5MVC
 
 | | Crystal structure of potent human Dihydroorotate Dehydrogenase inhibitors based on hydroxylated azole scaffolds | | Descriptor: | 4-oxidanyl-~{N}-[2,3,5,6-tetrakis(fluoranyl)-4-phenyl-phenyl]-1,2,5-thiadiazole-3-carboxamide, ACETATE ION, CHLORIDE ION, ... | | Authors: | Goyal, P, Andersson, M, Moritzer, A.C, Sainas, S, Pippione, A.C, Boschi, D, Al-Kadaraghi, S, Lolli, M, Friemann, R. | | Deposit date: | 2017-01-16 | | Release date: | 2017-03-08 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Design, synthesis, biological evaluation and X-ray structural studies of potent human dihydroorotate dehydrogenase inhibitors based on hydroxylated azole scaffolds.
Eur J Med Chem, 129, 2017
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4RG3
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1KDT
 | | CYTIDINE MONOPHOSPHATE KINASE FROM E.COLI IN COMPLEX WITH 2',3'-DIDEOXY-CYTIDINE MONOPHOSPHATE | | Descriptor: | 2',3'-DIDEOXYCYTIDINE-5'-MONOPHOSPHATE, CYTIDYLATE KINASE, SULFATE ION | | Authors: | Bertrand, T, Briozzo, P, Assairi, L, Ofiteru, A, Bucurenci, N, Munier-Lehmann, H, Golinelli-Pimpaneau, B, Barzu, O, Gilles, A.M. | | Deposit date: | 2001-11-13 | | Release date: | 2002-01-22 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Sugar specificity of bacterial CMP kinases as revealed by crystal structures and mutagenesis of Escherichia coli enzyme.
J.Mol.Biol., 315, 2002
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8OQ2
 | | Binding of NADP to a formate dehydrogenase from Starkeya novella. | | Descriptor: | AZIDE ION, Formate dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Partipilo, M, Whittaker, J.J, Pontillo, N, Guskov, A, Slotboom, D.J. | | Deposit date: | 2023-04-10 | | Release date: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | Binding of NADP to a formate dehydrogenase from Starkeya novella.
To Be Published
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8G3B
 | | BceAB-S nucleotide free TM state 2 | | Descriptor: | Bacitracin export ATP-binding protein BceA, Bacitracin export permease protein BceB, OLEIC ACID, ... | | Authors: | George, N.L, Orlando, B.J. | | Deposit date: | 2023-02-07 | | Release date: | 2023-06-21 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Architecture of a complete Bce-type antimicrobial peptide resistance module.
Nat Commun, 14, 2023
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4R0F
 | | Structure of Lysozyme Dimer at 318K | | Descriptor: | GLYCEROL, Lysozyme C | | Authors: | Sharma, P, Ashish | | Deposit date: | 2014-07-31 | | Release date: | 2015-07-22 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.941 Å) | | Cite: | Characterization of heat induced spherulites of lysozyme reveals new insight on amyloid initiation.
Sci Rep, 6, 2016
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1RPS
 | | Crystallographic Analysis of the Interaction of Nitric Oxide with Quaternary-T Human Hemoglobin. Hemoglobin exposed to NO under anerobic conditions | | Descriptor: | Hemoglobin alpha chain, Hemoglobin beta chain, NITRIC OXIDE, ... | | Authors: | Chan, N.-L, Kavanaugh, J.S, Rogers, P.H, Arnone, A. | | Deposit date: | 2003-12-03 | | Release date: | 2003-12-23 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | Crystallographic analysis of the interaction of nitric oxide with quaternary-T human hemoglobin.
Biochemistry, 43, 2004
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4JPF
 | | Structure of wild type Pseudomonas aeruginosa FabF (KASII) in Complex with ligand | | Descriptor: | 3-(benzoylamino)-2-hydroxybenzoic acid, 3-oxoacyl-[acyl-carrier-protein] synthase 2, MAGNESIUM ION, ... | | Authors: | Baum, B, Brenk, R, Jaenicke, E. | | Deposit date: | 2013-03-19 | | Release date: | 2014-04-02 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | Structures of Pseudomonas aeruginosa beta-ketoacyl-(acyl-carrier-protein) synthase II (FabF) and a C164Q mutant provide templates for antibacterial drug discovery and identify a buried potassium ion and a ligand-binding site that is an artefact of the crystal form.
