4ORS
 
 | | Three-dimensional structure of the C65A mutant of Human lipocalin-type Prostaglandin D Synthase apo-form | | Descriptor: | Prostaglandin-H2 D-isomerase, SULFATE ION | | Authors: | Perduca, M, Bovi, M, Bertinelli, M, Bertini, E, Destefanis, L, Carrizo, M.E, Capaldi, S, Monaco, H.L. | | Deposit date: | 2014-02-12 | | Release date: | 2014-08-06 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | High-resolution structures of mutants of residues that affect access to the ligand-binding cavity of human lipocalin-type prostaglandin D synthase.
Acta Crystallogr.,Sect.D, 70, 2014
|
|
5XOC
 | | Crystal structure of human Smad3-FoxH1 complex | | Descriptor: | Mothers against decapentaplegic homolog 3, Thioredoxin 1,Forkhead box protein H1 | | Authors: | Miyazono, K, Ito, T, Tanokura, M. | | Deposit date: | 2017-05-27 | | Release date: | 2018-03-28 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Hydrophobic patches on SMAD2 and SMAD3 determine selective binding to cofactors
Sci Signal, 11, 2018
|
|
6PRX
 | | oxidized Human Branched Chain Aminotransferase mutant C318A | | Descriptor: | Branched-chain-amino-acid aminotransferase, mitochondrial, PYRIDOXAL-5'-PHOSPHATE | | Authors: | Dong, M, Herbert, D, Gibbs, S. | | Deposit date: | 2019-07-11 | | Release date: | 2020-01-22 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (3.25 Å) | | Cite: | Crystal structure of an oxidized mutant of human mitochondrial branched-chain aminotransferase.
Acta Crystallogr.,Sect.F, 76, 2020
|
|
5FI4
 | | Discovery of imidazo[1,2-a]-pyridine inhibitors of pan-PI3 kinases that are efficacious in a mouse xenograft model | | Descriptor: | GLYCEROL, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, ... | | Authors: | Elling, R.A, Knapp, M.S, Han, W, Daniel, L.M, Xy, Y, Burger, M.T, Ni, Z, Smith, A, Lan, J, Williams, T, Verhagen, J, Huh, K, Merritt, H, Chan, J, Kaufman, S, Voliva, C.F, Pecchi, S. | | Deposit date: | 2015-12-22 | | Release date: | 2016-02-03 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Discovery of imidazo[1,2-a]-pyridine inhibitors of pan-PI3 kinases that are efficacious in a mouse xenograft model.
Bioorg.Med.Chem.Lett., 26, 2016
|
|
5FUH
 | | Pseudomonas aeruginosa RmlA in complex with allosteric inhibitor | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFERASE, ... | | Authors: | Alphey, M.S, Tran, F, Westwood, N.J, Naismith, J.H. | | Deposit date: | 2016-01-27 | | Release date: | 2017-02-22 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Allosteric Competitive Inhibitors of the Glucose-1-Phosphate Thymidylyltransferase (Rmla) from Pseudomonas Aeruginosa.
To be Published
|
|
8RAK
 | |
3CP5
 | | Cytochrome c from rhodothermus marinus | | Descriptor: | Cytochrome c, HEME C, SULFATE ION | | Authors: | Stelter, M, Melo, A, Saraiva, L, Teixeira, M, Archer, M. | | Deposit date: | 2008-03-31 | | Release date: | 2008-10-28 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.24 Å) | | Cite: | A novel type of monoheme cytochrome c: biochemical and structural characterization at 1.23 A resolution of rhodothermus marinus cytochrome c
Biochemistry, 47, 2008
|
|
8QUS
 | |
8R17
 | | Crystal structure of Neurospora crassa NADase with modified C-terminus | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Conidial surface nicotinamide adenine dinucleotide glycohydrolase,Conidial surface nicotinamide adenine dinucleotide glycohydrolase nadA, ... | | Authors: | Kallio, J.P, Ferrario, E, Ziegler, M. | | Deposit date: | 2023-11-01 | | Release date: | 2024-07-03 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Evolution of fungal tuberculosis necrotizing toxin (TNT) domain-containing enzymes reveals divergent adaptations to enhance NAD cleavage.
