17 Å) | | Cite: | Structures of endothiapepsin-fragment complexes from crystallographic fragment screening using a novel, diverse and affordable 96-compound fragment library.
Acta Crystallogr.,Sect.F, 72, 2016
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4ZEA
 | | Endothiapepsin in complex with fragment B91 | | Descriptor: | 1,2-ETHANEDIOL, 2-IMINOBIOTIN, ACETATE ION, ... | | Authors: | Huschmann, F.U, Linnik, J, Weiss, M.S, Mueller, U. | | Deposit date: | 2015-04-20 | | Release date: | 2016-05-04 | | Last modified: | 2016-05-11 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Structures of endothiapepsin-fragment complexes from crystallographic fragment screening using a novel, diverse and affordable 96-compound fragment library.
Acta Crystallogr.,Sect.F, 72, 2016
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