8BVF
 
 | | MoeA2 from Corynebacterium glutamicum in complex with FtsZ-CTD | | Descriptor: | Cell division protein FtsZ, Molybdopterin molybdenumtransferase, SODIUM ION, ... | | Authors: | Martinez, M, Haouz, A, Wehenkel, A.M, Alzari, P.M. | | Deposit date: | 2022-12-03 | | Release date: | 2023-02-22 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.68 Å) | | Cite: | Eukaryotic-like gephyrin and cognate membrane receptor coordinate corynebacterial cell division and polar elongation.
Biorxiv, 2023
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5TJ4
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8BVE
 | | MoeA2 from Corynebacterium glutamicum | | Descriptor: | CITRIC ACID, Molybdopterin molybdenumtransferase, SODIUM ION | | Authors: | Martinez, M, Haouz, A, Wehenkel, A.M, Alzari, P.M. | | Deposit date: | 2022-12-03 | | Release date: | 2023-02-22 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Eukaryotic-like gephyrin and cognate membrane receptor coordinate corynebacterial cell division and polar elongation.
Biorxiv, 2023
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6I0C
 | | Human butyrylcholinesterase in complex with the R enantiomer of a chlorotacrine-tryptophan multi-target inhibitor. | | Descriptor: | (2~{R})-2-azanyl-~{N}-[6-[(6-chloranyl-1,2,3,4-tetrahydroacridin-9-yl)amino]hexyl]-3-(1~{H}-indol-3-yl)propanamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Brazzolotto, X, Nachon, F. | | Deposit date: | 2018-10-25 | | Release date: | 2019-03-27 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.675 Å) | | Cite: | Novel tacrine-tryptophan hybrids: Multi-target directed ligands as potential treatment for Alzheimer's disease.
Eur.J.Med.Chem., 168, 2019
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8BGY
 | | O-Methyltransferase Plu4890 in complex with SAH and AQ-284a | | Descriptor: | 1,3-dimethoxy-8-oxidanyl-anthracene-9,10-dione, CHLORIDE ION, Methyltransferase Plu4890, ... | | Authors: | Huber, E.M, Groll, M. | | Deposit date: | 2022-10-28 | | Release date: | 2023-03-08 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | A set of closely related methyltransferases for site-specific tailoring of anthraquinone pigments.
Structure, 31, 2023
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5D63
 | | MOA-Z-VAD-fmk inhibitor complex, direct/inverted dual orientation | | Descriptor: | 1,2-ETHANEDIOL, Agglutinin, CALCIUM ION, ... | | Authors: | Cordara, G, Krengel, U. | | Deposit date: | 2015-08-11 | | Release date: | 2016-03-02 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | An Unusual Member of the Papain Superfamily: Mapping the Catalytic Cleft of the Marasmius oreades agglutinin (MOA) with a Caspase Inhibitor.
Plos One, 11, 2016
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5FB9
 | | S1 nuclease from Aspergillus oryzae with unoccupied active site | | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Nuclease S1, ... | | Authors: | Koval, T, Oestergaard, L.H, Dohnalek, J. | | Deposit date: | 2015-12-14 | | Release date: | 2016-12-28 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structural and Catalytic Properties of S1 Nuclease from Aspergillus oryzae Responsible for Substrate Recognition, Cleavage, Non-Specificity, and Inhibition.
PLoS ONE, 11, 2016
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8BIB
 | | O-Methyltransferase Plu4890 in complex with SAH and AQ-256 | | Descriptor: | 1,3,8-tris(oxidanyl)anthracene-9,10-dione, CARBONATE ION, CHLORIDE ION, ... | | Authors: | Huber, E.M, Groll, M. | | Deposit date: | 2022-11-02 | | Release date: | 2023-03-08 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | A set of closely related methyltransferases for site-specific tailoring of anthraquinone pigments.
Structure, 31, 2023
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8BIJ
 | | O-Methyltransferase Plu4894 (mutant I88M, W91L, C97Y, S142L, G146V, Y258M, L270F, S309Y) in complex with SAH | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Methyltransferase Plu4894 mutant I88M, ... | | Authors: | Huber, E.M, Groll, M. | | Deposit date: | 2022-11-02 | | Release date: | 2023-03-08 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | A set of closely related methyltransferases for site-specific tailoring of anthraquinone pigments.