Acta Crystallogr F Struct Biol Commun, 71, 2015
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8G3F
 | | BceAB-S nucleotide free BceS state 1 | | Descriptor: | Bacitracin export ATP-binding protein BceA, Bacitracin export permease protein BceB, OLEIC ACID, ... | | Authors: | George, N.L, Orlando, B.J. | | Deposit date: | 2023-02-07 | | Release date: | 2023-06-21 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Architecture of a complete Bce-type antimicrobial peptide resistance module.
Nat Commun, 14, 2023
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5URI
 | | Rat CYPOR/D632A with 2'-AMP | | Descriptor: | ADENOSINE-2'-MONOPHOSPHATE, FLAVIN MONONUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Xia, C, Kim, J.J. | | Deposit date: | 2017-02-10 | | Release date: | 2018-02-14 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural and Kinetic Studies of Asp632 Mutants and Fully Reduced NADPH-Cytochrome P450 Oxidoreductase Define the Role of Asp632 Loop Dynamics in the Control of NADPH Binding and Hydride Transfer.
Biochemistry, 57, 2018
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1KEY
 | | Crystal Structure of Mouse Testis/Brain RNA-binding Protein (TB-RBP) | | Descriptor: | translin | | Authors: | Pascal, J.M, Hart, P.J, Hecht, N.B, Robertus, J.D. | | Deposit date: | 2001-11-19 | | Release date: | 2002-07-03 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Crystal Structure of TB-RBP, a Novel RNA-binding and Regulating Protein
J.Mol.Biol., 319, 2002
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6BU7
 | | Crystal structure of Trypanothione Reductase from Trypanosoma brucei in complex with inhibitor RD130 1-[2-(Piperidin-4-yl)ethyl]-5-{5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-2-yl}-1H-indole | | Descriptor: | 1-[2-(piperidin-4-yl)ethyl]-5-{5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-2-yl}-1H-indole, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Bryson, S, De Gasparo, R, Krauth-Siegel, R.L, Diederich, F, Pai, E.F. | | Deposit date: | 2017-12-08 | | Release date: | 2018-06-06 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.73 Å) | | Cite: | Biological Evaluation and X-ray Co-crystal Structures of Cyclohexylpyrrolidine Ligands for Trypanothione Reductase, an Enzyme from the Redox Metabolism of Trypanosoma.
ChemMedChem, 13, 2018
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5MEX
 | | Sulphotransferase-18 from Arabidopsis thaliana in complex with 3'-phosphoadenosine 5'-phosphate (PAP)and sinigrin | | Descriptor: | 1,2-ETHANEDIOL, 1,3-BUTANEDIOL, 3'-PHOSPHATE-ADENOSINE-5'-DIPHOSPHATE, ... | | Authors: | Hirschmann, F, Krause, F, Baruch, P, Chizhov, I, Mueller, J.W, Manstein, D.J, Papenbrock, J, Fedorov, R. | | Deposit date: | 2016-11-16 | | Release date: | 2017-07-05 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Structural and biochemical studies of sulphotransferase 18 from Arabidopsis thaliana explain its substrate specificity and reaction mechanism.
Sci Rep, 7, 2017
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8DOK
 | | Cryo-EM structure of T/F100 SOSIP.664 HIV-1 Env trimer in complex with 8ANC195 and 10-1074 | | 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)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Chen, Y, Zhou, F, Huang, R, Tolbert, W, Pazgier, M. | | Deposit date: | 2022-07-13 | | Release date: | 2023-07-19 | | Last modified: | 2023-11-08 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Structure-function analyses reveal key molecular determinants of HIV-1 CRF01_AE resistance to the entry inhibitor temsavir.
Nat Commun, 14, 2023
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5MX2
 | | Photosystem II depleted of the Mn4CaO5 cluster at 2.55 A resolution | | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | | Authors: | Zhang, M, Bommer, M, Chatterjee, R, Hussain, R, Kern, J, Yano, J, Dau, H, Dobbek, H, Zouni, A. | | Deposit date: | 2017-01-20 | | Release date: | 2017-08-02 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.197 Å) | | Cite: | Structural insights into the light-driven auto-assembly process of the water-oxidizing Mn4CaO5-cluster in photosystem II.
Elife, 6, 2017
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6BUR
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8K7E
 | | Crystal structure of human lysosomal alpha-galactosidase A in complex with (2R,3R,4S,5R)-2-(aminomethyl)-5-(hydroxymethyl)pyrrolidine-3,4-diol | | Descriptor: | (2~{R},3~{R},4~{S},5~{R})-2-(aminomethyl)-5-(hydroxymethyl)pyrrolidine-3,4-diol, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Li, H.Y, Huang, K.F, Ko, T.P, Cheng, W.C. | | Deposit date: | 2023-07-26 | | Release date: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Mechanistic Insights into Dibasic Iminosugars as pH-Selective Pharmacological Chaperones to Stabilize Human alpha-Galactosidase.
