4AOF
 
 | | Selective small molecule inhibitor discovered by chemoproteomic assay platform reveals regulation of Th17 cell differentiation by PI3Kgamma | | Descriptor: | N-[6-(5-methylsulfonylpyridin-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethanamide, PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT GAMMA ISOFORM | | Authors: | Bergamini, G, Bell, K, Shimamura, S, Werner, T, Cansfield, A, Muller, K, Perrin, J, Rau, C, Ellard, K, Hopf, C, Doce, C, Leggate, D, Mangano, R, Mathieson, T, OMahony, A, Plavec, I, Rharbaoui, F, Reinhard, F, Savitski, M.M, Ramsden, N, Hirsch, E, Drewes, G, Rausch, O, Bantscheff, M, Neubauer, G. | | Deposit date: | 2012-03-26 | | Release date: | 2012-05-09 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | A Selective Inhibitor Reveals Pi3Kgamma Dependence of T(H)17 Cell Differentiation.
Nat.Chem.Biol., 8, 2012
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3IIE
 | | 1-deoxy-D-xylulose 5-phosphate reductoisomerase from Yersinia pestis. | | Descriptor: | 1,2-ETHANEDIOL, 1-deoxy-D-xylulose 5-phosphate reductoisomerase, MAGNESIUM ION | | Authors: | Osipiuk, J, Mulligan, R, Stam, J, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2009-07-31 | | Release date: | 2009-08-11 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | X-ray crystal structure of 1-deoxy-D-xylulose 5-phosphate reductoisomerase from Yersinia pestis.
To be Published
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3LHQ
 | | DNA-binding transcriptional repressor AcrR from Salmonella typhimurium. | | Descriptor: | 1,2-ETHANEDIOL, AcrAB operon repressor (TetR/AcrR family), DI(HYDROXYETHYL)ETHER | | Authors: | Osipiuk, J, Mulligan, R, Papazisi, L, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2010-01-22 | | Release date: | 2010-02-02 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | X-ray crystal structure of DNA-binding transcriptional repressor AcrR from Salmonella typhimurium.
To be Published
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3LQN
 | | Crystal Structure of CBS Domain-containing Protein of Unknown Function from Bacillus anthracis str. Ames Ancestor | | Descriptor: | CBS domain protein, FORMIC ACID, GLYCEROL, ... | | Authors: | Kim, Y, Mulligan, R, Hasseman, J, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2010-02-09 | | Release date: | 2010-03-02 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal Structure of CBS Domain-containing Protein of Unknown Function from Bacillus anthracis str. Ames Ancestor
To be Published
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6DFU
 | | Tryptophan--tRNA ligase from Haemophilus influenzae. | | Descriptor: | TRYPTOPHAN, Tryptophan--tRNA ligase | | Authors: | Osipiuk, J, Maltseva, N, Mulligan, R, Grimshaw, S, Satchell, K.J.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2018-05-15 | | Release date: | 2018-05-23 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Tryptophan--tRNA ligase from Haemophilus influenzae.
to be published
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2F7Y
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3L07
 | | Methylenetetrahydrofolate dehydrogenase/methenyltetrahydrofolate cyclohydrolase, putative bifunctional protein folD from Francisella tularensis. | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Bifunctional protein folD, ... | | Authors: | Osipiuk, J, Maltseva, N, Mulligan, R, Hasseman, J, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2009-12-09 | | Release date: | 2009-12-22 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | X-ray crystal structure of methylenetetrahydrofolate dehydrogenase/methenyltetrahydrofolate cyclohydrolase, putative bifunctional protein folD from Francisella tularensis.
To be Published
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2GAU
 | | Crystal structure of transcriptional regulator, Crp/Fnr family from Porphyromonas gingivalis (APC80792), Structural genomics, MCSG | | Descriptor: | transcriptional regulator, Crp/Fnr family | | Authors: | Rotella, F.J, Zhang, R.G, Mulligan, R, Moy, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2006-03-09 | | Release date: | 2006-04-11 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The 1.9-A crystal structure of transcriptional regulator, Crp/Fnr family from Porphyromonas gingivalis
To be Published
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2FB6
 | | Structure of Conserved Protein of Unknown Function BT1422 from Bacteroides thetaiotaomicron | | Descriptor: | conserved hypothetical protein | | Authors: | Osipiuk, J, Mulligan, R, Abdullah, J, Collart, F, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2005-12-08 | | Release date: | 2006-01-24 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.46 Å) | | Cite: | X-ray crystal structure of conserved hypothetical protein BT1422 from Bacteroides thetaiotaomicron
To be Published
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2F7W
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2GTQ
 | | Crystal structure of aminopeptidase N from human pathogen Neisseria meningitidis | | Descriptor: | SULFATE ION, ZINC ION, aminopeptidase N | | Authors: | Nocek, B, Mulligan, R, Bargassa, M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2006-04-28 | | Release date: | 2006-05-30 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Crystal structure of aminopeptidase N from human pathogen Neisseria meningitidis.
Proteins, 70, 2007
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1YMZ
 | | CC45, An Artificial WW Domain Designed Using Statistical Coupling Analysis | | Descriptor: | CC45 | | Authors: | Socolich, M, Lockless, S.W, Russ, W.P, Lee, H, Gardner, K.H, Ranganathan, R. | | Deposit date: | 2005-01-22 | | Release date: | 2005-09-27 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Evolutionary information for specifying a protein fold.
