1Y67
 
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1LVY
 | | PORCINE ELASTASE | | Descriptor: | CALCIUM ION, ELASTASE, SULFATE ION | | Authors: | Schiltz, M, Prange, T. | | Deposit date: | 1996-07-20 | | Release date: | 1997-01-27 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | High-pressure krypton gas and statistical heavy-atom refinement: a successful combination of tools for macromolecular structure determination.
Acta Crystallogr.,Sect.D, 53, 1997
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4UHV
 | | The structure of VgrG1, the needle tip of the bacterial Type VI Secretion System | | Descriptor: | CHLORIDE ION, SODIUM ION, VGRG1, ... | | Authors: | Spinola-Amilibia, M, Davo-Siguero, I, Ruiz, F.M, Santillana, E, Medrano, F.J, Romero, A. | | Deposit date: | 2015-03-25 | | Release date: | 2016-01-27 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The Structure of Vgrg1 from Pseudomonas Aeruginosa, the Needle Tip of the Bacterial Type Vi Secretion System
Acta Crystallogr.,Sect.D, 72, 2016
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6JT4
 | | Crystal Structure of BACE1 in complex with N-{3-[(4S,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-4H-1,3-thiazin-4-yl]-4-fluorophenyl}-5-(fluoromethoxy)pyrazine-2-carboxamide | | Descriptor: | Beta-secretase 1, GLYCEROL, IODIDE ION, ... | | Authors: | Anan, K, Iso, Y, Oguma, T, Nakahara, K, Suzuki, S, Yamamoto, T, Matsuoka, E, Ito, H, Sakaguchi, G, Ando, S, Morimoto, K, Kanegawa, N, Kido, Y, Kawachi, T, Fukushima, T, Teisman, A, Urmaliya, V, Dhuyvetter, D, Borghys, H, Austin, N, Bergh, A.V.D, Verboven, P, Bischoff, F, Gijsen, H.J.M, Yamano, Y, Kusakabe, K.I. | | Deposit date: | 2019-04-08 | | Release date: | 2020-01-15 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Trifluoromethyl Dihydrothiazine-Based beta-Secretase (BACE1) Inhibitors with Robust Central beta-Amyloid Reduction and Minimal Covalent Binding Burden.
Chemmedchem, 14, 2019
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1EB6
 | | Deuterolysin from Aspergillus oryzae | | Descriptor: | 1,2-ETHANEDIOL, NEUTRAL PROTEASE II, ZINC ION | | Authors: | McAuley, K.E, Jia-Xing, Y, Dodson, E.J, Lehmbeck, J, Ostergaard, P.R, Wilson, K.S. | | Deposit date: | 2001-07-19 | | Release date: | 2001-11-23 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | A Quick Solution: Ab Initio Structure Determination of a 19 kDa Metalloproteinase Using Acorn
Acta Crystallogr.,Sect.D, 57, 2001
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1FHJ
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7T4J
 | | Crystal Structure of EGFR_D770_N771insNPG/V948R in complex with TAK-788 | | Descriptor: | 1,2-ETHANEDIOL, CITRIC ACID, Epidermal growth factor receptor, ... | | Authors: | Skene, R.J, Lane, W, Hu, Y. | | Deposit date: | 2021-12-10 | | Release date: | 2022-12-07 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Discovery of mobocertinib, a potent, oral inhibitor of EGFR exon 20 insertion mutations in non-small cell lung cancer.
Bioorg.Med.Chem.Lett., 80, 2022
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7T4I
 | | Crystal Structure of wild type EGFR in complex with TAK-788 | | Descriptor: | Epidermal growth factor receptor, propan-2-yl 2-[[4-[2-(dimethylamino)ethyl-methyl-amino]-2-methoxy-5-(propanoylamino)phenyl]amino]-4-(1-methylindol-3-yl)pyrimidine-5-carboxylate | | Authors: | Skene, R.J, Lane, W. | | Deposit date: | 2021-12-10 | | Release date: | 2022-12-07 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.61 Å) | | Cite: | Discovery of mobocertinib, a potent, oral inhibitor of EGFR exon 20 insertion mutations in non-small cell lung cancer.
Bioorg.Med.Chem.Lett., 80, 2022
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7OKB
 | | Crystal structure of Pseudomonas aeruginosa LpxA in complex with compound 45 | | Descriptor: | Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase, CHLORIDE ION, SULFATE ION, ... | | Authors: | Ryan, M.D, Parkes, A.L, Southey, M, Andersen, O.A, Zahn, M, Barker, J, DeJonge, B.L.M. | | Deposit date: | 2021-05-17 | | Release date: | 2021-10-06 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3.58 Å) | | Cite: | Discovery of Novel UDP- N -Acetylglucosamine Acyltransferase (LpxA) Inhibitors with Activity against Pseudomonas aeruginosa .
