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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2VK8
| Crystal structure of the Saccharomyces cerevisiae pyruvate decarboxylase variant E477Q in complex with its substrate | Descriptor: | (2S)-2-HYDROXYPROPANOIC ACID, MAGNESIUM ION, PYRUVATE DECARBOXYLASE ISOZYME 1, ... | Authors: | Kutter, S, Weik, M, Weiss, M.S, Konig, S. | Deposit date: | 2007-12-17 | Release date: | 2009-01-27 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Covalently Bound Substrate at the Regulatory Site of Yeast Pyruvate Decarboxylases Triggers Allosteric Enzyme Activation. J.Biol.Chem., 284, 2009
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3FSY
| Structure of tetrahydrodipicolinate N-succinyltransferase (Rv1201c;DapD) in complex with succinyl-CoA from Mycobacterium tuberculosis | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ACETIC ACID, MAGNESIUM ION, ... | Authors: | Schuldt, L, Weyand, S, Kefala, G, Weiss, M.S. | Deposit date: | 2009-01-12 | Release date: | 2009-06-23 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | The three-dimensional Structure of a mycobacterial DapD provides insights into DapD diversity and reveals unexpected particulars about the enzymatic mechanism. J.Mol.Biol., 389, 2009
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2VK1
| Crystal structure of the Saccharomyces cerevisiae pyruvate decarboxylase variant D28A in complex with its substrate | Descriptor: | MAGNESIUM ION, PYRUVATE DECARBOXYLASE ISOZYME 1, PYRUVIC ACID, ... | Authors: | Kutter, S, Weik, M, Weiss, M.S, Konig, S. | Deposit date: | 2007-12-16 | Release date: | 2009-01-27 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Covalently Bound Substrate at the Regulatory Site of Yeast Pyruvate Decarboxylases Triggers Allosteric Enzyme Activation. J.Biol.Chem., 284, 2009
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2YIL
| Crystal Structure of Parasite Sarcocystis muris Lectin SML-2 | Descriptor: | CHLORIDE ION, GLYCEROL, MICRONEME ANTIGEN L2, ... | Authors: | Mueller, J.J, Weiss, M.S, Heinemann, U. | Deposit date: | 2011-05-16 | Release date: | 2011-11-02 | Last modified: | 2019-07-17 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Pan-Modular Structure of Microneme Protein Sml-2 from Parasite Sarcocystis Muris at 1.95 A Resolution and its Complex with 1-Thio-Beta-D-Galactose. Acta Crystallogr.,Sect.D, D67, 2011
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3FSX
| Structure of tetrahydrodipicolinate N-succinyltransferase (Rv1201c; DapD) from Mycobacterium tuberculosis | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ACETIC ACID, MAGNESIUM ION, ... | Authors: | Schuldt, L, Weyand, S, Kefala, G, Weiss, M.S. | Deposit date: | 2009-01-12 | Release date: | 2009-06-23 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | The three-dimensional Structure of a mycobacterial DapD provides insights into DapD diversity and reveals unexpected particulars about the enzymatic mechanism. J.Mol.Biol., 389, 2009
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2XYO
| Structural basis for a new tetracycline resistance mechanism relying on the TetX monooxygenase | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, SULFATE ION, ... | Authors: | Volkers, G, Palm, G.J, Weiss, M.S, Hinrichs, W. | Deposit date: | 2010-11-18 | Release date: | 2011-03-23 | Last modified: | 2019-07-17 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural Basis for a New Tetracycline Resistance Mechanism Relying on the Tetx Monooxygenase. FEBS Lett., 585, 2011
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3HFW
| Crystal Structure of human ADP-ribosylhydrolase 1 (hARH1) | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Mueller-Dieckmann, C, Weiss, M.S, Mueller-Dieckmann, J, Koch-Nolte, F. | Deposit date: | 2009-05-13 | Release date: | 2010-05-26 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Crystal Structure of human ADP-ribosylhydrolase 1 To be Published
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1JCV
