8JUA
 
 | | Multifunctional cytochrome P450 enzyme IkaD from Streptomyces sp. ZJ306, in complex with epoxyikarugamycin | | Descriptor: | (1Z,3E,5S,7R,8R,10R,11R,12S,13R,15S,16R,17S,19Z,26S)-11-ethyl-2-hydroxy-10-methyl-22,27-diaza-14 oxahexacyclo[24.2.1.05,17.07,16.013,15.08,12]nonacosa-1(2),3,19-triene-21,28,29-trione, Cytochrome P450, FORMIC ACID, ... | | Authors: | Zhang, Y.L, Zhang, L.P, Zhang, C.S. | | Deposit date: | 2023-06-26 | | Release date: | 2023-11-15 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.00001121 Å) | | Cite: | A Mechanistic Understanding of the Distinct Regio- and Chemoselectivity of Multifunctional P450s by Structural Comparison of IkaD and CftA Complexed with Common Substrates.
Angew.Chem.Int.Ed.Engl., 62, 2023
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5D48
 | | Crystal Structure of FABP4 in complex with 3-{5-cyclopropyl-3-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[3-(propan-2-yloxy) phenyl]-1H-indol-1-yl}propanoic acid | | Descriptor: | 3-{5-cyclopropyl-3-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[3-(propan-2-yloxy)phenyl]-1H-indol-1-yl}propanoic acid, Fatty acid-binding protein, adipocyte, ... | | Authors: | Tagami, U, Takahashi, K, Igarashi, S, Ejima, C, Yoshida, T, Takeshita, S, Miyanaga, W, Sugiki, M, Tokumasu, M, Hatanaka, T, Kashiwagi, T, Ishikawa, K, Miyano, H, Mizukoshi, T. | | Deposit date: | 2015-08-07 | | Release date: | 2016-06-22 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Interaction Analysis of FABP4 Inhibitors by X-ray Crystallography and Fragment Molecular Orbital Analysis
Acs Med.Chem.Lett., 7, 2016
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5D5R
 | | Horse-heart myoglobin - deoxy state | | Descriptor: | Myoglobin, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Barends, T, Schlichting, I. | | Deposit date: | 2015-08-11 | | Release date: | 2015-09-16 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Direct observation of ultrafast collective motions in CO myoglobin upon ligand dissociation.
Science, 350, 2015
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5D52
 | | In meso in situ serial X-ray crystallography structure of insulin at room temperature | | Descriptor: | Insulin A chain, Insulin B chain, PHOSPHATE ION | | Authors: | Huang, C.-Y, Olieric, V, Warshamanage, R, Diederichs, K, Wang, M, Caffrey, M. | | Deposit date: | 2015-08-10 | | Release date: | 2016-01-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | In meso in situ serial X-ray crystallography of soluble and membrane proteins at cryogenic temperatures.
Acta Crystallogr D Struct Biol, 72, 2016
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5D54
 | | In meso X-ray crystallography structure of insulin at 100 K | | Descriptor: | 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, Insulin A chain, Insulin B chain, ... | | Authors: | Huang, C.-Y, Olieric, V, Wang, M, Caffrey, M. | | Deposit date: | 2015-08-10 | | Release date: | 2016-01-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | In meso in situ serial X-ray crystallography of soluble and membrane proteins at cryogenic temperatures.
Acta Crystallogr D Struct Biol, 72, 2016
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5NBJ
 | | DLS Tetragonal - ReHEWL | | Descriptor: | CHLORIDE ION, Lysozyme C, RHENIUM, ... | | Authors: | Brink, A, Helliwell, J.R. | | Deposit date: | 2017-03-02 | | Release date: | 2017-05-10 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.266 Å) | | Cite: | New leads for fragment-based design of rhenium/technetium radiopharmaceutical agents.
IUCrJ, 4, 2017
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5D65
 | | X-RAY STRUCTURE OF MACROPHAGE INFLAMMATORY PROTEIN-1 ALPHA (CCL3) WITH HEPARIN COMPLEX | | Descriptor: | 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid, C-C motif chemokine 3, CHLORIDE ION, ... | | Authors: | Liang, W.G, Hwang, D.Y, Zulueta, M.M, Hung, S.C, Tang, W. | | Deposit date: | 2015-08-11 | | Release date: | 2016-04-20 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structural basis for oligomerization and glycosaminoglycan binding of CCL5 and CCL3.
