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8PBS
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BU of 8pbs by Molmil
Mutant K1482M of the dihydroorotase domain of human CAD protein in apo form
Descriptor: CAD protein, FORMIC ACID, GLYCEROL, ...
Authors:del Cano-Ochoa, F, Ramon-Maiques, S.
Deposit date:2023-06-09
Release date:2023-11-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Beyond genetics: Deciphering the impact of missense variants in CAD deficiency.
J Inherit Metab Dis, 46, 2023
7PSJ
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BU of 7psj by Molmil
Crystal structure of beta-glucuronidase from Acidobacterium capsulatum in complex with covalent inhibitor VL166
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-(2R,3S,5R,6R)-2,3,4,5,6-pentakis(oxidanyl)cyclohexane-1-carboxylic acid, Beta-glucuronidase
Authors:Armstrong, Z, Wu, L, Davies, G.J.
Deposit date:2021-09-23
Release date:2022-08-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Mechanism-based heparanase inhibitors reduce cancer metastasis in vivo.
Proc.Natl.Acad.Sci.USA, 119, 2022
8SIP
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BU of 8sip by Molmil
Structure of a mouse IgG antibody fragment that binds Inosine, an RNA modification
Descriptor: INOSINE, Inosine binding IgG Fab, heavy chain, ...
Authors:Aoki, S.T.
Deposit date:2023-04-16
Release date:2024-02-07
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Structure of a mouse IgG antibody fragment that binds Inosine, an RNA modification
To Be Published
5E2L
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BU of 5e2l by Molmil
3-deoxy-D-arabino-heptulosonate 7-phosphate synthase from Mycobacterium tuberculosis in complex with D-phenylalanine
Descriptor: 3-deoxy-D-arabinoheptulosonate-7-phosphate synthase, CHLORIDE ION, D-PHENYLALANINE, ...
Authors:Reichau, S, Jiao, W, Parker, E.J.
Deposit date:2015-10-01
Release date:2016-06-01
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Probing the Sophisticated Synergistic Allosteric Regulation of Aromatic Amino Acid Biosynthesis in Mycobacterium tuberculosis Using -Amino Acids.
Plos One, 11, 2016
7PTH
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BU of 7pth by Molmil
C54S mutant of choline-sulfatase from E. meliloti CECT4857 bound to choline
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, CALCIUM ION, ...
Authors:Gavira, J.A, Martinez-Rodriguez, S.
Deposit date:2021-09-27
Release date:2022-08-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural insights into choline-O-sulfatase reveal the molecular determinants for ligand binding.
Acta Crystallogr D Struct Biol, 78, 2022
7TGK
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BU of 7tgk by Molmil
Crystal structure of ATP bound DesD, the desferrioxamine synthetase from the Streptomyces griseoflavus ferrimycin biosynthetic pathway
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Patel, K.D, Gulick, A.M.
Deposit date:2022-01-07
Release date:2022-07-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:An acyl-adenylate mimic reveals the structural basis for substrate recognition by the iterative siderophore synthetase DesD.
J.Biol.Chem., 298, 2022
8SUD
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BU of 8sud by Molmil
JC Polyomavirus LTA NLS bound to importin alpha 2
Descriptor: Importin subunit alpha-1, Large T antigen
Authors:Cross, E.M, Forwood, J.K, Alvisi, G.
Deposit date:2023-05-12
Release date:2024-02-07
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A functional and structural comparative analysis of large tumor antigens reveals evolution of different importin alpha-dependent nuclear localization signals.
Protein Sci., 33, 2024
7PR6
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BU of 7pr6 by Molmil
Crystal structure of E. coli beta-glucuronidase in complex with covalent inhibitor ME727
Descriptor: (2R,3S,5R,6R)-2,3,4,5,6-pentakis(oxidanyl)cyclohexane-1-carboxylic acid, Beta-glucuronidase
Authors:Wu, L, Armstrong, Z, Davies, G.J.
Deposit date:2021-09-20
Release date:2022-08-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Mechanism-based heparanase inhibitors reduce cancer metastasis in vivo.
Proc.Natl.Acad.Sci.USA, 119, 2022
7YPR
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BU of 7ypr by Molmil
Structural basis of a superoxide dismutase from a tardigrade, Ramazzottius varieornatus strain YOKOZUNA-1.
Descriptor: COPPER (II) ION, POTASSIUM ION, Superoxide dismutase [Cu-Zn], ...
Authors:Sim, K.-S, Fukuda, Y, Inoue, T.
Deposit date:2022-08-04
Release date:2023-12-06
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.101 Å)
Cite:Structure of a superoxide dismutase from a tardigrade: Ramazzottius varieornatus strain YOKOZUNA-1.
