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5O9S
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BU of 5o9s by Molmil
HsNMT1 in complex with CoA and Myristoylated-GKSNSKLK octapeptide
Descriptor: CHLORIDE ION, GLYCEROL, Glycylpeptide N-tetradecanoyltransferase 1, ...
Authors:Dian, C, Meinnel, T, Giglione, C.
Deposit date:2017-06-20
Release date:2018-06-27
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural and genomic decoding of human and plant myristoylomes reveals a definitive recognition pattern.
Nat. Chem. Biol., 14, 2018
5NVG
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BU of 5nvg by Molmil
Thr12 Phosphorylated Ubiquitin
Descriptor: DI(HYDROXYETHYL)ETHER, PHOSPHATE ION, Polyubiquitin-B
Authors:Huguenin-Dezot, N.
Deposit date:2017-05-04
Release date:2017-05-31
Last modified:2017-09-13
Method:X-RAY DIFFRACTION (1.07 Å)
Cite:Biosynthesis and genetic encoding of phosphothreonine through parallel selection and deep sequencing.
Nat. Methods, 14, 2017
5N9T
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BU of 5n9t by Molmil
Crystal structure of USP7 in complex with a potent, selective and reversible small-molecule inhibitor
Descriptor: 3-[4-(aminomethyl)phenyl]-2-methyl-6-[[4-oxidanyl-1-[(3~{R})-4,4,4-tris(fluoranyl)-3-phenyl-butanoyl]piperidin-4-yl]methyl]pyrazolo[4,3-d]pyrimidin-7-one, GLYCEROL, SULFATE ION, ...
Authors:Harrison, T, Gavory, G, O'Dowd, C, Helm, M, Flasz, J, Arkoudis, E, Dossang, A, Hughes, C, Cassidy, E, McClelland, K, Odrzywol, E, Page, N, Barker, O, Miel, H.
Deposit date:2017-02-27
Release date:2017-12-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Discovery and characterization of highly potent and selective allosteric USP7 inhibitors.
Nat. Chem. Biol., 14, 2018
5O9T
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BU of 5o9t by Molmil
HsNMT1 in complex with CoA and acetylated-NCFSKPK peptide
Descriptor: 1IP-CYS-PHE-SER-LYS-PRO-ARG, CHLORIDE ION, GLYCEROL, ...
Authors:Dian, C, Meinnel, T, Giglione, C.
Deposit date:2017-06-20
Release date:2018-06-27
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural and genomic decoding of human and plant myristoylomes reveals a definitive recognition pattern.
Nat. Chem. Biol., 14, 2018
6U7O
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BU of 6u7o by Molmil
HIV-1 wild type protease with GRL-00819A, with phenyl-boronic-acid as P2'-ligand and with a 6-5-5-ring fused crown-like tetrahydropyranofuran as the P2-ligand
Descriptor: CHLORIDE ION, FORMIC ACID, GLYCEROL, ...
Authors:Wang, Y.-F, Kneller, D.W, Weber, I.T.
Deposit date:2019-09-03
Release date:2019-10-09
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.33 Å)
Cite:Potent HIV-1 Protease Inhibitors Containing Carboxylic and Boronic Acids: Effect on Enzyme Inhibition and Antiviral Activity and Protein-Ligand X-ray Structural Studies.
Chemmedchem, 14, 2019
6U7P
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BU of 6u7p by Molmil
HIV-1 wild type protease with GRL-03119A, with phenyl-boronic-acid as P2'-ligand and with a hexahydro-4H-furo-pyran as the P2-ligand
Descriptor: CHLORIDE ION, FORMIC ACID, GLYCEROL, ...
Authors:Wang, Y.-F, Kneller, D.W, Weber, I.T.
Deposit date:2019-09-03
Release date:2019-10-09
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.13 Å)
Cite:Potent HIV-1 Protease Inhibitors Containing Carboxylic and Boronic Acids: Effect on Enzyme Inhibition and Antiviral Activity and Protein-Ligand X-ray Structural Studies.
Chemmedchem, 14, 2019
5O9U
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BU of 5o9u by Molmil
HsNMT1 in complex with CoA and Myristoylated-GCSVSKKK octapeptide
Descriptor: COENZYME A, Calcineurin B-like protein 4, GLYCEROL, ...
Authors:Dian, C, Meinnel, T, Giglione, C.
Deposit date:2017-06-20
Release date:2018-06-27
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural and genomic decoding of human and plant myristoylomes reveals a definitive recognition pattern.
Nat. Chem. Biol., 14, 2018
5NQ2
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BU of 5nq2 by Molmil
'Porcine (Sus scrofa) Major Histocompatibility Complex, class I, presenting IAYERMCNI
Descriptor: 1,2-ETHANEDIOL, Beta-2-microglobulin, CALCIUM ION, ...
Authors:Rizkallah, P.J, Tungatt, K, Sewell, A.K.
Deposit date:2017-04-19
Release date:2018-04-25
Last modified:2019-05-08
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Induction of influenza-specific local CD8 T-cells in the respiratory tract after aerosol delivery of vaccine antigen or virus in the Babraham inbred pig.