Nature, 437, 2005
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2AU5
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2IAF
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8FWA
 | | Phycocyanin structure from a modular droplet injector for serial femtosecond crystallography | | Descriptor: | C-phycocyanin alpha chain, C-phycocyanin beta chain, PHYCOCYANOBILIN, ... | | Authors: | Botha, S, Doppler, D.L, Sonker, M, Egatz-Gomez, A, Grieco, A, Zaare, S, Jernigan, R, Meza-Aguilar, J.D, Rabbani, M.T, Manna, A, Alvarez, R, Karpos, K, Cruz Villarreal, J, Nelson, G, Ketawala, G.K, Pey, A.L, Ruiz-Fresneda, M.A, Pacheco-Garcia, J.L, Nazari, R, Sierra, R, Hunter, M.S, Batyuk, A, Kupitz, C.J, Sublett, R.E, Lisova, S, Mariani, V, Boutet, S, Fromme, R, Grant, T.D, Fromme, P, Kirian, R.A, Martin-Garcia, J.M, Ros, A. | | Deposit date: | 2023-01-20 | | Release date: | 2023-06-28 | | Last modified: | 2023-07-12 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Modular droplet injector for sample conservation providing new structural insight for the conformational heterogeneity in the disease-associated NQO1 enzyme.
Lab Chip, 23, 2023
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2JRE
 | | C60-1, a PDZ domain designed using statistical coupling analysis | | Descriptor: | C60-1 PDZ domain peptide | | Authors: | Larson, C, Stiffler, M, Li, P, Rosen, M, MacBeath, G, Ranganathan, R. | | Deposit date: | 2007-06-25 | | Release date: | 2008-07-01 | | Last modified: | 2023-12-20 | | Method: | SOLUTION NMR | | Cite: | C60-1, a PDZ domain designed using statistical coupling analysis
To be Published
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5E21
 | | PDZ2 of LNX2 at 277K,single conformer model | | Descriptor: | Ligand of Numb protein X 2 | | Authors: | Hekstra, D.R, White, K.I, Socolich, M.A, Ranganathan, R. | | Deposit date: | 2015-09-30 | | Release date: | 2016-12-07 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.011 Å) | | Cite: | Electric-field-stimulated protein mechanics.
Nature, 540, 2016
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5E11
 | | Second PDZ domain of Ligand of Numb protein X 2 by Laue crystallography (no electric field) | | Descriptor: | Ligand of Numb protein X 2 | | Authors: | Hekstra, D.R, White, K.I, Socolich, M.A, Henning, R.W, Srajer, V, Ranganathan, R. | | Deposit date: | 2015-09-29 | | Release date: | 2016-12-07 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Electric-field-stimulated protein mechanics.
Nature, 540, 2016
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5E22
 | | The second PDZ domain of Ligand of Numb protein X 2 in the presence of an electric field of ~1 MV/cm along the crystallographic x axis, with eightfold extrapolation of structure factor differences. | | Descriptor: | GLYCEROL, Ligand of Numb protein X 2 | | Authors: | Hekstra, D.R, White, K.I, Socolich, M.A, Henning, R.W, Srajer, V, Ranganathan, R. | | Deposit date: | 2015-09-30 | | Release date: | 2016-12-07 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.797 Å) | | Cite: | Electric-field-stimulated protein mechanics.
Nature, 540, 2016
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7M6C
 | | Crystal structure of PLA2 from snake venom of peruvian Bothrops atrox | | Descriptor: | Basic phospholipase A2, LAURIC ACID | | Authors: | Leonardo, D.A, Chojnowski, G, Simpkin, A, Seifert-Davila, W, Vivas-Ruiz, D.E, Keegan, R, Rigden, D. | | Deposit date: | 2021-03-25 | | Release date: | 2022-01-12 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | findMySequence: a neural-network-based approach for identification of unknown proteins in X-ray crystallography and cryo-EM
Iucrj, 9, 2022
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5E1Y
 | | PDZ2 of LNX2 at 277K, model with alternate conformations | | Descriptor: | Ligand of Numb protein X 2 | | Authors: | Hekstra, D.R, White, K.I, Socolich, M.A, Ranganathan, R. | | Deposit date: | 2015-09-30 | | Release date: | 2016-12-07 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.011 Å) | | Cite: | Electric-field-stimulated protein mechanics.
Nature, 540, 2016
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2NRK
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5F4C
 | | Crystal Structure of Ribonuclease Inhibitor Barstar from Salmonella Typhimurium | | Descriptor: | MALONATE ION, Putative cytoplasmic protein | | Authors: | Maltseva, N, Kim, Y, Mulligan, R, Stam, J, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2015-12-03 | | Release date: | 2015-12-23 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Crystal Structure of Ribonuclease Inhibitor Barstar from Salmonella Typhimurium.
To Be Published
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2QSA
 | | Crystal structure of J-domain of DnaJ homolog dnj-2 precursor from C.elegans. | | Descriptor: | CHLORIDE ION, DnaJ homolog dnj-2 | | Authors: | Osipiuk, J, Mulligan, R, Gu, M, Voisine, C, Morimoto, R.I, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2007-07-30 | | Release date: | 2007-08-14 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | X-ray crystal structure of J-domain of DnaJ homolog dnj-2 precursor from C.elegans.
To be Published
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5DUL
 | | 1-deoxy-D-xylulose 5-phosphate reductoisomerase from Yersinia pestis in complex with NADPH | | Descriptor: | 1-deoxy-D-xylulose 5-phosphate reductoisomerase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Osipiuk, J, Mulligan, R, Stam, J, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2015-09-18 | | Release date: | 2015-09-30 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | 1-deoxy-D-xylulose 5-phosphate reductoisomerase from Yersinia pestis in complex with NADPH .
to be published
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