PDB: 82203 resultsInfo pagesStatus searchChemie searchBIRD

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6R07	T. cruzi FPPS in complex with 2-(5-chlorobenzo[b]thiophen-3-yl)acetic acid Descriptor: (5-chloro-1-benzothiophen-3-yl)acetic acid, DIMETHYL SULFOXIDE, Farnesyl diphosphate synthase, ... Authors: Petrick, J.K, Muenzker, L, Schleberger, C, Jahnke, W. Deposit date: 2019-03-12 Release date: 2020-04-01 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (1.57 Å) Cite: Targeting farnesyl pyrophosphate synthase of Trypanosoma cruzi by fragment-based lead discovery Thesis, 2019
6R09	T. cruzi FPPS in complex with 2-(4-((1H-indol-3-yl)methyl)piperazin-1-yl)benzo[d]thiazole Descriptor: 2-[4-(1~{H}-indol-3-ylmethyl)piperazin-1-yl]-1,3-benzothiazole, Farnesyl diphosphate synthase, SULFATE ION, ... Authors: Petrick, J.K, Muenzker, L, Schleberger, C, Jahnke, W. Deposit date: 2019-03-12 Release date: 2020-04-01 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (1.28 Å) Cite: Targeting farnesyl pyrophosphate synthase of Trypanosoma cruzi by fragment-based lead discovery Thesis, 2019
6R0A	T. cruzi FPPS in complex with 3-((4-(benzo[d]thiazol-2-yl)piperazin-1-yl)methyl)-1H-indol-5-ol Descriptor: 3-[[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]methyl]-1~{H}-indol-5-ol, ACETATE ION, Farnesyl diphosphate synthase, ... Authors: Petrick, J.K, Muenzker, L, Schleberger, C, Jahnke, W. Deposit date: 2019-03-12 Release date: 2020-04-01 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (1.32 Å) Cite: Targeting farnesyl pyrophosphate synthase of Trypanosoma cruzi by fragment-based lead discovery Thesis, 2019
4BGU	1.50 A resolution structure of the malate dehydrogenase from Haloferax volcanii Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, CHLORIDE ION, ... Authors: Talon, R, Madern, D, Girard, E. Deposit date: 2013-03-28 Release date: 2014-04-16 Last modified: 2024-05-08 Method: X-RAY DIFFRACTION (1.487 Å) Cite: Insight Into Structural Evolution of Extremophilic Proteins To be Published
2K2X	Solution Structure of Tick Carboxypeptidase Inhibitor at pH 3.5 Descriptor: Carboxypeptidase inhibitor Authors: Pantoja-Uceda, D, Blanco, F. Deposit date: 2008-04-15 Release date: 2009-01-27 Last modified: 2023-06-14 Method: SOLUTION NMR Cite: The NMR structures of the major intermediates of the two-domain tick carboxypeptidase inhibitor reveal symmetry in its folding and unfolding pathways. J.Biol.Chem., 283, 2008
2GPC	The crystal structure of the enzyme Fe-superoxide dismutase from Trypanosoma cruzi Descriptor: FE (II) ION, MAGNESIUM ION, iron superoxide dismutase Authors: Navarro, M.V.A.S, Garratt, R.C. Deposit date: 2006-04-17 Release date: 2007-08-28 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Systematic structural studies of iron superoxide dismutases from human parasites and a statistical coupling analysis of metal binding specificity Proteins, 77, 2009
3UK2	The structure of Pantothenate synthetase from Burkholderia thailandensis Descriptor: 1,2-ETHANEDIOL, ADENOSINE MONOPHOSPHATE, CHLORIDE ION, ... Authors: Seattle Structural Genomics Center for Infectious Disease (SSGCID) Deposit date: 2011-11-08 Release date: 2011-11-16 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (2.25 Å) Cite: Combining functional and structural genomics to sample the essential Burkholderia structome. Plos One, 8, 2013
3TEJ	Crystal structure of a domain fragment involved in peptide natural product biosynthesis Descriptor: Enterobactin synthase component F Authors: Liu, Y, Zheng, T, Bruner, S.D. Deposit date: 2011-08-15 Release date: 2012-01-18 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Structural basis for phosphopantetheinyl carrier domain interactions in the terminal module of nonribosomal peptide synthetases. Chem.Biol., 18, 2011