Protein Sci., 33, 2024
|
|
5XW6
 | | Crystal structure of the chicken ATP-gated P2X7 receptor channel in the presence of competitive antagonist TNP-ATP at 3.1 Angstroms | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, P2X purinoceptor, SPIRO(2,4,6-TRINITROBENZENE[1,2A]-2O',3O'-METHYLENE-ADENINE-TRIPHOSPHATE | | Authors: | Kasuya, G, Hattori, M, Nureki, O. | | Deposit date: | 2017-06-29 | | Release date: | 2017-10-25 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structural insights into the competitive inhibition of the ATP-gated P2X receptor channel
Nat Commun, 8, 2017
|
|
8RIH
 | | Crystal structure of the Saccharomyces cerevisiae URH1p riboside hydrolase | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, Uridine ribohydrolase | | Authors: | Degano, M, Carriles, A.A. | | Deposit date: | 2023-12-18 | | Release date: | 2024-07-03 | | Last modified: | 2024-07-24 | | Method: | X-RAY DIFFRACTION (2.74 Å) | | Cite: | Structure-Function Insights into the Dual Role in Nucleobase and Nicotinamide Metabolism and a Possible Use in Cancer Gene Therapy of the URH1p Riboside Hydrolase.
Int J Mol Sci, 25, 2024
|
|
8QQI
 | |
8QU7
 | |
5XT2
 | | Crystal structures of full-length FixJ from B. japonicum crystallized in space group P212121 | | Descriptor: | FORMIC ACID, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Nishizono, Y, Hisano, T, Shiro, Y, Sawai, H, Wright, G.S.A, Saeki, A, Hikima, T, Nakamura, H, Yamamoto, M, Antonyuk, S.V, Hasnain, S.S. | | Deposit date: | 2017-06-16 | | Release date: | 2018-05-23 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.652 Å) | | Cite: | Architecture of the complete oxygen-sensing FixL-FixJ two-component signal transduction system.
Sci Signal, 11, 2018
|
|
5XWM
 | | human ERp44 zinc-bound form | | Descriptor: | CHLORIDE ION, Endoplasmic reticulum resident protein 44, ZINC ION | | Authors: | Watanabe, S, Harayama, M, Inaba, K. | | Deposit date: | 2017-06-30 | | Release date: | 2019-01-02 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Zinc regulates ERp44-dependent protein quality control in the early secretory pathway.
Nat Commun, 10, 2019
|
|
5FTV
 | | Pseudomonas aeruginosa RmlA in complex with allosteric inhibitor | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFERASE, ... | | Authors: | Alphey, M.S, Tran, F, Westwood, N.J, Naismith, J.H. | | Deposit date: | 2016-01-18 | | Release date: | 2017-02-22 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.213 Å) | | Cite: | Allosteric Competitive Inhibitors of the Glucose-1-Phosphate Thymidylyltransferase (Rmla) from Pseudomonas Aeruginosa.
To be Published
|
|
3CE2
 | | Crystal structure of putative peptidase from Chlamydophila abortus | | Descriptor: | Putative peptidase, ZINC ION | | Authors: | Ramagopal, U.A, Toro, R, Gilmore, M, Eberle, M, Maletic, M, Meyer, A.J, Rodgers, L, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2008-02-28 | | Release date: | 2008-03-18 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal structure of putative peptidase from Chlamydophila abortus.
To be Published
|
|
6YJC
 | | Crystal structure of p38alpha in complex with SR154 | | Descriptor: | 1,2-ETHANEDIOL, 5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-oxidanylidene-1-piperazin-1-yl-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide, Mitogen-activated protein kinase 14 | | Authors: | Joerger, A.C, Schroeder, M, Roehm, S, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2020-04-02 | | Release date: | 2020-07-15 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.74100935 Å) | | Cite: | Selective targeting of the alpha C and DFG-out pocket in p38 MAPK.
