3L8W
 
 | | Urate oxidase from aspergillus flavus complexed with xanthin | | Descriptor: | SODIUM ION, Uricase, XANTHINE, ... | | Authors: | Prange, T, Gabison, L, Colloc'h, N, Chiadmi, M. | | Deposit date: | 2010-01-04 | | Release date: | 2010-06-02 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Near-atomic resolution structures of urate oxidase complexed with its substrate and analogues: the protonation state of the ligand.
Acta Crystallogr.,Sect.D, 66, 2010
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3CHE
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3CHC
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3CH9
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7BE4
 | | Crystal structure of MAP kinase p38 alpha in complex with inhibitor SR159 | | Descriptor: | 5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-[[(3~{R})-1-methylsulfonylpiperidin-3-yl]amino]-1-oxidanylidene-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: | 2020-12-22 | | Release date: | 2021-03-03 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Development of a Selective Dual Discoidin Domain Receptor (DDR)/p38 Kinase Chemical Probe.
J.Med.Chem., 64, 2021
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7BE5
 | | Crystal structure of MAP kinase p38 alpha in complex with inhibitor SR276 | | Descriptor: | 1,2-ETHANEDIOL, 5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-[[(3~{R})-1-methylsulfonylpiperidin-3-yl]amino]-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-methyl-pyrazole-4-carboxamide, Mitogen-activated protein kinase 14 | | Authors: | Joerger, A.C, Schroeder, M, Roehm, S, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2020-12-22 | | Release date: | 2021-03-03 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.8000524 Å) | | Cite: | Development of a Selective Dual Discoidin Domain Receptor (DDR)/p38 Kinase Chemical Probe.
J.Med.Chem., 64, 2021
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8FX9
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5KBR
 | | Pak1 in complex with 7-azaindole inhibitor | | Descriptor: | (4-chlorophenyl)-[5-(1-piperidin-4-ylpyrazol-4-yl)-1~{H}-pyrrolo[2,3-b]pyridin-3-yl]methanone, Serine/threonine-protein kinase PAK 1 | | Authors: | Ferguson, A. | | Deposit date: | 2016-06-03 | | Release date: | 2016-09-28 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.36 Å) | | Cite: | Optimization of Highly Kinase Selective Bis-anilino Pyrimidine PAK1 Inhibitors.
ACS Med Chem Lett, 7, 2016
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2IBN
 | | Crystal structure of Human myo-Inositol Oxygenase (MIOX) | | Descriptor: | (2S,3R,4R,5S,6S)-2,3,4,5,6-PENTAHYDROXYCYCLOHEXANONE, CYSTEINE, FE (III) ION, ... | | Authors: | Hallberg, B.M, Busam, R.D, Arrowsmith, C, Berglund, H, Collins, R, Edwards, A, Ehn, M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Hogbom, M, Holmberg-Schiavone, L, Johansson, I, Karlberg, T, Kotenyova, T, Nilsson-Ehle, P, Nordlund, P, Nyman, T, Ogg, D, Sagemark, J, Stenmark, P, Sundstrom, M, Uppenberg, J, Van Den Berg, S, Weigelt, J, Thorsell, A.G, Persson, C, Structural Genomics Consortium (SGC) | | Deposit date: | 2006-09-11 | | Release date: | 2006-10-17 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structural and Biophysical Characterization of Human myo-Inositol Oxygenase
J.Biol.Chem., 283, 2008
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5KBQ
 | | Pak1 in complex with bis-anilino pyrimidine inhibitor | | Descriptor: | Serine/threonine-protein kinase PAK 1, [4-methyl-3-[methyl-[2-[(3-methylsulfonyl-5-morpholin-4-yl-phenyl)amino]pyrimidin-4-yl]amino]phenyl]methanol | | Authors: | Ferguson, A. | | Deposit date: | 2016-06-03 | | Release date: | 2016-09-28 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.58 Å) | | Cite: | Optimization of Highly Kinase Selective Bis-anilino Pyrimidine PAK1 Inhibitors.
