6Y91
 
 | | Crystal structure of malate dehydrogenase from Plasmodium Falciparum in complex with NADH | | Descriptor: | Malate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | Romero, A.R, Calderone, V, Gentili, M, Lunev, S, Groves, M, Popowicz, G, Domling, A, Sattler, M. | | Deposit date: | 2020-03-06 | | Release date: | 2021-03-31 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | A fragment-based approach identifies an allosteric pocket that impacts malate dehydrogenase activity.
Commun Biol, 4, 2021
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6R8G
 | | Crystal structure of malate dehydrogenase from Plasmodium Falciparum in complex with 4-(3,4-difluorophenyl)thiazol-2-amine | | Descriptor: | 4-[3,4-bis(fluoranyl)phenyl]-1,3-thiazol-2-amine, Malate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Romero, A.R, Calderone, V, Gentili, M, Lunev, S, Groves, M, Popowicz, G, Domling, A, Sattler, M. | | Deposit date: | 2019-04-01 | | Release date: | 2020-04-15 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | A Fragment-Based Approach Identifies an Allosteric Pocket that Impacts Malate Dehydrogenase Activity
Commun Biol, 2021
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2W9Y
 | | The structure of the lipid binding protein Ce-FAR-7 from Caenorhabditis elegans | | Descriptor: | FATTY ACID/RETINOL BINDING PROTEIN PROTEIN 7, ISOFORM A, CONFIRMED BY TRANSCRIPT EVIDENCE, ... | | Authors: | Jordanova, R, Groves, M.R, Tucker, P.A. | | Deposit date: | 2009-01-30 | | Release date: | 2009-10-20 | | Last modified: | 2015-04-29 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Fatty Acid and Retinoid Binding Proteins Have Distinct Binding Pockets for the Two Types of Cargo
J.Biol.Chem., 284, 2009
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3L1P
 | | POU protein:DNA complex | | Descriptor: | DNA (5'-D(*AP*TP*CP*CP*AP*TP*TP*TP*GP*CP*CP*TP*TP*TP*CP*AP*AP*AP*TP*GP*TP*GP*G)-3'), DNA (5'-D(*TP*CP*CP*AP*CP*AP*TP*TP*TP*GP*AP*AP*AP*GP*GP*CP*AP*AP*AP*TP*GP*GP*A)-3'), POU domain, ... | | Authors: | Vahokoski, J, Groves, M.R, Pogenberg, V, Wilmanns, M. | | Deposit date: | 2009-12-14 | | Release date: | 2010-12-15 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | A unique Oct4 interface is crucial for reprogramming to pluripotency
Nat.Cell Biol., 15, 2013
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5NFR
 | | Crystal structure of malate dehydrogenase from Plasmodium falciparum (PfMDH) | | Descriptor: | CITRIC ACID, Malate dehydrogenase | | Authors: | Lunev, S, Romero, A.R, Batista, F.A, Wrenger, C, Groves, M.R. | | Deposit date: | 2017-03-15 | | Release date: | 2018-01-31 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Oligomeric interfaces as a tool in drug discovery: Specific interference with activity of malate dehydrogenase of Plasmodium falciparum in vitro.
PLoS ONE, 13, 2018
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8AGF
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6SS2
 | | Structure of arginase-2 in complex with the inhibitory human antigen-binding fragment Fab C0021158 | | Descriptor: | Arginase-2, mitochondrial, Fab C0021158 heavy chain (IgG1), ... | | Authors: | Burschowsky, D, Addyman, A, Fiedler, S, Groves, M, Haynes, S, Seewooruthun, C, Carr, M. | | Deposit date: | 2019-09-06 | | Release date: | 2020-06-10 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural and functional characterization of C0021158, a high-affinity monoclonal antibody that inhibits Arginase 2 function via a novel non-competitive mechanism of action.
Mabs, 12
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6SS4
 | | Structure of arginase-2 in complex with the inhibitory human antigen-binding fragment Fab C0021181 | | Descriptor: | Arginase-2, mitochondrial, Fab C0021181 heavy chain (IgG1), ... | | Authors: | Burschowsky, D, Addyman, A, Fiedler, S, Groves, M, Haynes, S, Seewooruthun, C, Carr, M. | | Deposit date: | 2019-09-06 | | Release date: | 2020-06-10 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structural and functional characterization of C0021158, a high-affinity monoclonal antibody that inhibits Arginase 2 function via a novel non-competitive mechanism of action.