Acta Crystallogr.,Sect.F, 79, 2023
5UV4
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BU of 5uv4 by Molmil
Crystal Structure of Maize SIRK1 (sucrose-induced receptor kinase 1) kinase domain bound to AMP-PNP
Descriptor: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Putative leucine-rich repeat protein kinase family protein
Authors:Counago, R.M, Aquino, B, Massirer, K.B, Gileadi, O, Arruda, P, Structural Genomics Consortium (SGC)
Deposit date:2017-02-17
Release date:2017-04-26
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structure of Maize SIRK1 (sucrose-induced receptor kinase 1) kinase domain bound to AMP-PNP
To Be Published
8PND
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BU of 8pnd by Molmil
The ES3 intermediate of hydroxymethylbilane synthase R167Q variant
Descriptor: 1,2-ETHANEDIOL, 3-[4-(2-hydroxy-2-oxoethyl)-5-[[4-(2-hydroxy-2-oxoethyl)-5-[[4-(2-hydroxy-2-oxoethyl)-5-[[4-(2-hydroxy-2-oxoethyl)-5-[[4-(2-hydroxy-2-oxoethyl)-3-(3-hydroxy-3-oxopropyl)-5-methyl-1~{H}-pyrrol-2-yl]methyl]-3-(3-hydroxy-3-oxopropyl)-1~{H}-pyrrol-2-yl]methyl]-3-(3-hydroxy-3-oxopropyl)-1~{H}-pyrrol-2-yl]methyl]-3-(3-hydroxy-3-oxopropyl)-1~{H}-pyrrol-2-yl]methyl]-1~{H}-pyrrol-3-yl]propanoic acid, GLYCEROL, ...
Authors:Saeter, M.C, Bustad, H.J, Laitaoja, M, Janis, J, Martinez, A, Aarsand, A.K, Kallio, J.P.
Deposit date:2023-06-30
Release date:2023-11-01
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:One ring closer to a closure: the crystal structure of the ES 3 hydroxymethylbilane synthase intermediate.
Febs J., 291, 2024
7MWH
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BU of 7mwh by Molmil
Crystal structure of BAZ2A with DNA
Descriptor: Bromodomain adjacent to zinc finger domain protein 2A, DNA (5'-D(*CP*GP*GP*AP*AP*TP*GP*TP*AP*GP*GP*C)-3'), DNA (5'-D(*GP*CP*CP*TP*AP*(5CM)P*AP*TP*TP*CP*CP*G)-3'), ...
Authors:Liu, K, Dong, A, Li, Y, Loppnau, P, Edwards, A.M, Arrowsmith, C.H, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2021-05-17
Release date:2022-08-31
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Crystal structure of the BAZ2B TAM domain.
Heliyon, 8, 2022
7PZV
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BU of 7pzv by Molmil
LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria
Descriptor: (2S,4S)-N-[(3R,5R)-1-cyclopropylcarbonyl-5-[[[4-[2-[4-[(1S)-2-methoxy-1-oxidanyl-ethyl]phenyl]ethynyl]phenyl]carbonylamino]methyl]pyrrolidin-3-yl]-4-fluoranyl-pyrrolidine-2-carboxamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION
Authors:Ryan, M.D, Pallin, T.D, Lamers, M.B.A.C, Leonard, P.M.
Deposit date:2021-10-13
Release date:2022-11-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria
To Be Published
8Q2E
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BU of 8q2e by Molmil
The 1.68-A X-ray crystal structure of Sporosarcina pasteurii urease inhibited by thiram and bound to dimethylditiocarbamate
Descriptor: 1,2-ETHANEDIOL, HYDROXIDE ION, NICKEL (II) ION, ...
Authors:Mazzei, L, Cianci, M, Ciurli, S.
Deposit date:2023-08-02
Release date:2023-11-01
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Kinetic and structural details of urease inactivation by thiuram disulphides.
J.Inorg.Biochem., 250, 2023
7TTJ
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BU of 7ttj by Molmil
Stable-5-LOX elongated Ha2
Descriptor: Arachidonate 5-lipoxygenase, FE (II) ION
Authors:Gilbert, N.C, Newcomer, M.E.
Deposit date:2022-02-01
Release date:2022-08-31
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Helical remodeling augments 5-lipoxygenase activity in the synthesis of proinflammatory mediators.
J.Biol.Chem., 298, 2022
5HWE
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BU of 5hwe by Molmil
high resolution structure of barbiturase
Descriptor: (CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID, Barbiturase, MAGNESIUM ION, ...
Authors:Peat, T.S, Scott, C.
Deposit date:2016-01-29
Release date:2017-02-01
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:High-Resolution X-Ray Structures of Two Functionally Distinct Members of the Cyclic Amide Hydrolase Family of Toblerone Fold Enzymes.