Jacs Au, 4, 2024
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5UTP
 | | Crystal structure of Burkholderia cenocepacia family 3 glycoside hydrolase (NagZ) bound to N-ethylbutyryl-PUGNAc | | Descriptor: | Beta-hexosaminidase, N-[(2Z,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-{[(phenylcarbamoyl)oxy]imino}tetrahydro-2H-pyran-3-yl]-2-ethylbutanamide | | Authors: | Vadlamani, G, Mark, B.L. | | Deposit date: | 2017-02-15 | | Release date: | 2017-04-19 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Conformational flexibility of the glycosidase NagZ allows it to bind structurally diverse inhibitors to suppress beta-lactam antibiotic resistance.
Protein Sci., 26, 2017
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8FNB
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8BVJ
 | | Hfq-Crc-estA translation repression complex | | Descriptor: | Catabolite repression control protein, RNA-binding protein Hfq, estA mRNA | | Authors: | Dendooven, T, Luisi, B.F. | | Deposit date: | 2022-12-04 | | Release date: | 2023-01-25 | | Last modified: | 2023-02-08 | | Method: | ELECTRON MICROSCOPY (4.5 Å) | | Cite: | Translational regulation by Hfq-Crc assemblies emerges from polymorphic ribonucleoprotein folding.
Embo J., 42, 2023
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8K7K
 | | Crystal structure of human lysosomal alpha-galactosidase A in complex with (2R,3S,4R,5R)-2,5-bis(hydroxymethyl)-1-methylpyrrolidine-3,4-diol | | Descriptor: | (2~{R},3~{S},4~{R},5~{R})-2,5-bis(hydroxymethyl)-1-methyl-pyrrolidine-3,4-diol, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Li, H.Y, Huang, K.F, Ko, T.P, Cheng, W.C. | | Deposit date: | 2023-07-26 | | Release date: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Mechanistic Insights into Dibasic Iminosugars as pH-Selective Pharmacological Chaperones to Stabilize Human alpha-Galactosidase.
Jacs Au, 4, 2024
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5M7S
 | | Structure of human O-GlcNAc hydrolase with bound transition state analog ThiametG | | Descriptor: | (3AR,5R,6S,7R,7AR)-2-(ETHYLAMINO)-5-(HYDROXYMETHYL)-5,6,7,7A-TETRAHYDRO-3AH-PYRANO[3,2-D][1,3]THIAZOLE-6,7-DIOL, Protein O-GlcNAcase | | Authors: | Roth, C, Chan, S, Offen, W.A, Hemsworth, G.R, Willems, L.I, King, D, Varghese, V, Britton, R, Vocadlo, D.J, Davies, G.J. | | Deposit date: | 2016-10-28 | | Release date: | 2017-03-29 | | Last modified: | 2017-08-30 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural and functional insight into human O-GlcNAcase.
Nat. Chem. Biol., 13, 2017
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8BSG
 | | COMPLEX OF LEPORINE SERUM ALBUMIN WITH DICLOFENAC | | Descriptor: | (20S)-2,5,8,11,14,17-HEXAMETHYL-3,6,9,12,15,18-HEXAOXAHENICOSANE-1,20-DIOL, 2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID, ACETATE ION, ... | | Authors: | Bujacz, A, Talaj, J, Zielinski, K. | | Deposit date: | 2022-11-25 | | Release date: | 2023-02-08 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Structural Investigation of Diclofenac Binding to Ovine, Caprine, and Leporine Serum Albumins.
Int J Mol Sci, 24, 2023
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5MH5
 | | D-2-hydroxyacid dehydrogenases (D2-HDH) from Haloferax mediterranei in complex with 2-keto-hexanoic acid and NADP+ (1.4 A resolution) | | Descriptor: | 2-Ketohexanoic acid, D-2-hydroxyacid dehydrogenase, MAGNESIUM ION, ... | | Authors: | Bisson, C, Baker, P.J, Domenech Perez, J, Pramanpol, N, Harding, S.E, Rice, D.W, Ferrer, J. | | Deposit date: | 2016-11-23 | | Release date: | 2018-05-02 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Productive ternary complexes of D-2-hydroxyacid dehydrogenase provide insights into the chiral specificity of its reaction mechanism
To Be Published
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6C0D
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