5W0G
 
 | | Structure of U2AF65 (U2AF2) RRM1 at 1.07 resolution | | Descriptor: | 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, ACETATE ION, Splicing factor U2AF 65 kDa subunit, ... | | Authors: | Agrawal, A.A, Jenkins, J.L, Kielkopf, C.L. | | Deposit date: | 2017-05-30 | | Release date: | 2018-04-11 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.07 Å) | | Cite: | Cancer-Associated Mutations Mapped on High-Resolution Structures of the U2AF2 RNA Recognition Motifs.
Biochemistry, 56, 2017
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5EKK
 | | Crystal structure of Staphylococcal nuclease variant Delta+PHS V39D/L125E at cryogenic temperature | | Descriptor: | CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease | | Authors: | Skerritt, L.A, Bell-Upp, P.C, Siegler, M.A, Schlessman, J.L, Garcia-Moreno E, B. | | Deposit date: | 2015-11-03 | | Release date: | 2015-11-18 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structure of Staphylococcal nuclease variant Delta+PHS V39D/L125E at cryogenic temperature
To be Published
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5IGB
 | | Crystal structure of Staphylococcal nuclease variant Delta+PHS L36D/V66H at cryogenic temperature | | Descriptor: | CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease | | Authors: | Robinson, A.C, Theodoru, A, Schlessman, J.L, Garcia-Moreno E, B. | | Deposit date: | 2016-02-27 | | Release date: | 2016-03-09 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of Staphylococcal nuclease variant Delta+PHS L36D/V66H at cryogenic temperature
To be Published
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5IGD
 | | Crystal structure of Staphylococcal nuclease variant Delta+PHS T62H/I92E at cryogenic temperature | | Descriptor: | CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease | | Authors: | Robinson, A.C, Theodoru, A, Schlessman, J.L, Garcia-Moreno E, B. | | Deposit date: | 2016-02-27 | | Release date: | 2016-03-09 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of Staphylococcal nuclease variant Delta+PHS T62H/I92E at cryogenic temperature
To be Published
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6REN
 | | Crystal structure of 3fPizza6-SH with Zn2+ | | Descriptor: | 3fPizza6-SH, GLYCEROL, ISOPROPYL ALCOHOL, ... | | Authors: | Noguchi, H, Clarke, D.E, Gryspeerdt, J.L, Feyter, S.D, Voet, A.R.D. | | Deposit date: | 2019-04-12 | | Release date: | 2019-07-31 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Artificial beta-propeller protein-based hydrolases.
Chem.Commun.(Camb.), 55, 2019
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8IMA
 | | Filament structure of GAC with phosphate | | Descriptor: | Glutaminase kidney isoform, mitochondrial, PHOSPHATE ION | | Authors: | Guo, C.J, Liu, J.L. | | Deposit date: | 2023-03-06 | | Release date: | 2024-04-10 | | Last modified: | 2024-04-17 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Structural basis for activation and filamentation of glutaminase.
Cell Res., 34, 2024
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8IMB
 | | Filament interface structure of GAC with phosphate | | Descriptor: | Glutaminase kidney isoform, mitochondrial, PHOSPHATE ION | | Authors: | Guo, C.J, Liu, J.L. | | Deposit date: | 2023-03-06 | | Release date: | 2024-04-10 | | Last modified: | 2024-04-17 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Structural basis for activation and filamentation of glutaminase.
Cell Res., 34, 2024
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5IAG
 | | Caspase 3 V266Q | | Descriptor: | ACE-ASP-GLU-VAL-ASK, ASP-ASP-ASP-MET, Caspase-3 | | Authors: | Maciag, J.J, Mackenzie, S.H, Tucker, M.B, Schipper, J.L, Swartz, P.D, Clark, A.C. | | Deposit date: | 2016-02-21 | | Release date: | 2016-10-26 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Tunable allosteric library of caspase-3 identifies coupling between conserved water molecules and conformational selection.
Proc.Natl.Acad.Sci.USA, 113, 2016
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6REH
 | | Crystal structure of Pizza6-S with Cu2+ | | Descriptor: | COPPER (II) ION, GLYCEROL, Pizza6-S, ... | | Authors: | Noguchi, H, Clarke, D.E, Gryspeerdt, J.L, Feyter, S.D, Voet, A.R.D. | | Deposit date: | 2019-04-12 | | Release date: | 2019-07-31 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Artificial beta-propeller protein-based hydrolases.