Eur.J.Med.Chem., 208, 2020
|
|
4TOT
 | |
8R7H
 | | Cryo-EM structure of Human SHMT1 | | Descriptor: | Serine hydroxymethyltransferase, cytosolic | | Authors: | Spizzichino, S, Marabelli, C, Bharadwaj, A, Jakobi, A.J, Chaves-Sanjuan, A, Giardina, G, Bolognesi, M, Cutruzzola, F. | | Deposit date: | 2023-11-24 | | Release date: | 2024-07-24 | | Last modified: | 2024-08-07 | | Method: | ELECTRON MICROSCOPY (3.29 Å) | | Cite: | Structure-based mechanism of riboregulation of the metabolic enzyme SHMT1.
Mol.Cell, 84, 2024
|
|
5XZF
 | | Vitamin D receptor with a synthetic ligand ADRO1 | | Descriptor: | (1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,6S)-6-(1-adamantyl)-6-oxidanyl-hex-4-yn-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol, FORMIC ACID, Mediator of RNA polymerase II transcription subunit 1, ... | | Authors: | Otero, R, Numoto, N, Ikura, T, Yamada, S, Mourino, A, Makishima, M, Ito, N. | | Deposit date: | 2017-07-12 | | Release date: | 2018-07-25 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | 25 S-Adamantyl-23-yne-26,27-dinor-1 alpha ,25-dihydroxyvitamin D3: Synthesis, Tissue Selective Biological Activities, and X-ray Crystal Structural Analysis of Its Vitamin D Receptor Complex.
J. Med. Chem., 61, 2018
|
|
5UHY
 | | A Human Antibody Against Zika Virus Crosslinks the E Protein to Prevent Infection | | Descriptor: | ZV67 Fab chain 1, ZV67 Fab chain 2, envelope protein | | Authors: | Hasan, S.S, Miller, A, Sapparapu, G, Fernandez, E, Klose, T, Long, F, Fokine, A, Porta, J.C, Jiang, W, Diamond, M.S, Crowe Jr, J.E, Kuhn, R.J, Rossmann, M.G. | | Deposit date: | 2017-01-12 | | Release date: | 2017-03-29 | | Last modified: | 2019-11-27 | | Method: | ELECTRON MICROSCOPY (6.2 Å) | | Cite: | A human antibody against Zika virus crosslinks the E protein to prevent infection.
Nat Commun, 8, 2017
|
|
5Y42
 | |
8RMJ
 | | Drosophila Semaphorin 2b in complex with glycosaminoglycan mimic SOS | | Descriptor: | 1,3,4,6-tetra-O-sulfo-beta-D-fructofuranose-(2-1)-2,3,4,6-tetra-O-sulfonato-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Nourisanami, F, Sobol, M, Rozbesky, D. | | Deposit date: | 2024-01-08 | | Release date: | 2024-07-31 | | Method: | X-RAY DIFFRACTION (2.79 Å) | | Cite: | Molecular mechanisms of proteoglycan-mediated semaphorin signaling in axon guidance.
Proc.Natl.Acad.Sci.USA, 121, 2024
|
|
6Y6V
 | | p38a bound with MCP-81 | | Descriptor: | 5-azanyl-~{N}-[[4-[[5-~{tert}-butyl-2-(4-methylphenyl)pyrazol-3-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide, Mitogen-activated protein kinase 14 | | Authors: | Schroeder, M, Roehm, S, Knapp, S, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Structural Genomics Consortium (SGC) | | Deposit date: | 2020-02-27 | | Release date: | 2020-03-11 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Selective targeting of the alpha C and DFG-out pocket in p38 MAPK.
Eur.J.Med.Chem., 208, 2020
|
|