Plos Pathog., 14, 2018
5OEV
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BU of 5oev by Molmil
The structure of a glutathione synthetase like-effector (GSS22) from Globodera pallida in apoform.
Descriptor: Glutathione synthetase-like effector 22 (Gpa-GSS22-apo)
Authors:Lilley, C.J, Maqbool, A, Wu, D, Yusup, H.B, Jones, L.M, Birch, P.R.J, Banfield, M.J, Urwin, P.E, Eves-van den Akker, S.
Deposit date:2017-07-10
Release date:2018-04-25
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Effector gene birth in plant parasitic nematodes: Neofunctionalization of a housekeeping glutathione synthetase gene.
PLoS Genet., 14, 2018
5OEU
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BU of 5oeu by Molmil
The structure of a glutathione synthetase like-effector (GSS22) from Globodera pallida in ADP-bound closed conformation.
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Glutathione synthetase-like effector 22 (Gpa-GSS22-closed), MAGNESIUM ION
Authors:Lilley, C.J, Maqbool, A, Wu, D, Yusup, H.B, Jones, L.M, Birch, P.R.J, Banfield, M.J, Urwin, P.E, Eves-van den Akker, S.
Deposit date:2017-07-10
Release date:2018-04-25
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:Effector gene birth in plant parasitic nematodes: Neofunctionalization of a housekeeping glutathione synthetase gene.
PLoS Genet., 14, 2018
5OK3
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BU of 5ok3 by Molmil
Crystal Structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compounds RKp241 and Fasudil
Descriptor: 5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE, UPF0418 protein FAM164A, cAMP-dependent protein kinase catalytic subunit alpha
Authors:Mueller, J.M, Heine, A, Klebe, G.
Deposit date:2017-07-25
Release date:2018-08-08
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.588 Å)
Cite:Diamondoid Amino Acid-Based Peptide Kinase A Inhibitor Analogues.
Chemmedchem, 14, 2019
5NNO
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BU of 5nno by Molmil
Structure of TbALDH3 complexed with NAD and AN3057 aldehyde
Descriptor: 4-[(1-oxidanyl-3~{H}-2,1-benzoxaborol-5-yl)oxy]benzaldehyde, Aldehyde dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Zoltner, M, Zhang, N, Horn, D, Field, M.C.
Deposit date:2017-04-10
Release date:2017-04-19
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Host-parasite co-metabolic activation of antitrypanosomal aminomethyl-benzoxaboroles.
PLoS Pathog., 14, 2018
5NQ1
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BU of 5nq1 by Molmil
Porcine (Sus scrofa) Major Histocompatibility Complex, class I, with human beta2 micro globulin, presenting DFEREGYSL
Descriptor: 1,2-ETHANEDIOL, ASP-PHE-GLU-ARG-GLU-GLY-TYR-SER-LEU, Beta-2-microglobulin, ...
Authors:Rizkallah, P.J, Tungatt, K, Sewell, A.K.
Deposit date:2017-04-19
Release date:2018-04-25
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Induction of influenza-specific local CD8 T-cells in the respiratory tract after aerosol delivery of vaccine antigen or virus in the Babraham inbred pig.
Plos Pathog., 14, 2018
6SL9
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BU of 6sl9 by Molmil
High resolution apo structure of isomerase PaaG
Descriptor: Enoyl-CoA hydratase/carnithine racemase, GLYCEROL
Authors:Saleem-Batcha, R, Spieker, M, Teufel, R.
Deposit date:2019-08-19
Release date:2019-12-11
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.27 Å)
Cite:Structural and Mechanistic Basis of an Oxepin-CoA Forming Isomerase in Bacterial Primary and Secondary Metabolism.
Acs Chem.Biol., 14, 2019
6SFB
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BU of 6sfb by Molmil
EED in complex with a triazolopyrimidine
Descriptor: GLYCEROL, N-(2,3-dihydro-1-benzofuran-4-ylmethyl)-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine, Polycomb protein EED
Authors:Read, J.A.
Deposit date:2019-08-01
Release date:2019-09-25
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Rapid Identification of Novel Allosteric PRC2 Inhibitors.
Acs Chem.Biol., 14, 2019
5OC0
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BU of 5oc0 by Molmil
Structure of E. coli superoxide oxidase
Descriptor: Cytochrome b561, GLYCEROL, MAGNESIUM ION, ...
Authors:Lundgren, C.A.K, Sjostrand, D, Biner, O, Bennett, M, von Ballmoos, C, Hogbom, M.
Deposit date:2017-06-29
Release date:2018-06-20
Last modified:2018-11-07
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Scavenging of superoxide by a membrane-bound superoxide oxidase.
Nat. Chem. Biol., 14, 2018
5OES
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BU of 5oes by Molmil
The structure of a glutathione synthetase (StGSS1) from Solanum tuberosum in ADP and y-EC bound closed conformation.