Structure, 31, 2023
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8BIC
 | | O-Methyltransferase Plu4891 in complex with SAH | | Descriptor: | GLYCEROL, S-ADENOSYL-L-HOMOCYSTEINE, SODIUM ION, ... | | Authors: | Huber, E.M, Groll, M. | | Deposit date: | 2022-11-02 | | Release date: | 2023-03-08 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | A set of closely related methyltransferases for site-specific tailoring of anthraquinone pigments.
Structure, 31, 2023
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8BIR
 | | O-Methyltransferase Plu4895 in complex with SAH and AQ-256 | | Descriptor: | 1,3,8-tris(oxidanyl)anthracene-9,10-dione, CHLORIDE ION, IODIDE ION, ... | | Authors: | Huber, E.M, Groll, M. | | Deposit date: | 2022-11-02 | | Release date: | 2023-03-08 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | A set of closely related methyltransferases for site-specific tailoring of anthraquinone pigments.
Structure, 31, 2023
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6HDM
 | | R49A variant of beta-phosphoglucomutase from Lactococcus lactis complexed with magnesium trifluoride and beta-G6P to 1.3 A. | | Descriptor: | 1,2-ETHANEDIOL, 1,3-PROPANDIOL, 6-O-phosphono-beta-D-glucopyranose, ... | | Authors: | Robertson, A.J, Bisson, C, Waltho, J.P. | | Deposit date: | 2018-08-17 | | Release date: | 2020-08-26 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Transition state of phospho-enzyme hydrolysis in beta-phosphoglucomutase.
To Be Published
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8BBS
 | | Structure of AKR1C3 in complex with a bile acid fused tetrazole inhibitor | | Descriptor: | (4~{R})-4-[(1~{R},2~{S},5~{R},6~{R},13~{S},14~{S},17~{R},19~{R})-6,14-dimethyl-17-oxidanyl-7,8,9,10-tetrazapentacyclo[11.8.0.0^{2,6}.0^{7,11}.0^{14,19}]henicosa-8,10-dien-5-yl]pentanoic acid, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Petri, E.T, Skerlova, J, Marinovic, M, Brynda, J, Kugler, M, Skoric, D, Bekic, S, Celic, A.S, Rezacova, P. | | Deposit date: | 2022-10-14 | | Release date: | 2023-03-08 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | X-ray structure of human aldo-keto reductase 1C3 in complex with a bile acid fused tetrazole inhibitor: experimental validation, molecular docking and structural analysis.
Rsc Med Chem, 14, 2023
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8BGZ
 | | O-Methyltransferase Plu4890 (mutant H229N) in complex with SAH and AQ-256 | | Descriptor: | 1,3,8-tris(oxidanyl)anthracene-9,10-dione, GLYCEROL, S-ADENOSYL-L-HOMOCYSTEINE, ... | | Authors: | Huber, E.M, Groll, M. | | Deposit date: | 2022-10-28 | | Release date: | 2023-03-08 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | A set of closely related methyltransferases for site-specific tailoring of anthraquinone pigments.
Structure, 31, 2023
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8BGX
 | | O-Methyltransferase Plu4890 in complex with SAH and AQ-270a | | Descriptor: | 1-methoxy-3,8-bis(oxidanyl)anthracene-9,10-dione, CHLORIDE ION, GLYCEROL, ... | | Authors: | Huber, E.M, Groll, M. | | Deposit date: | 2022-10-28 | | Release date: | 2023-03-08 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | A set of closely related methyltransferases for site-specific tailoring of anthraquinone pigments.
Structure, 31, 2023
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8BIF
 | | O-Methyltransferase Plu4892 in complex with SAH | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, S-ADENOSYL-L-HOMOCYSTEINE, ... | | Authors: | Huber, E.M, Groll, M. | | Deposit date: | 2022-11-02 | | Release date: | 2023-03-08 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | A set of closely related methyltransferases for site-specific tailoring of anthraquinone pigments.
