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6MJ4	Crystal structure of MCD1D/INKTCR TERNARY COMPLEX bound to glycolipid (XXW) Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... Authors: Zajonc, D.M, Bitra, A, Janssens, J. Deposit date: 2018-09-20 Release date: 2019-01-09 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (2 Å) Cite: 4"-O-Alkylated alpha-Galactosylceramide Analogues as iNKT-Cell Antigens: Synthetic, Biological, and Structural Studies. ChemMedChem, 14, 2019
6O8G	Crystal structure of UvrB bound to fully duplex DNA Descriptor: ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, DNA (5'-D(*GP*GP*TP*AP*GP*CP*GP*CP*GP*AP*TP*GP*GP*AP*GP*A)-3'), ... Authors: Lee, S.-J, Sung, R.-J, Verdine, G.L. Deposit date: 2019-03-10 Release date: 2020-01-22 Last modified: 2024-03-13 Method: X-RAY DIFFRACTION (2.64 Å) Cite: Mechanism of DNA Lesion Homing and Recognition by the Uvr Nucleotide Excision Repair System. Res, 2019, 2019
6MIV	Crystal structure of the mCD1d/xxq (JJ300)/iNKTCR ternary complex Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... Authors: Zajonc, D.M, Bitra, A, Janssens, J. Deposit date: 2018-09-20 Release date: 2019-01-09 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (2.05 Å) Cite: 4"-O-Alkylated alpha-Galactosylceramide Analogues as iNKT-Cell Antigens: Synthetic, Biological, and Structural Studies. ChemMedChem, 14, 2019
8X5L	The Crystal Structure of PRKACA from Biortus. Descriptor: (2S)-2-(4-chlorophenyl)-2-hydroxy-2-[4-(1H-pyrazol-4-yl)phenyl]ethanaminium, SODIUM ION, cAMP-dependent protein kinase catalytic subunit alpha Authors: Wang, F, Cheng, W, Lv, Z, Lin, D, Pan, W. Deposit date: 2023-11-17 Release date: 2023-12-27 Method: X-RAY DIFFRACTION (2.75 Å) Cite: The Crystal Structure of PRKACA from Biortus. To Be Published
6PX5	CRYSTAL STRUCTURE OF HUMAN MEIZOTHROMBIN DESF1 MUTANT S195A bound with PPACK Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, Prothrombin, ... Authors: Pelc, L.A, Koester, S.K, Chen, Z, Gistover, N, Di Cera, E. Deposit date: 2019-07-24 Release date: 2019-09-04 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (2.4 Å) Cite: Residues W215, E217 and E192 control the allosteric E*-E equilibrium of thrombin. Sci Rep, 9, 2019
4X4L	Structure of human ALDH1A1 with inhibitor CM037 Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, CHLORIDE ION, Retinal dehydrogenase 1, ... Authors: Morgan, C.A, Hurley, T.D. Deposit date: 2014-12-03 Release date: 2015-02-11 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.85 Å) Cite: Characterization of Two Distinct Structural Classes of Selective Aldehyde Dehydrogenase 1A1 Inhibitors. J.Med.Chem., 58, 2015
8W7H	Purine Nucleoside Phosphorylase in complex with MMV000848 Descriptor: (2R)-1-(9H-carbazol-9-yl)-3-(cyclopentylamino)propan-2-ol, 1,2-ETHANEDIOL, PHOSPHATE ION, ... Authors: Chung, Z, Lin, J.Q, Lescar, J. Deposit date: 2023-08-30 Release date: 2024-01-17 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.85 Å) Cite: Identification and structural validation of purine nucleoside phosphorylase from Plasmodium falciparum as a target of MMV000848. J.Biol.Chem., 300, 2023
6MJA	Crystal structure of the mCD1d/xxo (JJ294) /iNKTCR ternary complex Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d1, ... Authors: Zajonc, D.M, Bitra, A, Janssens, J. Deposit date: 2018-09-20 Release date: 2019-01-09 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (2.35 Å) Cite: 4"-O-Alkylated alpha-Galactosylceramide Analogues as iNKT-Cell Antigens: Synthetic, Biological, and Structural Studies. ChemMedChem, 14, 2019
6C02	Human ectonucleotide pyrophosphatase / phosphodiesterase 3 (ENPP3, NPP3, CD203c), inactive (T205A), N594S, with alpha,beta-methylene-ATP (AMPCPP) Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... Authors: Gorelik, A, Randriamihaja, A, Illes, K, Nagar, B. Deposit date: 2017-12-27 Release date: 2018-05-02 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (1.942 Å) Cite: Structural basis for nucleotide recognition by the ectoenzyme CD203c. FEBS J., 285, 2018
