6O6L
| The Structure of EgtB(Cabther) in complex with Hercynine | Descriptor: | EgtB (Cabther), FE (III) ION, N,N,N-trimethyl-histidine | Authors: | Irani, S, Zhang, Y. | Deposit date: | 2019-03-07 | Release date: | 2019-07-31 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Crystal Structure of the Ergothioneine Sulfoxide Synthase fromCandidatus Chloracidobacterium thermophilumand Structure-Guided Engineering To Modulate Its Substrate Selectivity. Acs Catalysis, 9, 2019
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6O6M
| The Structure of EgtB (Cabther) | Descriptor: | EgtB (Cabther), FE (III) ION, GLYCEROL | Authors: | Irani, S, Zhang, Y. | Deposit date: | 2019-03-07 | Release date: | 2019-07-31 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.506 Å) | Cite: | Crystal Structure of the Ergothioneine Sulfoxide Synthase fromCandidatus Chloracidobacterium thermophilumand Structure-Guided Engineering To Modulate Its Substrate Selectivity. Acs Catalysis, 9, 2019
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2FVV
| Human Diphosphoinositol polyphosphate phosphohydrolase 1 | Descriptor: | CHLORIDE ION, Diphosphoinositol polyphosphate phosphohydrolase 1, INOSITOL HEXAKISPHOSPHATE, ... | Authors: | Hallberg, B.M, Kursula, P, Ogg, D, Arrowsmith, C, Berglund, H, Edwards, A, Ehn, M, Flodin, S, Graslund, S, Hammarstrom, M, Hogbom, M, Holmberg-Schiavone, L, Kotenyova, T, Nilsson-Ehle, P, Nordlund, P, Nyman, T, Sagemark, J, Stenmark, P, Sundstrom, M, Thorsell, A.G, van den Berg, S, Weigelt, J, Persson, C, Structural Genomics Consortium (SGC) | Deposit date: | 2006-01-31 | Release date: | 2006-03-11 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Crystal structure of human diphosphoinositol phosphatase 1 Proteins, 77, 2009
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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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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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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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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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1IHP
| STRUCTURE OF PHOSPHOMONOESTERASE | Descriptor: | PHYTASE, SULFATE ION | Authors: | Kostrewa, D. | Deposit date: | 1997-02-04 | Release date: | 1998-03-18 | Last modified: | 2018-04-04 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of phytase from Aspergillus ficuum at 2.5 A resolution. Nat.Struct.Biol., 4, 1997
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3GZD
| Human selenocysteine lyase, P1 crystal form | Descriptor: | (5-HYDROXY-4,6-DIMETHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE, NITRATE ION, Selenocysteine lyase | Authors: | Karlberg, T, Hogbom, M, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Kotenyova, T, Moche, M, Nordlund, P, Nyman, T, Persson, C, Sagemark, J, Schutz, P, Siponen, M.I, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Weigelt, J, Welin, M, Wisniewska, M, Schuler, H, Structural Genomics Consortium (SGC) | Deposit date: | 2009-04-07 | Release date: | 2009-04-28 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Biochemical discrimination between selenium and sulfur 1: a single residue provides selenium specificity to human selenocysteine lyase. Plos One, 7, 2012
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6NK1
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1A65
| TYPE-2 CU-DEPLETED LACCASE FROM COPRINUS CINEREUS | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, COPPER (II) ION, LACCASE, ... | Authors: | Ducros, V, Brzozowski, W. | Deposit date: | 1998-03-05 | Release date: | 1999-03-30 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | Crystal structure of the type-2 Cu depleted laccase from Coprinus cinereus at 2.2 A resolution. Nat.Struct.Biol., 5, 1998
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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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5JGK