Chem.Commun.(Camb.), 55, 2019
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6REJ
 | | Crystal structure of Pizza6-SH with Zn2+ | | Descriptor: | Pizza6-SH, SULFATE ION, ZINC ION | | Authors: | Noguchi, H, Clarke, D.E, Gryspeerdt, J.L, Feyter, S.D, Voet, A.R.D. | | Deposit date: | 2019-04-12 | | Release date: | 2019-07-31 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Artificial beta-propeller protein-based hydrolases.
Chem.Commun.(Camb.), 55, 2019
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6REO
 | | Crystal structure of 3fPizza6-SH with Sulphate ion | | Descriptor: | 3fPizza6-SH, SULFATE ION | | Authors: | Noguchi, H, Clarke, D.E, Gryspeerdt, J.L, Feyter, S.D, Voet, A.R.D. | | Deposit date: | 2019-04-12 | | Release date: | 2020-11-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Artificial beta-Propeller Protein-based Hydrolases
To Be Published
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2YKD
 | | Structure of the matrix protein from human respiratory syncytial virus | | Descriptor: | ACETATE ION, MATRIX PROTEIN | | Authors: | McPhee, H.K, Carlisle, J.L, Beeby, A, Money, V.A, Watson, S.M.D, Yeo, R.P, Sanderson, J.M. | | Deposit date: | 2011-05-26 | | Release date: | 2011-06-08 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Influence of Lipids on the Interfacial Disposition of Respiratory Syncytical Virus Matrix Protein.
Langmuir, 27, 2011
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5IED
 | | Murine endoplasmic reticulum alpha-glucosidase II with castanospermine | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Caputo, A.T, Roversi, P, Alonzi, D.S, Kiappes, J.L, Zitzmann, N. | | Deposit date: | 2016-02-25 | | Release date: | 2016-07-27 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Structures of mammalian ER alpha-glucosidase II capture the binding modes of broad-spectrum iminosugar antivirals.
Proc.Natl.Acad.Sci.USA, 113, 2016
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8J0E
 | | GK monomer complexes with catalytic intermediate | | Descriptor: | (2~{R})-5-[[[[(2~{R},3~{S},4~{S},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-2-azanyl-5-oxidanylidene-pentanoic acid, Delta-1-pyrroline-5-carboxylate synthase B, MAGNESIUM ION | | Authors: | Zhang, T, Guo, C.J, Liu, J.L. | | Deposit date: | 2023-04-10 | | Release date: | 2024-04-17 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | GK monomer complexes with catalytic intermediate
To Be Published
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2YIW
 | | triazolopyridine inhibitors of p38 kinase | | Descriptor: | 1-(3-tert-butyl-1-phenyl-1H-pyrazol-5-yl)-3-(2-{[3-(1-methylethyl)[1,2,4]triazolo[4,3-a]pyridin-6-yl]sulfanyl}benzyl)urea, 2-fluoro-4-[4-(4-fluorophenyl)-1H-pyrazol-3-yl]pyridine, MITOGEN-ACTIVATED PROTEIN KINASE 14 | | Authors: | Millan, D.S, Anderson, M, Bunnage, M.E, Burrows, J.L, Butcher, K.J, Dodd, P.G, Evans, T.J, Fairman, D.A, Hughes, S.J, Irving, S.L, Kilty, I.C, Lemaitre, A, Lewthwaite, R.A, Mahnke, A, Mathais, J.P, Philip, J, Phillips, C, Smith, R.T, Stefamiak, M.H, Yeadon, M. | | Deposit date: | 2011-05-17 | | Release date: | 2011-11-30 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Design and Synthesis of Inhaled P38 Inhibitors for the Treatment of Chronic Obstructive Pulmonary Disease.
J.Med.Chem., 54, 2011
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5IDR
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5IGE
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5VSO
 | | NMR structure of Ydj1 J-domain, a cytosolic Hsp40 from Saccharomyces cerevisiae | | Descriptor: | Yeast dnaJ protein 1 | | Authors: | Ciesielski, S.J, Tonelli, M, Lee, W, Cornilescu, G, Markley, J.L, Schilke, B.A, Ziegelhoffer, T, Craig, E.A. | | Deposit date: | 2017-05-12 | | Release date: | 2017-11-01 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Broadening the functionality of a J-protein/Hsp70 molecular chaperone system.
