5O17
 
 | | Crystal structure of murine neuroglobin under 100 bar krypton | | Descriptor: | KRYPTON, Neuroglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Colloc'h, N, Prange, T, Vallone, B, Carpentier, P. | | Deposit date: | 2017-05-18 | | Release date: | 2017-11-15 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Mapping Hydrophobic Tunnels and Cavities in Neuroglobin with Noble Gas under Pressure.
Biophys. J., 113, 2017
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5O40
 | | SOD1 bound to Ebselen | | Descriptor: | N-phenyl-2-selanylbenzamide, SULFATE ION, Superoxide dismutase [Cu-Zn], ... | | Authors: | Capper, M.J, Wright, G.S.A, Antonyuk, S.V, Hasnain, S.S. | | Deposit date: | 2017-05-25 | | Release date: | 2018-06-13 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | The cysteine-reactive small molecule ebselen facilitates effective SOD1 maturation.
Nat Commun, 9, 2018
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5DS1
 | | Core domain of the class II small heat-shock protein HSP 17.7 from Pisum sativum | | Descriptor: | 17.1 kDa class II heat shock protein | | Authors: | Hochberg, G.K.A, Laganoswky, A, Allison, T.A, Shepherd, D.A, Benesch, J.L.P. | | Deposit date: | 2015-09-16 | | Release date: | 2016-09-28 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.63 Å) | | Cite: | Structural principles that enable oligomeric small heat-shock protein paralogs to evolve distinct functions.
Science, 359, 2018
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5O4L
 | | Crystal structure of P450 CYP121 in complex with compound 6a. | | Descriptor: | 1-[(4-fluorophenyl)methyl]-4-(3-imidazol-1-ylpropyl)piperazin-2-one, Mycocyclosin synthase, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Levy, C.W. | | Deposit date: | 2017-05-29 | | Release date: | 2018-03-28 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Novel Aryl Substituted Pyrazoles as Small Molecule Inhibitors of Cytochrome P450 CYP121A1: Synthesis and Antimycobacterial Evaluation.
J. Med. Chem., 60, 2017
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5OC6
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5E5E
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5DU3
 | | Active form of human C1-inhibitor | | Descriptor: | Plasma protease C1 inhibitor | | Authors: | Pannu, N.S, Dijk, M, Holkers, J, Voskamp, P, Giannetti, B.M, Waterreus, W.J, van Veen, H.A. | | Deposit date: | 2015-09-18 | | Release date: | 2016-08-31 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | How Dextran Sulfate Affects C1-inhibitor Activity: A Model for Polysaccharide Potentiation.
Structure, 24, 2016
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5O18
 | | Crystal structure of murine neuroglobin mutant V140W | | Descriptor: | Neuroglobin, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION | | Authors: | Colloc'h, N, Prange, T. | | Deposit date: | 2017-05-18 | | Release date: | 2017-11-15 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Mapping Hydrophobic Tunnels and Cavities in Neuroglobin with Noble Gas under Pressure.
Biophys. J., 113, 2017
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8JQU
 | | Crystal structure of GppNHp bound GTPase domain of Rab5a from Leishmania donovani | | Descriptor: | 1,2-ETHANEDIOL, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | | Authors: | Pandey, D, Zohib, M, Pal, R.K, Biswal, B.K, Arora, A. | | Deposit date: | 2023-06-14 | | Release date: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.798 Å) | | Cite: | Crystal structure of GppNHp bound GTPase domain of Rab5a from Leishmania donovani
To Be Published
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5O2S
 | | Human KRAS in complex with darpin K27 | | Descriptor: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Debreczeni, J.E, Guillard, S, Kolasinska-Zwierz, P, Breed, J, Zhang, J, Bery, N, Marwood, R, Tart, J, Stocki, P, Mistry, B, Phillips, C, Rabbitts, T, Jackson, R, Minter, R. | | Deposit date: | 2017-05-22 | | Release date: | 2017-07-26 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (3.22 Å) | | Cite: | Structural and functional characterization of a DARPin which inhibits Ras nucleotide exchange.
Nat Commun, 8, 2017
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5NTY
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5NU6
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5NUM
 | | Engineered beta-lactoglobulin: variant F105L-L39A in complex with chlorpromazine (LG-LA-CLP) | | Descriptor: | 3-(2-chloro-10H-phenothiazin-10-yl)-N,N-dimethylpropan-1-amine, Beta-lactoglobulin, PHOSPHATE ION | | Authors: | Loch, J.I, Bonarek, P, Tworzydlo, M, Lazinska, I, Szydlowska, J, Lewinski, K. | | Deposit date: | 2017-04-30 | | Release date: | 2018-04-04 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The engineered beta-lactoglobulin with complementarity to the chlorpromazine chiral conformers.