| Crystal structure of GtmA in complex with SAH | Descriptor: | S-ADENOSYL-L-HOMOCYSTEINE, SULFATE ION, UbiE/COQ5 family methyltransferase, ... | Authors: | Dolan, S.K, Bock, T, Hering, V, Jones, G.W, Blankenfeldt, W, Dolye, S. | Deposit date: | 2016-04-20 | Release date: | 2017-03-01 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.33 Å) | Cite: | Structural, mechanistic and functional insight into gliotoxinbis-thiomethylation inAspergillus fumigatus. Open Biol, 7, 2017
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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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8CMX
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8PAS
| Crystal structure of MAP4K1 with a SMOL inhibitor | Descriptor: | 4-[2,6-bis(fluoranyl)-4-(3-morpholin-4-ylpropylcarbamoylamino)phenoxy]-~{N}-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1~{H}-pyrrolo[2,3-b]pyridine-3-carboxamide, Mitogen-activated protein kinase kinase kinase kinase 1 | Authors: | Friberg, A. | Deposit date: | 2023-06-08 | Release date: | 2024-06-26 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Identification and optimization of Azaindole based MAP4K1 Inhibitors and the discovery of BAY-405 To Be Published
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6ODG
| SVQIVY, Crystal Structure of a tau protein fragment | Descriptor: | Microtubule-associated protein tau | Authors: | Eisenberg, D.S, Boyer, D.R, Sawaya, M.R, Seidler, P.M. | Deposit date: | 2019-03-26 | Release date: | 2019-10-02 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Structure-based inhibitors halt prion-like seeding by Alzheimer's disease-and tauopathy-derived brain tissue samples. J.Biol.Chem., 294, 2019
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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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2YMT
| gamma 2 adaptin EAR domain crystal structure with phage peptide GEEWGPWV | Descriptor: | 1,3-PROPANDIOL, AP-1 COMPLEX SUBUNIT GAMMA-LIKE 2, PHAGE DISPLAY DERIVED GAMMA 2 ADAPTIN EAR DOMAIN BINDING PEPTIDE | Authors: | Juergens, M.C, Voros, J, Rautureau, G, Shepherd, D, Pye, V.E, Muldoon, J, Johnson, C.M, Ashcroft, A, Freund, S.M.V, Ferguson, N. | Deposit date: | 2012-10-10 | Release date: | 2013-07-10 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.802 Å) | Cite: | The Hepatitis B Virus Pres1 Domain Hijacks Host Trafficking Proteins by Motif Mimicry. Nat.Chem.Biol., 9, 2013
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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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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: | 2023-11-01 | 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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6ARR
| Aspergillus fumigatus Cytosolic Thiolase: Apo enzyme in complex with cesium ions | Descriptor: | Acetyl-CoA acetyltransferase, CESIUM ION, CHLORIDE ION, ... | Authors: | Marshall, A.C, Bond, C.S, Bruning, J.B. | Deposit date: | 2017-08-23 | Release date: | 2018-05-30 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.822 Å) | Cite: | Structure of Aspergillus fumigatus Cytosolic Thiolase: Trapped Tetrahedral Reaction Intermediates and Activation by Monovalent Cations Acs Catalysis, 8(3), 2018
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3GFP
| Structure of the C-terminal domain of the DEAD-box protein Dbp5 | Descriptor: | DEAD box protein 5 | Authors: | Erzberger, J.P, Dossani, Z.Y, Weirich, C.S, Weis, K, Berger, J.M. | Deposit date: | 2009-02-27 | Release date: | 2009-09-01 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure of the C-terminus of the mRNA export factor Dbp5 reveals the interaction surface for the ATPase activator Gle1 Proc.Natl.Acad.Sci.USA, 106, 2009
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6ARG
| Aspergillus fumigatus Cytosolic Thiolase: Apo enzyme in complex with rubidium ions | Descriptor: | Acetyl-CoA acetyltransferase, CHLORIDE ION, GLYCEROL, ... | Authors: | Marshall, A.C, Bond, C.S, Bruning, J.B. | Deposit date: | 2017-08-22 | Release date: | 2018-05-30 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.782 Å) | Cite: | Structure of Aspergillus fumigatus Cytosolic Thiolase: Trapped Tetrahedral Reaction Intermediates and Activation by Monovalent Cations Acs Catalysis, 8(3), 2018
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