Mabs, 12
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6ZRT
 | | Crystal structure of SARS CoV2 main protease in complex with inhibitor Telaprevir | | Descriptor: | (1S,3aR,6aS)-2-[(2S)-2-({(2S)-2-cyclohexyl-2-[(pyrazin-2-ylcarbonyl)amino]acetyl}amino)-3,3-dimethylbutanoyl]-N-[(2R,3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]octahydrocyclopenta[c]pyrrole-1-carboxamide, DIMETHYL SULFOXIDE, Main Protease | | Authors: | Oerlemans, R, Wang, W, Lunev, S, Domling, A, Groves, M.R. | | Deposit date: | 2020-07-14 | | Release date: | 2020-08-12 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Repurposing the HCV NS3-4A protease drug boceprevir as COVID-19 therapeutics.
Rsc Med Chem, 12, 2020
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6ZRU
 | | Crystal structure of SARS CoV2 main protease in complex with inhibitor Boceprevir | | Descriptor: | DIMETHYL SULFOXIDE, Main Protease, boceprevir (bound form) | | Authors: | Oerlemans, R, Wang, W, Lunev, S, Domling, A, Groves, M.R. | | Deposit date: | 2020-07-14 | | Release date: | 2020-08-12 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Repurposing the HCV NS3-4A protease drug boceprevir as COVID-19 therapeutics.
Rsc Med Chem, 12, 2020
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7ZP2
 | | Crystal Structure of truncated aspartate transcarbamoylase from Plasmodium falciparum in complex with BDA-04 | | Descriptor: | Aspartate carbamoyltransferase, SODIUM ION, SULFATE ION, ... | | Authors: | Wang, C, Zhang, B, Groves, M.R. | | Deposit date: | 2022-04-26 | | Release date: | 2022-08-24 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.292 Å) | | Cite: | Discovery of Small-Molecule Allosteric Inhibitors of Pf ATC as Antimalarials.
J.Am.Chem.Soc., 144, 2022
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3FPV
 | | Crystal Structure of HbpS | | Descriptor: | Extracellular haem-binding protein, FE (III) ION | | Authors: | Ortiz de Orue Lucana, D, Bogel, G, Zou, P, Groves, M.R. | | Deposit date: | 2009-01-06 | | Release date: | 2009-01-20 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The oligomeric assembly of the novel haem-degrading protein HbpS is essential for interaction with its cognate two-component sensor kinase
J.Mol.Biol., 386, 2009
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6SS0
 | | Structure of the arginase-2-inhibitory human antigen-binding fragment Fab C0021181 | | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, Fab C0021181 heavy chain (IgG1), ... | | Authors: | Burschowsky, D, Addyman, A, Fiedler, S, Groves, M, Haynes, S, Seewooruthun, C, Carr, M. | | Deposit date: | 2019-09-06 | | Release date: | 2020-06-10 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural and functional characterization of C0021158, a high-affinity monoclonal antibody that inhibits Arginase 2 function via a novel non-competitive mechanism of action.
Mabs, 12
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7ZST
 | | Crystal Structure of truncated aspartate transcarbamoylase from Plasmodium falciparum in complex with FLA-01 | | Descriptor: | 2-azanyl-~{N}-(2-methoxyethyl)-5-phenyl-thiophene-3-carboxamide, Aspartate carbamoyltransferase, GLYCEROL, ... | | Authors: | Wang, C, Zhang, B, Groves, M.R. | | Deposit date: | 2022-05-08 | | Release date: | 2022-08-24 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Discovery of Small-Molecule Allosteric Inhibitors of Pf ATC as Antimalarials.
J.Am.Chem.Soc., 144, 2022
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6SS6
 | | Structure of arginase-2 in complex with the inhibitory human antigen-binding fragment Fab C0020187 | | Descriptor: | Arginase-2, mitochondrial, Fab C0020187 heavy chain (IgG1), ... | | Authors: | Burschowsky, D, Addyman, A, Fiedler, S, Groves, M, Haynes, S, Seewooruthun, C, Carr, M. | | Deposit date: | 2019-09-06 | | Release date: | 2020-06-10 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.25 Å) | | Cite: | Extensive sequence and structural evolution of Arginase 2 inhibitory antibodies enabled by an unbiased approach to affinity maturation.