| REDUCED BRIDGE-BROKEN YEAST CU/ZN SUPEROXIDE DISMUTASE LOW TEMPERATURE (-180C) STRUCTURE | Descriptor: | COPPER (II) ION, CU/ZN SUPEROXIDE DISMUTASE, ZINC ION | Authors: | Ogihara, N.L, Parge, H.E, Hart, P.J, Weiss, M.S, Valentine, J.S, Eisenberg, D.S, Tainer, J.A. | Deposit date: | 1995-12-07 | Release date: | 1996-03-08 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Unusual trigonal-planar copper configuration revealed in the atomic structure of yeast copper-zinc superoxide dismutase. Biochemistry, 35, 1996
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8PH4
| Co-Crystal structure of the SARS-CoV2 main protease Nsp5 with an Uracil-carrying X77-like inhibitor | Descriptor: | 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, MALONATE ION, ... | Authors: | Barthel, T, Altincekic, N, Jores, N, Wollenhaupt, J, Weiss, M.S, Schwalbe, H. | Deposit date: | 2023-06-18 | Release date: | 2024-01-31 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Targeting the Main Protease (M pro , nsp5) by Growth of Fragment Scaffolds Exploiting Structure-Based Methodologies. Acs Chem.Biol., 19, 2024
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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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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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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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2ILL
| Anomalous substructure of Titin-A168169 | Descriptor: | CHLORIDE ION, Titin | Authors: | Mueller-Dieckmann, C, Weiss, M.S. | Deposit date: | 2006-10-03 | Release date: | 2007-02-20 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | On the routine use of soft X-rays in macromolecular crystallography. Part IV. Efficient determination of anomalous substructures in biomacromolecules using longer X-ray wavelengths ACTA CRYSTALLOGR.,SECT.D, 63, 2007
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7QG7
| SARS-CoV-2 macrodomain Nsp3b bound to the remdesivir nucleoside GS-441524 | Descriptor: | (2~{R},3~{R},4~{S},5~{R})-2-(4-azanylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolane-2-carbonitrile, 1,2-ETHANEDIOL, Papain-like protease nsp3 | Authors: | Wollenhaupt, J, Linhard, V, Sreeramulu, S, Weiss, M.S, Schwalbe, H. | Deposit date: | 2021-12-07 | Release date: | 2021-12-15 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Binding Adaptation of GS-441524 Diversifies Macro Domains and Downregulates SARS-CoV-2 de-MARylation Capacity. J.Mol.Biol., 434, 2022
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1YL6
| crystal structure of Mycobacterium tuberculosis dihydrodipicolinate reductase (Rv2773c) (crystal form B) | Descriptor: | Dihydrodipicolinate reductase, MAGNESIUM ION | Authors: | Janowski, R, Kefala, G, Weiss, M.S, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2005-01-19 | Release date: | 2006-01-17 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | The structure of dihydrodipicolinate reductase (DapB) from Mycobacterium tuberculosis in three crystal forms. Acta Crystallogr.,Sect.D, 66, 2010
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1YL5
| Crystal structure of Mycobacterium tuberculosis dihydrodipicolinate reductase (RV2773C) (crystal form A) | Descriptor: | Dihydrodipicolinate reductase, MAGNESIUM ION | Authors: | Janowski, R, Kefala, G, Weiss, M.S, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2005-01-19 | Release date: | 2006-01-17 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The structure of dihydrodipicolinate reductase (DapB) from Mycobacterium tuberculosis in three crystal forms. Acta Crystallogr.,Sect.D, 66, 2010
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2A5W
| Crystal structure of the oxidized gamma-subunit of the dissimilatory sulfite reductase (DsrC) from Archaeoglobus fulgidus | Descriptor: | SULFATE ION, sulfite reductase, desulfoviridin-type subunit gamma (dsvC) | Authors: | Mander, G.J, Weiss, M.S, Hedderich, R, Kahnt, J, Ermler, U, Warkentin, E. | Deposit date: | 2005-07-01 | Release date: | 2005-09-06 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | X-ray structure of the gamma-subunit of a dissimilatory sulfite reductase: Fixed and flexible C-terminal arms. Febs Lett., 579, 2005