ACS Med Chem Lett, 7, 2016
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6N65
 | | KRAS G-quadruplex G16T mutant. | | Descriptor: | KRAS G-quadruplex G16T mutant, POTASSIUM ION | | Authors: | Schmidberger, J.W, Ou, A, Smith, N.M, Iyer, K.S, Bond, C.S. | | Deposit date: | 2018-11-25 | | Release date: | 2020-04-15 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | High resolution crystal structure of a KRAS promoter G-quadruplex reveals a dimer with extensive poly-A pi-stacking interactions for small-molecule recognition.
Nucleic Acids Res., 48, 2020
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2HE7
 | | FERM domain of EPB41L3 (DAL-1) | | Descriptor: | Band 4.1-like protein 3 | | Authors: | Hallberg, B.M, Busam, R.D, Arrowsmith, C, Berglund, H, Collins, R, Edwards, A, Ehn, M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Schiavone, L.H, Johansson, I, Hogbom, M, Karlberg, T, Kotenyova, T, Nilvebrandt, J, Norberg, P, Stenmark, P, Nordlund, P, Nilsson-ehle, P, Nyman, T, Ogg, D, Sagemark, J, Sundstrom, M, Uppenberg, J, Van den berg, S, Weigelt, J, Persson, C, Thorsell, A.G, Structural Genomics Consortium (SGC) | | Deposit date: | 2006-06-21 | | Release date: | 2006-07-04 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural basis of tumor suppressor in lung cancer 1 (TSLC1) binding to differentially expressed in adenocarcinoma of the lung (DAL-1/4.1B).
J.Biol.Chem., 286, 2011
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2QC8
 | | Crystal structure of human glutamine synthetase in complex with ADP and methionine sulfoximine phosphate | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, Glutamine synthetase, ... | | Authors: | Karlberg, T, Lehtio, L, Arrowsmith, C.H, Berglund, H, Busam, R.D, Collins, R, Dahlgren, L.G, Edwards, A, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Hogbom, M, Johansson, I, Kallas, A, Kotenyova, T, Moche, M, Nordlund, P, Nyman, T, Persson, C, Sagemark, J, Sundstrom, M, Thorsell, A.G, Van Den Berg, S, Weigelt, J, Holmberg-Schiavone, L, Structural Genomics Consortium (SGC) | | Deposit date: | 2007-06-19 | | Release date: | 2007-07-03 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal structures of mammalian glutamine synthetases illustrate substrate-induced conformational changes and provide opportunities for drug and herbicide design.
J.Mol.Biol., 375, 2008
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2OJW
 | | Crystal structure of human glutamine synthetase in complex with ADP and phosphate | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, GLYCEROL, ... | | Authors: | Karlberg, T, Uppenberg, J, Arrowsmith, C, Berglund, H, Busam, R.D, Collins, R, Edwards, A, Flodin, S, Flores, A, Graslund, S, Hallberg, B.M, Hammarstrom, M, Hogbom, M, Johansson, I, Kotenyova, T, Moche, M, Nilsson, M.E, Nordlund, P, Nyman, T, Ogg, D, Persson, C, Sagemark, J, Stenmark, P, Sundstrom, M, Thorsell, A.G, Van Den Berg, S, Wallden, K, Weigelt, J, Holmberg-Schiavone, L, Structural Genomics Consortium (SGC) | | Deposit date: | 2007-01-15 | | Release date: | 2007-03-13 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Crystal structures of mammalian glutamine synthetases illustrate substrate-induced conformational changes and provide opportunities for drug and herbicide design.
J.Mol.Biol., 375, 2008
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3CKU
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3CHF
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8Q5Y
 | | cryoEM structure of SARS-CoV2 Spike trimer in complex with Fab23 | | Descriptor: | Monoclonal antibody Mab 23 (Heavy Chain), Monoclonal antibody Mab 23 (Light chain), Spike glycoprotein | | Authors: | Hallberg, M, Das, H. | | Deposit date: | 2023-08-10 | | Release date: | 2024-07-17 | | Last modified: | 2024-08-07 | | Method: | ELECTRON MICROSCOPY (2.6 Å) | | Cite: | Multi-compartmental diversification of neutralizing antibody lineages dissected in SARS-CoV-2 spike-immunized macaques.