Proc.Natl.Acad.Sci.USA, 113, 2016
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5NBA
 | | Complement factor D in complex with the inhibitor (2S,4R)-4-Fluoro-pyrrolidine-1,2-dicarboxylic acid 1-[(1-carbamoyl-1H-indol-3-yl)-amide] 2-[(3-trifluoromethoxy-phenyl)-amide] | | Descriptor: | (2~{S},4~{R})-~{N}1-(1-aminocarbonylindol-3-yl)-4-fluoranyl-~{N}2-[3-(trifluoromethyloxy)phenyl]pyrrolidine-1,2-dicarboxamide, Complement factor D | | Authors: | Mac Sweeney, A, Ostermann, N. | | Deposit date: | 2017-03-01 | | Release date: | 2017-06-28 | | Last modified: | 2017-07-26 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Discovery of Highly Potent and Selective Small-Molecule Reversible Factor D Inhibitors Demonstrating Alternative Complement Pathway Inhibition in Vivo.
J. Med. Chem., 60, 2017
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5D5E
 | | In meso in situ serial X-ray crystallography structure of insulin by sulfur-SAD at 100 K | | Descriptor: | 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, Insulin A chain, Insulin B chain, ... | | Authors: | Huang, C.-Y, Olieric, V, Warshamanage, R, Diederichs, K, Wang, M, Caffrey, M. | | Deposit date: | 2015-08-10 | | Release date: | 2016-01-13 | | Last modified: | 2016-03-02 | | Method: | X-RAY DIFFRACTION (2.407 Å) | | Cite: | In meso in situ serial X-ray crystallography of soluble and membrane proteins at cryogenic temperatures.
Acta Crystallogr D Struct Biol, 72, 2016
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5NCW
 | | Structure of the trypsin induced serpin-type proteinase inhibitor, miropin (V367K/K368A mutant). | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, GLYCEROL, ... | | Authors: | Goulas, T, Ksiazek, M, Garcia-Ferrer, I, Mizgalska, D, Potempa, J, Gomis-Ruth, X. | | Deposit date: | 2017-03-06 | | Release date: | 2017-05-24 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | A structure-derived snap-trap mechanism of a multispecific serpin from the dysbiotic human oral microbiome.
J. Biol. Chem., 292, 2017
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5NI1
 | | CryoEM structure of haemoglobin at 3.2 A determined with the Volta phase plate | | Descriptor: | Hemoglobin subunit alpha, Hemoglobin subunit beta, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Khoshouei, M, Radjainia, M, Bunker, R, Baumeister, W, Danev, R. | | Deposit date: | 2017-03-22 | | Release date: | 2017-04-12 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Cryo-EM structure of haemoglobin at 3.2 angstrom determined with the Volta phase plate.
Nat Commun, 8, 2017
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5NMZ
 | | human Neurturin (97-197) | | Descriptor: | GLYCEROL, Neurturin | | Authors: | Bigalke, J.M, Sandmark, J, Roth, R. | | Deposit date: | 2017-04-07 | | Release date: | 2018-02-14 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structure and biophysical characterization of the human full-length neurturin-GFRa2 complex: A role for heparan sulfate in signaling.
J. Biol. Chem., 293, 2018
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5DF5
 | | The structure of oxidized rat cytochrome c (T28E) at 1.30 angstroms resolution. | | Descriptor: | Cytochrome c, somatic, HEME C, ... | | Authors: | Edwards, B.F.P, Mahapatra, G, Vaishnav, A.A, Brunzelle, J.S, Huttemann, M. | | Deposit date: | 2015-08-26 | | Release date: | 2016-09-14 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.301 Å) | | Cite: | The structure of oxidized rat cytochrome c (T28E) at 1.30 angstroms resolution.