Proc.Natl.Acad.Sci.USA, 117, 2020
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6SRX
 | | Structure of the arginase-2-inhibitory human antigen-binding fragment Fab C0021158 | | Descriptor: | ACETATE ION, CHLORIDE ION, Fab C0021158 heavy chain (IgG1), ... | | Authors: | Burschowsky, D, Addyman, A, Fiedler, S, Groves, M, Haynes, S, Seewooruthun, C, Carr, M. | | Deposit date: | 2019-09-06 | | Release date: | 2020-06-10 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural and functional characterization of C0021158, a high-affinity monoclonal antibody that inhibits Arginase 2 function via a novel non-competitive mechanism of action.
Mabs, 12
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6SRV
 | | Structure of the arginase-2-inhibitory human antigen-binding fragment Fab C0021144 | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ... | | Authors: | Burschowsky, D, Addyman, A, Fiedler, S, Groves, M, Haynes, S, Seewooruthun, C, Carr, M. | | Deposit date: | 2019-09-06 | | Release date: | 2020-06-10 | | Last modified: | 2020-09-16 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural and functional characterization of C0021158, a high-affinity monoclonal antibody that inhibits Arginase 2 function via a novel non-competitive mechanism of action.
Mabs, 12
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5NKZ
 | | Crystal structure of H. polymorpha ubiquitin conjugating enzyme Pex4p in complex with soluble domain of Pex22p | | Descriptor: | Peroxin 22, Ubiquitin-conjugating enzyme E2-21 kDa | | Authors: | Danda, N, Lunev, S, Ali, A, Groves, M.R, Williams, C. | | Deposit date: | 2017-04-03 | | Release date: | 2018-01-24 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Structural insights into K48-linked ubiquitin chain formation by the Pex4p-Pex22p complex.
Biochem. Biophys. Res. Commun., 496, 2018
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8B32
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8B35
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8B3C
 | | Chalcone synthase from Hordeum vulgare complexed with CoA and eriodictyol | | Descriptor: | (2S)-2-(3,4-DIHYDROXYPHENYL)-5,7-DIHYDROXY-2,3-DIHYDRO-4H-CHROMEN-4-ONE, COENZYME A, Chalcone synthase 2 | | Authors: | Zhang, L, Groves, M.R. | | Deposit date: | 2022-09-16 | | Release date: | 2023-09-27 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Engineering a Plant Polyketide Synthase for the Biosynthesis of Methylated Flavonoids.
J.Agric.Food Chem., 72, 2024
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8C9S
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8C9V
 | | O-methyltransferase from Desulfuromonas acetoxidans | | Descriptor: | MAGNESIUM ION, O-methyltransferase, family 3 | | Authors: | Zhang, L, Groves, M.R. | | Deposit date: | 2023-01-23 | | Release date: | 2023-04-05 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structural Characterization and Extended Substrate Scope Analysis of Two Mg 2+ -Dependent O-Methyltransferases from Bacteria.
Chembiochem, 24, 2023
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8C9T
 | | Catechol O-methyltransferase from Streptomyces avermitilis | | Descriptor: | GLYCEROL, Putative O-methyltransferase | | Authors: | Zhang, L, Groves, M.R. | | Deposit date: | 2023-01-23 | | Release date: | 2023-04-05 | | Last modified: | 2023-05-10 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structural Characterization and Extended Substrate Scope Analysis of Two Mg 2+ -Dependent O-Methyltransferases from Bacteria.
Chembiochem, 24, 2023
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6SS5
 | | Structure of the arginase-2-inhibitory human antigen-binding fragment Fab C0020187 | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, ... | | Authors: | Burschowsky, D, Addyman, A, Fiedler, S, Groves, M, Haynes, S, Seewooruthun, C, Carr, M. | | Deposit date: | 2019-09-06 | | Release date: | 2020-06-10 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Extensive sequence and structural evolution of Arginase 2 inhibitory antibodies enabled by an unbiased approach to affinity maturation.
Proc.Natl.Acad.Sci.USA, 117, 2020
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