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2A7C
| On the Routine Use of Soft X-Rays in Macromolecular Crystallography, Part III- The Optimal Data Collection Wavelength | Descriptor: | Elastase 1, GLYCEROL, SULFATE ION, ... | Authors: | Mueller-Dieckmann, C, Panjikar, S, Tucker, P.A, Weiss, M.S. | Deposit date: | 2005-07-05 | Release date: | 2005-07-19 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | On the routine use of soft X-rays in macromolecular crystallography. Part III. The optimal data-collection wavelength. Acta Crystallogr.,Sect.D, 61, 2005
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2A7E
| On the Routine Use of Soft X-Rays in Macromolecular Crystallography, Part III- The Optimal Data Collection Wavelength | Descriptor: | DNA (5'-D(*CP*CP*CP*TP*AP*GP*GP*G)-3') | Authors: | Mueller-Dieckmann, C, Panjikar, S, Tucker, P.A, Weiss, M.S. | Deposit date: | 2005-07-05 | Release date: | 2005-07-19 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | On the routine use of soft X-rays in macromolecular crystallography. Part III. The optimal data-collection wavelength. Acta Crystallogr.,Sect.D, 61, 2005
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2A7F
| On the Routine Use of Soft X-Rays in Macromolecular Crystallography, Part III- The Optimal Data Collection Wavelength | Descriptor: | CHLORIDE ION, Lysozyme C, SODIUM ION | Authors: | Mueller-Dieckmann, C, Panjikar, S, Tucker, P.A, Weiss, M.S. | Deposit date: | 2005-07-05 | Release date: | 2005-07-19 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | On the routine use of soft X-rays in macromolecular crystallography. Part III. The optimal data-collection wavelength. Acta Crystallogr.,Sect.D, 61, 2005
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2A7D
| On the Routine Use of Soft X-Rays in Macromolecular Crystallography, Part III- The Optimal Data Collection Wavelength | Descriptor: | CHLORIDE ION, Lysozyme C, SODIUM ION, ... | Authors: | Mueller-Dieckmann, C, Panjikar, S, Tucker, P.A, Weiss, M.S. | Deposit date: | 2005-07-05 | Release date: | 2005-07-19 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | On the routine use of soft X-rays in macromolecular crystallography. Part III. The optimal data-collection wavelength. Acta Crystallogr.,Sect.D, 61, 2005
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2A7A
| On the Routine Use of Soft X-Rays in Macromolecular Crystallography, Part III- The Optimal Data Collection Wavelength | Descriptor: | CALCIUM ION, Concanavalin A, MANGANESE (II) ION, ... | Authors: | Mueller-Dieckmann, C, Panjikar, S, Tucker, P.A, Weiss, M.S. | Deposit date: | 2005-07-05 | Release date: | 2005-07-19 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | On the routine use of soft X-rays in macromolecular crystallography. Part III. The optimal data-collection wavelength. Acta Crystallogr.,Sect.D, 61, 2005
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2A7J
| On the Routine Use of Soft X-Rays in Macromolecular Crystallography, Part III- The Optimal Data Collection Wavelength | Descriptor: | ACETATE ION, CALCIUM ION, CHLORIDE ION, ... | Authors: | Mueller-Dieckmann, C, Panjikar, S, Tucker, P.A, Weiss, M.S. | Deposit date: | 2005-07-05 | Release date: | 2005-07-19 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | On the routine use of soft X-rays in macromolecular crystallography. Part III. The optimal data-collection wavelength. Acta Crystallogr.,Sect.D, 61, 2005
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2A7H
| On the Routine Use of Soft X-Rays in Macromolecular Crystallography, Part III- The Optimal Data Collection Wavelength | Descriptor: | CALCIUM ION, CHLORIDE ION, Cationic trypsin | Authors: | Mueller-Dieckmann, C, Panjikar, S, Tucker, P.A, Weiss, M.S. | Deposit date: | 2005-07-05 | Release date: | 2005-07-19 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | On the routine use of soft X-rays in macromolecular crystallography. Part III. The optimal data-collection wavelength. Acta Crystallogr.,Sect.D, 61, 2005
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