To Be Published
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5DFT
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5DGC
 | | Reaction of phosphorylated CheY with imidazole 2 of 3 | | Descriptor: | BERYLLIUM TRIFLUORIDE ION, CHLORIDE ION, Chemotaxis protein CheY, ... | | Authors: | Page, S, Silversmith, R.E, Bourret, R.B, Collins, E.J. | | Deposit date: | 2015-08-27 | | Release date: | 2016-03-09 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Imidazole as a Small Molecule Analogue in Two-Component Signal Transduction.
Biochemistry, 54, 2015
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5CW1
 | | Proteinase K complexed with 4-iodopyrazole | | Descriptor: | 4-IODOPYRAZOLE, IODIDE ION, Proteinase K, ... | | Authors: | Bauman, J.D, Arnold, E. | | Deposit date: | 2015-07-27 | | Release date: | 2015-12-30 | | Last modified: | 2017-09-27 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Rapid experimental SAD phasing and hot spot identification with halogenated fragments
Iucrj, 3, 2016
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8IE6
 | | Crystal structure of DAPK1 in complex with pinostilbene | | Descriptor: | 3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-methoxy-phenol, Death-associated protein kinase 1, SULFATE ION | | Authors: | Yokoyama, T. | | Deposit date: | 2023-02-15 | | Release date: | 2023-05-24 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.701 Å) | | Cite: | Characterization of the molecular interactions between resveratrol derivatives and death-associated protein kinase 1.
Febs J., 290, 2023
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5CYT
 | | REFINEMENT OF MYOGLOBIN AND CYTOCHROME C | | Descriptor: | CYTOCHROME C, HEME C | | Authors: | Takano, T. | | Deposit date: | 1988-01-14 | | Release date: | 1989-07-12 | | Last modified: | 2021-03-03 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Refinement of Myoglobin and Cytochrome C
Methods and Applications in Crystallographic Computing, 1984
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5CYX
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8IE5
 | | Crystal structure of DAPK1 in complex with oxyresveratrol | | Descriptor: | Death-associated protein kinase 1, SULFATE ION, trans-oxyresveratrol | | Authors: | Yokoyama, T. | | Deposit date: | 2023-02-15 | | Release date: | 2023-05-24 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.803 Å) | | Cite: | Characterization of the molecular interactions between resveratrol derivatives and death-associated protein kinase 1.
Febs J., 290, 2023
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5D14
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8IE8
 | | Crystal structure of DAPK1 in complex with isorhapontigenin | | Descriptor: | 5-[(~{E})-2-(3-methoxy-4-oxidanyl-phenyl)ethenyl]benzene-1,3-diol, Death-associated protein kinase 1, SULFATE ION | | Authors: | Yokoyama, T. | | Deposit date: | 2023-02-15 | | Release date: | 2023-05-24 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Characterization of the molecular interactions between resveratrol derivatives and death-associated protein kinase 1.
Febs J., 290, 2023
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8IE7
 | | Crystal structure of DAPK1 in complex with pterostilbene | | Descriptor: | Death-associated protein kinase 1, Pterostilbene, SULFATE ION | | Authors: | Yokoyama, T. | | Deposit date: | 2023-02-15 | | Release date: | 2023-05-24 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.849 Å) | | Cite: | Characterization of the molecular interactions between resveratrol derivatives and death-associated protein kinase 1.
Febs J., 290, 2023
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5D1I
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5D4A
 | | Crystal Structure of FABP4 in complex with 3-(2-phenyl-1H-indol-1-yl)propanoic acid | | Descriptor: | 3-(2-phenyl-1H-indol-1-yl)propanoic acid, Fatty acid-binding protein, adipocyte | | Authors: | Tagami, U, Takahashi, K, Igarashi, S, Ejima, C, Yoshida, T, Takeshita, S, Miyanaga, W, Sugiki, M, Tokumasu, M, Hatanaka, T, Kashiwagi, T, Ishikawa, K, Miyano, H, Mizukoshi, T. | | Deposit date: | 2015-08-07 | | Release date: | 2016-06-22 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Interaction Analysis of FABP4 Inhibitors by X-ray Crystallography and Fragment Molecular Orbital Analysis
Acs Med.Chem.Lett., 7, 2016
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