PLoS Genet., 13, 2017
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2Y8C
 | | Plasmodium falciparum dUTPase in complex with a trityl ligand | | Descriptor: | (2S)-2-[(2,4-dioxopyrimidin-1-yl)methyl]-N-(2-hydroxyethyl)-4-trityloxy-butanamide, DEOXYURIDINE 5'-TRIPHOSPHATE NUCLEOTIDOHYDROLASE, SULFATE ION | | Authors: | Baragana, B, McCarthy, O, Sanchez, P, Bosch, C, Kaiser, M, Brun, R, Whittingham, J.L, Roberts, S, Zhou, X.-X, Wilson, K.S, Johansson, N.G, Gonzalez-Pacanowska, D, Gilbert, I.H. | | Deposit date: | 2011-02-04 | | Release date: | 2012-03-07 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Beta-Branched Acyclic Nucleoside Analogues as Inhibitors of Plasmodium Falciparum Dutpase
Bioorg.Med.Chem., 19, 2011
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5W7P
 | | Crystal structure of OxaC | | Descriptor: | OxaC, S-ADENOSYLMETHIONINE | | Authors: | Newmister, S.A, Romminger, S, Schmidt, J.J, Williams, R.M, Smith, J.L, Berlinck, R.G.S, Sherman, D.H. | | Deposit date: | 2017-06-20 | | Release date: | 2018-06-27 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Unveiling sequential late-stage methyltransferase reactions in the meleagrin/oxaline biosynthetic pathway.
Org. Biomol. Chem., 16, 2018
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2G1Z
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5IOR
 | | Flavin-dependent thymidylate synthase in complex with FAD and 2'-deoxyuridine-5'-monosulfate | | Descriptor: | 2'-deoxy-5'-O-sulfouridine, FLAVIN-ADENINE DINUCLEOTIDE, RIBOFLAVIN, ... | | Authors: | Bernard, S.M, Stull, F.W, Smith, J.L. | | Deposit date: | 2016-03-08 | | Release date: | 2016-06-08 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Deprotonations in the Reaction of Flavin-Dependent Thymidylate Synthase.
Biochemistry, 55, 2016
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5WGT
 | | Crystal Structure of MalA' H253A, premalbrancheamide complex | | Descriptor: | (5aS,12aS,13aS)-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1H,5H,6H-5a,13a-(epiminomethano)indolizino[7,6-b]carbazol-14-one, CADMIUM ION, CHLORIDE ION, ... | | Authors: | Fraley, A.E, Smith, J.L. | | Deposit date: | 2017-07-14 | | Release date: | 2017-08-16 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.093 Å) | | Cite: | Function and Structure of MalA/MalA', Iterative Halogenases for Late-Stage C-H Functionalization of Indole Alkaloids.
J. Am. Chem. Soc., 139, 2017
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5WHR
 | | Discovery of a novel and selective IDO-1 inhibitor PF-06840003 and its characterization as a potential clinical candidate. | | Descriptor: | (3R)-3-(5-fluoro-1H-indol-3-yl)pyrrolidine-2,5-dione, Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Greasley, S.E, Kaiser, S.E, Feng, J.L, Stewart, A. | | Deposit date: | 2017-07-18 | | Release date: | 2017-12-27 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Discovery of a Novel and Selective Indoleamine 2,3-Dioxygenase (IDO-1) Inhibitor 3-(5-Fluoro-1H-indol-3-yl)pyrrolidine-2,5-dione (EOS200271/PF-06840003) and Its Characterization as a Potential Clinical Candidate.
J. Med. Chem., 60, 2017
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2G8N
 | | Structure of hPNMT with inhibitor 3-Hydroxymethyl-7-(N-4-chlorophenylaminosulfonyl)-THIQ and AdoHcy | | Descriptor: | (3R)-N-(4-CHLOROPHENYL)-3-(HYDROXYMETHYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-7-SULFONAMIDE, Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | | Authors: | Drinkwater, N, Gee, C.L, Martin, J.L. | | Deposit date: | 2006-03-02 | | Release date: | 2006-09-12 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Comparison of the Binding of 3-Fluoromethyl-7-sulfonyl-1,2,3,4-tetrahydroisoquinolines with Their Isosteric Sulfonamides to the Active Site of Phenylethanolamine N-Methyltransferase
J.Med.Chem., 49, 2006
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