Appl. Environ. Microbiol., 83, 2017
7TZ9
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BU of 7tz9 by Molmil
Structure of PQS Response Protein PqsE(E182W) Variant
Descriptor: FE (III) ION, Quinolone signal response protein
Authors:Jeffrey, P.D, Taylor, I.R, Bassler, B.L.
Deposit date:2022-02-15
Release date:2022-08-31
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:The PqsE Active Site as a Target for Small Molecule Antimicrobial Agents against Pseudomonas aeruginosa.
Biochemistry, 61, 2022
7Q0Q
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BU of 7q0q by Molmil
Acetyltrasferase(3) type IIIa in complex with 3-N-methyl-nemycin B
Descriptor: 3N methyl nemycin B, ACETATE ION, Aminoglycoside N(3)-acetyltransferase III, ...
Authors:Pontillo, N, Guskov, A.
Deposit date:2021-10-16
Release date:2022-11-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:The 3-N-alkylation of the neomycin B outmaneuvers the aminoglycoside resistant enzyme acetyltransferase(3)IIIa via an unexpected mechanism
To Be Published
5DW3
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BU of 5dw3 by Molmil
Tryptophan Synthase beta-subunit from Pyrococcus furiosus with product L-tryptophan non-covalently bound in the active site
Descriptor: PHOSPHATE ION, SODIUM ION, TRYPTOPHAN, ...
Authors:Buller, A.R, Arnold, F.H.
Deposit date:2015-09-22
Release date:2015-11-11
Last modified:2019-12-25
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Directed evolution of the tryptophan synthase beta-subunit for stand-alone function recapitulates allosteric activation.
Proc.Natl.Acad.Sci.USA, 112, 2015
7MZQ
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BU of 7mzq by Molmil
Crystal structure of the UcaD lectin-binding domain in complex with fucose
Descriptor: CHLORIDE ION, Fimbrial adhesin UcaD, beta-L-fucopyranose
Authors:Ve, T, Lo, A.W, Schembri, M.A, Kobe, B.
Deposit date:2021-05-24
Release date:2022-07-06
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Ucl fimbriae regulation and glycan receptor specificity contribute to gut colonisation by extra-intestinal pathogenic Escherichia coli.
Plos Pathog., 18, 2022
6NJZ
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BU of 6njz by Molmil
EphA2 LBD in complex with YSA-GSGSK-bio peptide
Descriptor: BIOTIN, Ephrin type-A receptor 2, GLYCEROL, ...
Authors:Lechtenberg, B.C, Pasquale, E.B.
Deposit date:2019-01-04
Release date:2019-05-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Engineering nanomolar peptide ligands that differentially modulate EphA2 receptor signaling.
J.Biol.Chem., 294, 2019
7PSH
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BU of 7psh by Molmil
Crystal structure of beta-glucuronidase from Acidobacterium capsulatum at 1.24 Angstrom resolution
Descriptor: Beta-glucuronidase
Authors:Armstrong, Z, Wu, L, Davies, G.J.
Deposit date:2021-09-23
Release date:2022-08-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.24 Å)
Cite:Mechanism-based heparanase inhibitors reduce cancer metastasis in vivo.
Proc.Natl.Acad.Sci.USA, 119, 2022
8W1E
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BU of 8w1e by Molmil
Crystal Structure of DPS-like protein PA4880 from Pseudomonas aeruginosa (dodecamer)
Descriptor: DPS-LIKE PROTEIN, FE (II) ION, SULFATE ION
Authors:Lovell, S, Liu, L, Seibold, S, Battaile, K.P, Rivera, M.
Deposit date:2024-02-15
Release date:2024-05-29
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Pseudomonas aeruginosa gene PA4880 encodes a Dps-like protein with a Dps fold, bacterioferritin-type ferroxidase centers, and endonuclease activity.
Front Mol Biosci, 11, 2024
7MZO
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BU of 7mzo by Molmil
Crystal structure of the UcaD lectin-binding domain
Descriptor: CHLORIDE ION, Fimbrial adhesin UcaD
Authors:Ve, T, Lo, A.W, Schembri, M.A, Kobe, B.
Deposit date:2021-05-24
Release date:2022-07-06
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Ucl fimbriae regulation and glycan receptor specificity contribute to gut colonisation by extra-intestinal pathogenic Escherichia coli.
Plos Pathog., 18, 2022
7PZS
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BU of 7pzs by Molmil
LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria
Descriptor: (2S,4S)-N-((3R,5R)-5-((2-chloro-4-((4-(morpholinomethyl)phenyl)ethynyl)benzamido)methyl)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl)-4-fluoropyrrolidine-2-carboxamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION
Authors:Ryan, M.D, Pallin, T.D, Lamers, M.B.A.C, Leonard, P.M.
Deposit date:2021-10-13
Release date:2022-11-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria
To Be Published

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