J.Med.Chem., 64, 2021
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7OKC
 | | Crystal structure of Escherichia coli LpxA in complex with compound 1 | | Descriptor: | 2-[2-(2-chlorophenyl)sulfanylethanoyl-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]amino]-N-methyl-ethanamide, Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase, SODIUM ION | | Authors: | Ryan, M.D, Parkes, A.L, Southey, M, Andersen, O.A, Zahn, M, Barker, J, DeJonge, B.L.M. | | Deposit date: | 2021-05-17 | | Release date: | 2021-10-06 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Discovery of Novel UDP- N -Acetylglucosamine Acyltransferase (LpxA) Inhibitors with Activity against Pseudomonas aeruginosa .
J.Med.Chem., 64, 2021
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7OKA
 | | Crystal structure of Pseudomonas aeruginosa LpxA in complex with compound 14 | | Descriptor: | 2-(2-chlorophenyl)sulfanyl-~{N}-[(4-cyanophenyl)methyl]-~{N}-(1~{H}-imidazol-4-ylmethyl)ethanamide, Acyl-[acyl-carrier-protein]-UDP-N-acetylglucosamine O-acyltransferase, CHLORIDE ION, ... | | Authors: | Ryan, M.D, Parkes, A.L, Southey, M, Andersen, O.A, Zahn, M, Barker, J, DeJonge, B.L.M. | | Deposit date: | 2021-05-17 | | Release date: | 2021-10-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.74 Å) | | Cite: | Discovery of Novel UDP- N -Acetylglucosamine Acyltransferase (LpxA) Inhibitors with Activity against Pseudomonas aeruginosa .
J.Med.Chem., 64, 2021
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7OWY
 | | Crystal structure of human mitochondrial ferritin (hMTF) Fe(II)-loaded for 3 minutes showing a peroxide anion as bridging species of iron ions in the ferroxidase site | | Descriptor: | CHLORIDE ION, FE (II) ION, Ferritin, ... | | Authors: | Pozzi, C, Ciambellotti, S, Tassone, G, Turano, P, Mangani, S. | | Deposit date: | 2021-06-21 | | Release date: | 2021-10-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Iron Binding in the Ferroxidase Site of Human Mitochondrial Ferritin.
Chemistry, 27, 2021
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5TR0
 | | Lipoxygenase-1 (soybean) L754A mutant at 293K | | Descriptor: | FE (II) ION, Seed linoleate 13S-lipoxygenase-1 | | Authors: | Poss, E.M, Fraser, J.S. | | Deposit date: | 2016-10-24 | | Release date: | 2017-11-01 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Biophysical Characterization of a Disabled Double Mutant of Soybean Lipoxygenase: The "Undoing" of Precise Substrate Positioning Relative to Metal Cofactor and an Identified Dynamical Network.
J.Am.Chem.Soc., 141, 2019
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5TQP
 | | LIPOXYGENASE-1 (SOYBEAN) I553G MUTANT AT 300K | | Descriptor: | FE (III) ION, Seed linoleate 13S-lipoxygenase-1 | | Authors: | Poss, E.M, Fraser, J.S. | | Deposit date: | 2016-10-24 | | Release date: | 2017-11-01 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Hydrogen-Deuterium Exchange of Lipoxygenase Uncovers a Relationship between Distal, Solvent Exposed Protein Motions and the Thermal Activation Barrier for Catalytic Proton-Coupled Electron Tunneling.
ACS Cent Sci, 3, 2017
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5TQO
 | | Lipoxygenase-1 (soybean) L546A/L754A mutant at 300K | | Descriptor: | FE (III) ION, Seed linoleate 13S-lipoxygenase-1 | | Authors: | Poss, E.M, Fraser, J.S, Gee, C. | | Deposit date: | 2016-10-24 | | Release date: | 2017-11-01 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Biophysical Characterization of a Disabled Double Mutant of Soybean Lipoxygenase: The "Undoing" of Precise Substrate Positioning Relative to Metal Cofactor and an Identified Dynamical Network.