Nat Commun, 15, 2024
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5JGL
 | | Crystal structure of GtmA in complex with S-Adenosylmethionine | | Descriptor: | S-ADENOSYLMETHIONINE, SODIUM ION, UbiE/COQ5 family methyltransferase, ... | | Authors: | Dolan, S.K, Bock, T, Hering, V, Jones, G.W, Blankenfeldt, W, Doyle, S. | | Deposit date: | 2016-04-20 | | Release date: | 2017-03-01 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Structural, mechanistic and functional insight into gliotoxinbis-thiomethylation inAspergillus fumigatus.
Open Biol, 7, 2017
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7AW9
 | | CCAAT-binding complex and HapX bound to Aspergillus fumigatus cccA DNA | | Descriptor: | BZIP domain-containing protein, CBFD_NFYB_HMF domain-containing protein, CHLORIDE ION, ... | | Authors: | Huber, E.M, Groll, M. | | Deposit date: | 2020-11-06 | | Release date: | 2022-04-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Structural insights into cooperative DNA recognition by the CCAAT-binding complex and its bZIP transcription factor HapX.
Structure, 30, 2022
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7ECT
 | | Crystal Structure of Aspergillus terreus Glutamate Dehydrogenase (AtGDH) Complexed With Tartrate and NADPH | | Descriptor: | GLYCEROL, Glutamate dehydrogenase, L(+)-TARTARIC ACID, ... | | Authors: | Godsora, B.K.J, Prakash, P, Punekar, N.S, Bhaumik, P. | | Deposit date: | 2021-03-13 | | Release date: | 2021-12-08 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Molecular insights into the inhibition of glutamate dehydrogenase by the dicarboxylic acid metabolites.
Proteins, 90, 2022
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7ECR
 | | Crystal Structure of Aspergillus terreus Glutamate Dehydrogenase (AtGDH) Complexed With Succinate and ADP-ribose | | Descriptor: | GLYCEROL, Glutamate dehydrogenase, SUCCINIC ACID, ... | | Authors: | Godsora, B.K.J, Prakash, P, Punekar, N.S, Bhaumik, P. | | Deposit date: | 2021-03-13 | | Release date: | 2021-12-08 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Molecular insights into the inhibition of glutamate dehydrogenase by the dicarboxylic acid metabolites.
Proteins, 90, 2022
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7ECS
 | | Crystal Structure of Aspergillus terreus Glutamate Dehydrogenase (AtGDH) Complexed With Malonate and NADPH | | Descriptor: | GLYCEROL, Glutamate dehydrogenase, MALONATE ION, ... | | Authors: | Godsora, B.K.J, Prakash, P, Punekar, N.S, Bhaumik, P. | | Deposit date: | 2021-03-13 | | Release date: | 2021-12-08 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Molecular insights into the inhibition of glutamate dehydrogenase by the dicarboxylic acid metabolites.
Proteins, 90, 2022
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2H1M
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3I25
 | | Potent Beta-Secretase 1 hydroxyethylene Inhibitor | | Descriptor: | Beta-secretase 1, N-[(2S,3S,5R)-1-(3,5-difluorophenoxy)-3-hydroxy-5-(2-methoxyethoxy)-6-[[(2S)-3-methyl-1-oxo-1-(phenylmethylamino)butan-2-yl]amino]-6-oxo-hexan-2-yl]-5-(methyl-methylsulfonyl-amino)-N'-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide | | Authors: | Lindberg, J.D, Borkakoti, N, Nystrom, S. | | Deposit date: | 2009-06-29 | | Release date: | 2010-06-02 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Discovery of potent BACE-1 inhibitors containing a new hydroxyethylene (HE) scaffold: exploration of P1' alkoxy residues and an aminoethylene (AE) central core
Bioorg.Med.Chem., 18, 2010
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8B0R
 | | Structure of the CalpL/cA4 complex | | Descriptor: | Cyclic tetraadenosine monophosphate (cA4), SMODS-associated and fused to various effectors domain-containing protein, SULFATE ION, ... | | Authors: | Schneberger, N, Hagelueken, G. | | Deposit date: | 2022-09-08 | | Release date: | 2022-11-16 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Antiviral signalling by a cyclic nucleotide activated CRISPR protease.
Nature, 614, 2023
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