6BHY	Mouse Immunoglobulin G 2c Fc fragment with single GlcNAc Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Igh protein, SODIUM ION Authors: Falconer, D, Barb, A. Deposit date: 2017-10-31 Release date: 2018-02-14 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (2.04 Å) Cite: Mouse IgG2c Fc loop residues promote greater receptor-binding affinity than mouse IgG2b or human IgG1. PLoS ONE, 13, 2018
8VR2	Crystal structure of the Pcryo_0617 oxidoreductase/decarboxylase from Psychrobacter cryohalolentis K5 in the presence of NAD and UDP Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, NAD-dependent epimerase/dehydratase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... Authors: Bockhaus, N.J, Thoden, J.B, Holden, H.M. Deposit date: 2024-01-20 Release date: 2024-01-31 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Biochemical Investigation of the Enzymes Required for the Production of 2,3,4-triacetoamido-2,3,4-trideoxy-l-arabinose in Psychrobacter cryohalolentis K5 To Be Published
8VR3	crystal structure of the Pcryo_0618 aminotransferase from Psychrobacter cryohalolentis K5 in the presence of its internal aldimine Descriptor: 1,2-ETHANEDIOL, 2,2'-(1,4-diazepane-1,4-diyl)di(ethane-1-sulfonic acid), CHLORIDE ION, ... Authors: Bockhaus, N.J, Thoden, J.B, Holden, H.M. Deposit date: 2024-01-20 Release date: 2024-01-31 Method: X-RAY DIFFRACTION (2 Å) Cite: Biochemical Investigation of the Enzymes Required for the Production of 2,3,4-triacetoamido-2,3,4-trideoxy-l-arabinose in Psychrobacter cryohalolentis K5 To Be Published
8X83	The cryo-EM structure of insect gustatory receptor Gr43a I418A from Drosophila melanogaster in complex with fructose Descriptor: Gustatory receptor for sugar taste 43a, SODIUM ION, beta-D-fructofuranose Authors: Ma, D, Guo, J. Deposit date: 2023-11-27 Release date: 2024-02-07 Last modified: 2024-03-06 Method: ELECTRON MICROSCOPY (2.8 Å) Cite: Structural basis for sugar perception by Drosophila gustatory receptors. Science, 383, 2024
8VR5	crystal structure of the Pcryo_0618 aminotransferase from Psychrobacter cryohalolentis K5 in the presence of PMP and glutamate Descriptor: 1,2-ETHANEDIOL, 2,2'-(1,4-diazepane-1,4-diyl)di(ethane-1-sulfonic acid), 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, ... Authors: Bockhaus, N.J, Thoden, J.B, Holden, H.M. Deposit date: 2024-01-20 Release date: 2024-01-31 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Biochemical Investigation of the Enzymes Required for the Production of 2,3,4-triacetoamido-2,3,4-trideoxy-l-arabinose in Psychrobacter cryohalolentis K5 To Be Published
8W0D	Crystal structure of Acetyl-CoA synthetase 2 from Candida albicans in complex with an isopropyl AMP ester inhibitor Descriptor: 5'-O-{(R)-hydroxy[(propan-2-yl)oxy]phosphoryl}adenosine, Acetyl-coenzyme A synthetase 2, CHLORIDE ION, ... Authors: Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID) Deposit date: 2024-02-13 Release date: 2024-02-21 Method: X-RAY DIFFRACTION (2.7 Å) Cite: Crystal structure of Acetyl-CoA synthetase 2 from Candida albicans in complex with an isopropyl AMP ester inhibitor To be published
8W0B	Crystal structure of Acetyl-CoA synthetase 2 from Candida albicans in complex with a cyclopropyl AMP ester inhibitor Descriptor: 5'-O-[(R)-(cyclopropyloxy)(hydroxy)phosphoryl]adenosine, Acetyl-coenzyme A synthetase 2, GLYCEROL, ... Authors: Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID) Deposit date: 2024-02-13 Release date: 2024-02-21 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Crystal structure of Acetyl-CoA synthetase 2 from Candida albicans in complex with a cyclopropyl AMP ester inhibitor To be published