Int. J. Biol. Macromol., 114, 2018
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5NVI
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8JPY
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5OBE
 | | X-ray structure of the adduct formed upon reaction of ribonuclease A with the compound fac-[RuII(CO)3Cl2(N3-MBI), MBI=methyl-benzimidazole | | Descriptor: | PHOSPHATE ION, Ribonuclease pancreatic, pentakis(oxidaniumyl)-(oxidaniumylidynemethyl)ruthenium, ... | | Authors: | Pontillo, N, Ferraro, G, Merlino, A. | | Deposit date: | 2017-06-26 | | Release date: | 2017-07-26 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Ru-Based CO releasing molecules with azole ligands: interaction with proteins and the CO release mechanism disclosed by X-ray crystallography.
Dalton Trans, 46, 2017
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5OCG
 | | Discovery of small molecules binding to KRAS via high affinity antibody fragment competition method. | | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, GTPase KRas, ... | | Authors: | Cruz-Migoni, A, Ehebauer, M.T, Phillips, S.E.V, Quevedo, C.E, Rabbitts, T.H. | | Deposit date: | 2017-06-30 | | Release date: | 2018-08-22 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | Small molecule inhibitors of RAS-effector protein interactions derived using an intracellular antibody fragment.
Nat Commun, 9, 2018
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5OCV
 | | A Rare Lysozyme Crystal Form Solved Using High-Redundancy 3D Electron Diffraction Data from Micron-Sized Needle Shaped Crystals | | Descriptor: | Lysozyme C, SODIUM ION | | Authors: | Xu, H, Lebrette, H, Yang, T, Srinivas, V, Hovmoller, S, Hogbom, M, Zou, X. | | Deposit date: | 2017-07-03 | | Release date: | 2018-03-28 | | Last modified: | 2024-01-17 | | Method: | ELECTRON CRYSTALLOGRAPHY (2.2 Å) | | Cite: | A Rare Lysozyme Crystal Form Solved Using Highly Redundant Multiple Electron Diffraction Datasets from Micron-Sized Crystals.
Structure, 26, 2018
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5NU9
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5NUJ
 | | Engineered beta-lactoglobulin: variant I56F-L39A in complex with chlorpromazine (LG-FA-CLP) | | Descriptor: | 3-(2-chloro-10H-phenothiazin-10-yl)-N,N-dimethylpropan-1-amine, Beta-lactoglobulin | | Authors: | Loch, J.I, Bonarek, P, Tworzydlo, M, Lazinska, I, Szydlowska, J, Lewinski, K. | | Deposit date: | 2017-04-30 | | Release date: | 2018-04-04 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | The engineered beta-lactoglobulin with complementarity to the chlorpromazine chiral conformers.
Int. J. Biol. Macromol., 114, 2018
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5NWE
 | | Complex of H275Y mutant variant of neuraminidase from H1N1 influenza virus with oseltamivir | | Descriptor: | (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Pachl, P, Pokorna, J. | | Deposit date: | 2017-05-05 | | Release date: | 2018-07-04 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Kinetic, Thermodynamic, and Structural Analysis of Drug Resistance Mutations in Neuraminidase from the 2009 Pandemic Influenza Virus.
Viruses, 10, 2018
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5NYM
 | | Crystal structure of the atypical poplar thioredoxin-like2.1 in reduced state | | Descriptor: | CHLORIDE ION, POTASSIUM ION, SULFATE ION, ... | | Authors: | Chibani, K, Saul, F.A, Haouz, A, Rouhier, N. | | Deposit date: | 2017-05-11 | | Release date: | 2018-02-28 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Structural snapshots along the reaction mechanism of the atypical poplar thioredoxin-like2.1.
FEBS Lett., 592, 2018
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5NUB
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5A0B
 | | Crystal Structure of human neutrophil elastase in complex with a dihydropyrimidone inhibitor | | Descriptor: | (4R)-4-(4-cyanophenyl)-6-methyl-2-oxidanylidene-3-[2-oxidanylidene-2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-[3-(trifluoromethyl)phenyl]-4H-pyrimidine-5-carbonitrile, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | | Authors: | vonNussbaum, F, Li, V.M.-J, Allerheiligen, S, Anlauf, S, Baerfacker, L, Bechem, M, Delbeck, M, Fitzgerald, M.F, Gerisch, M, Gielen-Haertwig, H, Haning, H, Karthaus, D, Lang, D, Lustig, K, Meibom, D, Mittendorf, J, Rosentreter, U, Schaefer, M, Schaefer, S, Schamberger, J, Telan, L.A, Tersteegen, A. | | Deposit date: | 2015-04-17 | | Release date: | 2015-08-19 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.23 Å) | | Cite: | Freezing the Bioactive Conformation to Boost Potency: The Identification of BAY 85-8501, a Selective and Potent Inhibitor of Human Neutrophil Elastase for Pulmonary Diseases.
ChemMedChem, 10, 2015
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5NU8
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