J.Am.Chem.Soc., 141, 2019
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5TQN
 | | Lipoxygenase-1 (soybean) L546A mutant at 293K | | Descriptor: | FE (II) ION, Seed linoleate 13S-lipoxygenase-1 | | Authors: | Poss, E.M, Fraser, J.S, Gee, C. | | Deposit date: | 2016-10-24 | | Release date: | 2017-11-01 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Biophysical Characterization of a Disabled Double Mutant of Soybean Lipoxygenase: The "Undoing" of Precise Substrate Positioning Relative to Metal Cofactor and an Identified Dynamical Network.
J.Am.Chem.Soc., 141, 2019
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5T5V
 | | LIPOXYGENASE-1 (SOYBEAN) AT 293K | | Descriptor: | FE (III) ION, Seed linoleate 13S-lipoxygenase-1 | | Authors: | Poss, E.M, Fraser, J.S. | | Deposit date: | 2016-08-31 | | Release date: | 2017-09-06 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Hydrogen-Deuterium Exchange of Lipoxygenase Uncovers a Relationship between Distal, Solvent Exposed Protein Motions and the Thermal Activation Barrier for Catalytic Proton-Coupled Electron Tunneling.
ACS Cent Sci, 3, 2017
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5T9F
 | | Prephenate Dehydrogenase N222D mutant from Soybean | | Descriptor: | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Prephenate dehydrogenase 1, TYROSINE | | Authors: | Holland, C.K, Jez, J.M. | | Deposit date: | 2016-09-09 | | Release date: | 2017-06-28 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.994 Å) | | Cite: | Molecular basis of the evolution of alternative tyrosine biosynthetic routes in plants.
Nat. Chem. Biol., 13, 2017
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4Y9A
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5AFS
 | | structure of Zn-bound periplasmic metal binding protein from candidatus liberibacter asiaticus | | Descriptor: | ACETATE ION, GLYCEROL, PERIPLASMIC SOLUTE BINDING PROTEIN, ... | | Authors: | Sharma, N, Selvakumar, P, Kumar, P, Sharma, A.K. | | Deposit date: | 2015-01-23 | | Release date: | 2016-02-24 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | Crystal structure analysis in Zn(2+)-bound state and biophysical characterization of CLas-ZnuA2.
Biochim. Biophys. Acta, 1864, 2016
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4Y8F
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4Y96
 | | Crystal structure of Triosephosphate Isomerase from Gemmata obscuriglobus | | Descriptor: | CALCIUM ION, PHOSPHATE ION, SODIUM ION, ... | | Authors: | Romero-Romero, S, Rodriguez-Romero, A, Fernandez-Velasco, D.A. | | Deposit date: | 2015-02-17 | | Release date: | 2015-07-15 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.581 Å) | | Cite: | Reversibility and two state behaviour in the thermal unfolding of oligomeric TIM barrel proteins.
Phys Chem Chem Phys, 17, 2015
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4Y90
 | | Crystal structure of Triosephosphate Isomerase from Deinococcus radiodurans | | Descriptor: | CALCIUM ION, GLYCEROL, SODIUM ION, ... | | Authors: | Romero-Romero, S, Rodriguez-Romero, A, Fernadez-Velasco, D.A. | | Deposit date: | 2015-02-16 | | Release date: | 2015-07-15 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Reversibility and two state behaviour in the thermal unfolding of oligomeric TIM barrel proteins.
Phys Chem Chem Phys, 17, 2015
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4ABI
 | | Co-complex structure of bovine trypsin with a modified Bowman-Birk inhibitor (PtA)SFTI-1(1,14), that was 1,4-disubstituted with a 1,2,3- trizol to mimic a trans amide bond | | Descriptor: | CALCIUM ION, CATIONIC TRYPSIN, DIMETHYLFORMAMIDE, ... | | Authors: | Schmelz, S, Empting, M, Tischler, M, Nasu, D, Heinz, D, Kolmar, H. | | Deposit date: | 2011-12-08 | | Release date: | 2012-03-07 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Braces for the Peptide Backbone: Insights Into Structure-Activity Relation-Ships of Protease Inhibitor Mimics with Locked Amide Conformations
Angew.Chem.Int.Ed.Engl., 51, 2012
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5T95
 | | Prephenate Dehydrogenase M219T, N222D mutant from Soybean | | Descriptor: | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Prephenate dehydrogenase 1, TYROSINE | | Authors: | Holland, C.K, Jez, J.M. | | Deposit date: | 2016-09-09 | | Release date: | 2017-06-28 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.689 Å) | | Cite: | Molecular basis of the evolution of alternative tyrosine biosynthetic routes in plants.
Nat. Chem. Biol., 13, 2017
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