Structure, 31, 2023
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5DLT
 | | Crystal structure of Autotaxin (ENPP2) with 7-alpha-hydroxycholesterol | | Descriptor: | 7alpha-hydroxycholesterol, CALCIUM ION, Ectonucleotide pyrophosphatase/phosphodiesterase family member 2, ... | | Authors: | Hausmann, J, Joosten, R.P, Perrakis, A. | | Deposit date: | 2015-09-07 | | Release date: | 2016-04-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Steroid binding to Autotaxin links bile salts and lysophosphatidic acid signalling.
Nat Commun, 7, 2016
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8BJ1
 | | Crystal structure of Medicago truncatula histidinol-phosphate aminotransferase (HISN6) in the open state | | Descriptor: | 1,2-ETHANEDIOL, SODIUM ION, SULFATE ION, ... | | Authors: | Rutkiewicz, M, Ruszkowski, M. | | Deposit date: | 2022-11-03 | | Release date: | 2023-03-22 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | Insights into the substrate specificity, structure, and dynamics of plant histidinol-phosphate aminotransferase (HISN6).
Plant Physiol Biochem., 196, 2023
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5VU0
 | | Crystal structure of the complex between afucosylated/galactosylated human IgG1 Fc and Fc gamma receptor IIIa (CD16A) with Man5 N-glycans | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Subedi, G.S, Marcella, A.M, Barb, A.W. | | Deposit date: | 2017-05-18 | | Release date: | 2018-05-23 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Antibody Fucosylation Lowers the Fc gamma RIIIa/CD16a Affinity by Limiting the Conformations Sampled by the N162-Glycan.
ACS Chem. Biol., 13, 2018
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5HZ7
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6I3L
 | | Bilirubin oxidase from Myrothecium verrucaria, mutant W396F | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Bilirubin oxidase, COPPER (II) ION, ... | | Authors: | Koval, T, Svecova, L, Skalova, T, Kolenko, P, Duskova, J, Ostergaard, L.H, Dohnalek, J. | | Deposit date: | 2018-11-06 | | Release date: | 2019-10-02 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Trp-His covalent adduct in bilirubin oxidase is crucial for effective bilirubin binding but has a minor role in electron transfer.
Sci Rep, 9, 2019
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5GLR
 | | Crystal structure of CoXyl43, GH43 beta-xylosidase/alpha-arabinofuranosidase from a compostmicrobial metagenome in complex with l-arabinose and xylotriose, calcium-bound form | | Descriptor: | CALCIUM ION, Glycoside hydrolase family 43, SODIUM ION, ... | | Authors: | Matsuzawa, T, Kishine, N, Fujimoto, Z, Yaoi, K. | | Deposit date: | 2016-07-12 | | Release date: | 2017-03-15 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structure of metagenomic beta-xylosidase/ alpha-l-arabinofuranosidase activated by calcium.
J. Biochem., 162, 2017
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6I51
 | | Thrombin in complex with fragment J02 | | Descriptor: | 1H-isoindol-3-amine, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | | Authors: | Abazi, N, Heine, A, Klebe, G. | | Deposit date: | 2018-11-12 | | Release date: | 2019-11-20 | | Last modified: | 2021-03-03 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Fragment screening of Thrombin using a 96 member fragment library
To Be Published
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6JZO
 | | Structure of the mouse TRPC4 ion channel | | Descriptor: | 2-(HEXADECANOYLOXY)-1-[(PHOSPHONOOXY)METHYL]ETHYL HEXADECANOATE, CHOLESTEROL HEMISUCCINATE, SODIUM ION, ... | | Authors: | Duan, J, Li, Z, Li, J, Zhang, J. | | Deposit date: | 2019-05-03 | | Release date: | 2020-10-21 | | Last modified: | 2021-05-05 | | Method: | ELECTRON MICROSCOPY (3.28 Å) | | Cite: | Structure of the mouse TRPC4 ion channel
To Be Published
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5E8E
 | | Crystal structure of thrombin bound to an exosite 1-specific IgA Fab | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CITRIC ACID, D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, ... | | Authors: | Baglin, T.P, Langdown, J, Frasson, R, Huntington, J.A. | | Deposit date: | 2015-10-14 | | Release date: | 2015-10-28 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Discovery and characterization of an antibody directed against exosite I of thrombin.
J.Thromb.Haemost., 14, 2016
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