6B69	Beta-Lactamase, 500ms timepoint, mixed, shards crystal form Descriptor: (2R)-2-[(1S)-1-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-2-hydroxyethyl]-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, (2R)-2-[(S)-{[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}(carboxy)methyl]-5-(hydroxymethyl)-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, Beta-lactamase, ... Authors: Pandey, S, Schmidt, M. Deposit date: 2017-10-01 Release date: 2018-06-27 Last modified: 2024-03-13 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Enzyme intermediates captured "on the fly" by mix-and-inject serial crystallography. BMC Biol., 16, 2018
6B6D	Beta-Lactamase, mixed with Ceftriaxone, needles crystal form, 100ms Descriptor: (2R)-2-[(1S)-1-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-2-hydroxyethyl]-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, Beta-lactamase, Ceftriaxone Authors: Pandey, S, Schmidt, M. Deposit date: 2017-10-01 Release date: 2018-06-27 Last modified: 2024-03-13 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Enzyme intermediates captured "on the fly" by mix-and-inject serial crystallography. BMC Biol., 16, 2018
5STZ	PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P03D04 from the F2X-Universal Library Descriptor: 3-(1H-indol-3-yl)propanamide, A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8 Authors: Barthel, T, Wollenhaupt, J, Lima, G.M.A, Wahl, M.C, Weiss, M.S. Deposit date: 2022-08-26 Release date: 2022-11-02 Last modified: 2024-05-22 Method: X-RAY DIFFRACTION (1.44 Å) Cite: Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem., 65, 2022
5SUA	PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P03F12 from the F2X-Universal Library Descriptor: 3-oxo-3-(thiomorpholin-4-yl)propanenitrile, A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8 Authors: Barthel, T, Wollenhaupt, J, Lima, G.M.A, Wahl, M.C, Weiss, M.S. Deposit date: 2022-08-26 Release date: 2022-11-02 Last modified: 2024-05-22 Method: X-RAY DIFFRACTION (1.53 Å) Cite: Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem., 65, 2022
6B5Y	Beta-lactamase, mixed with Ceftriaxone, 30ms time point, Shards crystal form Descriptor: Beta-lactamase, Ceftriaxone, PHOSPHATE ION Authors: Pandey, S, Schmidt, M. Deposit date: 2017-09-29 Release date: 2018-06-27 Last modified: 2024-03-13 Method: X-RAY DIFFRACTION (2.75 Å) Cite: Enzyme intermediates captured "on the fly" by mix-and-inject serial crystallography. BMC Biol., 16, 2018
6SI5	T. cruzi FPPS in complex with 1-methyl-5-(4,5,6,7-tetrahydrothieno[3,2-c]pyridine-5-carbonyl)pyridin-2(1H)-one Descriptor: 5-(6,7-dihydro-4~{H}-thieno[3,2-c]pyridin-5-ylcarbonyl)-1-methyl-pyridin-2-one, Farnesyl diphosphate synthase, SULFATE ION Authors: Petrick, J.K, Muenzker, L, Schleberger, C, Cornaciu, I, Clavel, D, Marquez, J.A, Jahnke, W. Deposit date: 2019-08-08 Release date: 2020-08-26 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (2.097 Å) Cite: Targeting farnesyl pyrophosphate synthase of Trypanosoma cruzi by fragment-based lead discovery Thesis, 2019
6B6B	Beta-Lactamase, unmixed needles crystal form Descriptor: Beta-lactamase Authors: Pandey, S, Schmidt, M. Deposit date: 2017-10-01 Release date: 2018-06-27 Last modified: 2024-03-13 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Enzyme intermediates captured "on the fly" by mix-and-inject serial crystallography. BMC Biol., 16, 2018
6B6A	Beta-Lactamase, 2secs timepoint, mixed, shards crystal form Descriptor: (2R)-2-[(1S)-1-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-2-hydroxyethyl]-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, Beta-lactamase, Ceftriaxone, ... Authors: Pandey, S, Schmidt, M. Deposit date: 2017-10-01 Release date: 2018-06-27 Last modified: 2020-01-15 Method: X-RAY DIFFRACTION (2.298 Å) Cite: Enzyme intermediates captured "on the fly" by mix-and-inject serial crystallography. BMC Biol., 16, 2018
6B6C	Beta-Lactamase, mixed with Ceftriaxone, needles crystal form, 30ms Descriptor: Beta-lactamase, Ceftriaxone Authors: Pandey, S, Schmidt, M. Deposit date: 2017-10-01 Release date: 2018-06-27 Last modified: 2024-03-13 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Enzyme intermediates captured "on the fly" by mix-and-inject serial crystallography. BMC Biol., 16, 2018