Descriptor: ADENOSINE-5'-DIPHOSPHATE, GAMMA-GLUTAMYLCYSTEINE, Glutathione synthetase, ...
Authors:Lilley, C.J, Maqbool, A, Wu, D, Yusup, H.B, Jones, L.M, Birch, P.R.J, Banfield, M.J, Urwin, P.E, Eves-van den Akker, S.
Deposit date:2017-07-10
Release date:2018-04-25
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Effector gene birth in plant parasitic nematodes: Neofunctionalization of a housekeeping glutathione synthetase gene.
PLoS Genet., 14, 2018
5O9V
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BU of 5o9v by Molmil
HsNMT1 in complex with CoA and Myristoylated-GGCFSKPK octapeptide
Descriptor: Apoptosis-inducing factor 3, CHLORIDE ION, COENZYME A, ...
Authors:Dian, C, Meinnel, T, Giglione, C.
Deposit date:2017-06-20
Release date:2018-06-27
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.201 Å)
Cite:Structural and genomic decoding of human and plant myristoylomes reveals a definitive recognition pattern.
Nat. Chem. Biol., 14, 2018
5OGB
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BU of 5ogb by Molmil
Human Cellular Retinoic Acid Binding Protein II (CRABPII) with bound synthetic retinoid DC360.
Descriptor: 4-[2-(4,4-dimethyl-1-propan-2-yl-quinolin-6-yl)ethynyl]benzoic acid, Cellular retinoic acid-binding protein 2
Authors:Chisholm, D, Tomlinson, C, Whiting, A, Pohl, E.
Deposit date:2017-07-12
Release date:2018-10-24
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Fluorescent Retinoic Acid Analogues as Probes for Biochemical and Intracellular Characterization of Retinoid Signaling Pathways.
Acs Chem.Biol., 14, 2019
5OET
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BU of 5oet by Molmil
The structure of a glutathione synthetase like-effector (GSS30) from Globodera pallida in apoform.
Descriptor: Glutathione synthetase-like effector 30 (Gpa-GSS30-apo), MAGNESIUM ION
Authors:Lilley, C.J, Maqbool, A, Wu, D, Yusup, H.B, Jones, L.M, Birch, P.R.J, Banfield, M.J, Urwin, P.E, Eves-van den Akker, S.
Deposit date:2017-07-10
Release date:2018-04-25
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:Effector gene birth in plant parasitic nematodes: Neofunctionalization of a housekeeping glutathione synthetase gene.
PLoS Genet., 14, 2018
5OVN
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BU of 5ovn by Molmil
Crystal Structure of FIV Reverse Transcriptase
Descriptor: POL protein
Authors:Galilee, M, Alian, A.
Deposit date:2017-08-29
Release date:2018-01-17
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.942 Å)
Cite:The structure of FIV reverse transcriptase and its implications for non-nucleoside inhibitor resistance.
PLoS Pathog., 14, 2018
3RIE
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BU of 3rie by Molmil
The structure of Plasmodium falciparum spermidine synthase in complex with 5'-methylthioadenosine and N-(3-aminopropyl)-trans-cyclohexane-1,4-diamine
Descriptor: 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, 5'-DEOXY-5'-METHYLTHIOADENOSINE, GLYCEROL, ...
Authors:Williams, M, Sprenger, J, Persson, L, Louw, A.I, Birkholtz, L, Al-Karadaghi, S.
Deposit date:2011-04-13
Release date:2012-04-25
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A novel inhibitor of Plasmodium falciparum spermidine synthase: a twist in the tail.
Malar J, 14, 2015
3RBQ
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BU of 3rbq by Molmil
Co-crystal structure of human UNC119 (retina gene 4) and an N-terminal Transducin-alpha mimicking peptide
Descriptor: Guanine nucleotide-binding protein G(t) subunit alpha-1, Protein unc-119 homolog A
Authors:Constantine, R, Whitby, F.G, Hill, C.P, Baehr, W.
Deposit date:2011-03-29
Release date:2011-06-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:UNC119 is required for G protein trafficking in sensory neurons.
Nat.Neurosci., 14, 2011
7YNX
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BU of 7ynx by Molmil
Crystal structure of Pirh2 bound to poly-Ala peptide
Descriptor: RING finger and CHY zinc finger domain-containing protein 1, SODIUM ION, SULFATE ION, ...
Authors:Dong, C, Yan, X, Li, Y.
Deposit date:2022-08-01
Release date:2023-04-26
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Recognition of an Ala-rich C-degron by the E3 ligase Pirh2.
Nat Commun, 14, 2023
7YTW
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BU of 7ytw by Molmil
Structural basis of vitamin C recognition and transport by mammalian SVCT1 transporter
Descriptor: ASCORBIC ACID, SODIUM ION, Solute carrier family 23 member 1
Authors:She, J, Wang, M, He, J, Zhang, K, Li, S.
Deposit date:2022-08-16
Release date:2023-05-03
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structural basis of vitamin C recognition and transport by mammalian SVCT1 transporter.
Nat Commun, 14, 2023

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