8W0C	Crystal structure of Acetyl-CoA synthetase 2 from Candida albicans in complex with a cyclopentyl ester AMP inhibitor Descriptor: 5'-O-[(S)-(cyclopentyloxy)(hydroxy)phosphoryl]adenosine, Acetyl-coenzyme A synthetase 2, CHLORIDE ION, ... Authors: Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID) Deposit date: 2024-02-13 Release date: 2024-02-21 Method: X-RAY DIFFRACTION (2.35 Å) Cite: Crystal structure of Acetyl-CoA synthetase 2 from Candida albicans in complex with a cyclopentyl ester AMP inhibitor To be published
5PPR	PanDDA analysis group deposition -- Crystal Structure of BRD1 after initial refinement with no ligand modelled (structure 28) Descriptor: 1,2-ETHANEDIOL, Bromodomain-containing protein 1, SODIUM ION Authors: Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. Deposit date: 2017-02-07 Release date: 2017-03-29 Last modified: 2017-10-04 Method: X-RAY DIFFRACTION (2.69 Å) Cite: A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density. Nat Commun, 8, 2017
6C01	Human ectonucleotide pyrophosphatase / phosphodiesterase 3 (ENPP3, NPP3, CD203c) Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... Authors: Gorelik, A, Randriamihaja, A, Illes, K, Nagar, B. Deposit date: 2017-12-27 Release date: 2018-05-02 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Structural basis for nucleotide recognition by the ectoenzyme CD203c. FEBS J., 285, 2018
6C1E	NavAb NormoPP mutant Descriptor: (3ALPHA,5ALPHA,7ALPHA,8ALPHA,12ALPHA,14BETA,17ALPHA)-3,7,12-TRIHYDROXYCHOL-1-EN-24-AMIDE, 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 5-BETA-24-NOR-CHOLANE-3(ALPHA),7(ALPHA),12(ALPHA)-TRIOL, ... Authors: Catterall, W.A, Zheng, N, Jiang, D, Gamal El-Din, T.M. Deposit date: 2018-01-04 Release date: 2018-05-16 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (2.86 Å) Cite: Structural basis for gating pore current in periodic paralysis. Nature, 557, 2018
5PRK	PanDDA analysis group deposition -- Crystal Structure of BRD1 after initial refinement with no ligand modelled (structure 92) Descriptor: 1,2-ETHANEDIOL, Bromodomain-containing protein 1, SODIUM ION Authors: Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. Deposit date: 2017-02-07 Release date: 2017-03-29 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (2.23 Å) Cite: A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density. Nat Commun, 8, 2017
6C6F	Structure of glycolipid aGSA[26,P5p] in complex with mouse CD1d Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d1, Beta-2-microglobulin, ... Authors: Zajonc, D.M, Wang, J. Deposit date: 2018-01-18 Release date: 2019-01-30 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (1.67 Å) Cite: Structure-function analysis of sphingamides To Be Published
6C5B	Crystal Structure Analysis of LaPhzM Descriptor: 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, FORMIC ACID, Methyltransferase, ... Authors: Beltran, D.G, Schacht, A, Zhang, L. Deposit date: 2018-01-15 Release date: 2018-03-21 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (1.42 Å) Cite: Functional and Structural Analysis of Phenazine O-Methyltransferase LaPhzM from Lysobacter antibioticus OH13 and One-Pot Enzymatic Synthesis of the Antibiotic Myxin. ACS Chem. Biol., 13, 2018
8U4F	Crystal Structure of BlCel9A from Glycoside Hydrolase Family 9 in Complex with Cellohexaose Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, CHLORIDE ION, ... Authors: Araujo, E.A, Polikarpov, I. Deposit date: 2023-09-10 Release date: 2024-02-14 Method: X-RAY DIFFRACTION (2.01 Å) Cite: Molecular mechanism of cellulose depolymerization by the two-domain BlCel9A enzyme from the glycoside hydrolase family 9. Carbohydr Polym, 329, 2024
8U4A	Crystal Structure of BlCel9A from Glycoside Hydrolase Family 9 in Complex with Cellotriose Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, CHLORIDE ION, ... Authors: Araujo, E.A, Polikarpov, I. Deposit date: 2023-09-10 Release date: 2024-02-14 Method: X-RAY DIFFRACTION (1.97 Å) Cite: Molecular mechanism of cellulose depolymerization by the two-domain BlCel9A enzyme from the glycoside hydrolase family 9. Carbohydr Polym, 329, 2024

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