6B6E	Beta-Lactamase, mixed with Ceftriaxone, needles crystal form, 500ms Descriptor: (2R)-2-[(1S)-1-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-2-hydroxyethyl]-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, Beta-lactamase, Ceftriaxone Authors: Pandey, S, Schmidt, M. Deposit date: 2017-10-01 Release date: 2018-06-27 Last modified: 2024-03-13 Method: X-RAY DIFFRACTION (1.901 Å) Cite: Enzyme intermediates captured "on the fly" by mix-and-inject serial crystallography. BMC Biol., 16, 2018
6SHV	T. cruzi FPPS in complex with 5-(4-fluorophenoxy)pyridin-2-amine Descriptor: 5-(4-fluoranylphenoxy)pyridin-2-amine, Farnesyl diphosphate synthase, SULFATE ION, ... Authors: Petrick, J.K, Muenzker, L, Schleberger, C, Cornaciu, I, Clavel, D, Marquez, J.A, Jahnke, W. Deposit date: 2019-08-08 Release date: 2020-08-26 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (1.808 Å) Cite: Targeting farnesyl pyrophosphate synthase of Trypanosoma cruzi by fragment-based lead discovery Thesis, 2019
6Y9I	Structure of apo Chimpanzee Polyomavirus VP1 Descriptor: MAGNESIUM ION, Major Capsid Protein VP1 Authors: Stroh, L.J, Rustmeier, N.H, Stehle, T. Deposit date: 2020-03-09 Release date: 2020-07-08 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Structural Basis and Evolution of Glycan Receptor Specificities within the Polyomavirus Family. Mbio, 11, 2020
6B68	Beta-Lactamase, 100ms timepoint, mixed, shards crystal form Descriptor: (2R)-2-[(1S)-1-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-2-hydroxyethyl]-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, Beta-lactamase, Ceftriaxone, ... Authors: Pandey, S, Schmidt, M. Deposit date: 2017-10-01 Release date: 2018-06-27 Last modified: 2024-03-13 Method: X-RAY DIFFRACTION (2.15 Å) Cite: Enzyme intermediates captured "on the fly" by mix-and-inject serial crystallography. BMC Biol., 16, 2018
5QT8	T. brucei FPPS in complex with CAS 34105-16-3 Descriptor: (2R)-1-[(4-chlorophenyl)(methyl)amino]-3-(1H-imidazol-1-yl)propan-2-ol, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... Authors: Muenzker, L, Petrick, J.K, Schleberger, C, Jahnke, W. Deposit date: 2019-08-07 Release date: 2020-10-07 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (2.35 Å) Cite: T. brucei FPPS in complex with CAS 34105-16-3 To Be Published
4R8T	Structure of JEV protease Descriptor: CHLORIDE ION, NS3, Serine protease subunit NS2B Authors: Nair, D.T, Weinert, T, Wang, M, Olieric, V. Deposit date: 2014-09-03 Release date: 2014-12-24 Last modified: 2024-03-20 Method: X-RAY DIFFRACTION (2.133 Å) Cite: Fast native-SAD phasing for routine macromolecular structure determination. Nat.Methods, 12, 2015
3P99	Sterol 14alpha-demethylase (CYP51) from Trypanosoma brucei in complex with delta7-14alpha-methylene-cyclopropyl-dihydrolanosterol Descriptor: (3alpha,9beta,10alpha,13alpha)-30-cyclopropylidenelanost-7-en-3-ol, PROTOPORPHYRIN IX CONTAINING FE, Sterol 14-alpha-demethylase Authors: Lepesheva, G.I, Hargrove, T.Y, Waterman, M.R, Wawrzak, Z. Deposit date: 2010-10-16 Release date: 2011-11-30 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (3 Å) Cite: Structural complex of sterol 14alpha-demethylase (CYP51) with 14alpha-methylenecyclopropyl-delta7-24, 25-dihydrolanosterol J.Lipid Res., 53, 2012
7NUF	Vaccinia virus protein 018 in complex with STAT1 Descriptor: ACETYL GROUP, SULFATE ION, Signal transducer and activator of transcription 1-alpha/beta, ... Authors: Pantelejevs, T, Talbot-Cooper, C, Smith, G.L, Hyvonen, M. Deposit date: 2021-03-12 Release date: 2021-07-28 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (2.0004015 Å) Cite: Poxviruses and paramyxoviruses use a conserved mechanism of STAT1 antagonism to inhibit interferon signaling. Cell Host Microbe, 30, 2022

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