Co-crystal data

Highest descriptor correlations in the co-crystal data set. Only correlations calculated for the same descriptor of both molecules in a co-crystal are given. Descriptors are defined in the text. 

Technical data. The Harshaw Chemical Co., Crystal and Electronics Dept., Solon, Ohio. 

Organomet. Chem. 35, 161 (1972) C2H4Fe(CO)4- Includes crystal data... 

Raman and IR spectra and assignments for monosubstituted t)6-arene Cr(CO)3 species including crystal data... 

The Di Xia research group has completed X-ray crystallographic studies of cytochrome bci with a number of different inhibitors (PDB ISQB, ISQP, ISQQ, ISQV, ISQX). Crystals suitable for crystallography were obtained by co-crystallization of the inhibitor with the native enzyme. Data for two of the inhibitor-modified cytochrome bci complex (PDB ISQP and ISQX) are included in Table 7.6 and Table 7.7. Qne inhibitor-enzyme complex studied by... 

Once an entry of interest in the Cambridge X-ray file has been located by one of the search programs, its crystal sequence number can be used to retrieve the appropriate literature reference, structure, or co-ordinate data or both. 

Figure 1. Since the mid-1990s, high throughput technologies have rapidly expanded the number of targets that have been expressed and successfully co-crystallized. This figure shows the substantial growth in the number of distinct kinase co-crystals in the public domain (data for plot gathered from the PDB).

Diversity analysis and physical property calculation were performed by Ceris2 (4). HKL package was applied for X-ray data process (6) and the X-ray structure determination and refinement were carried out by CNX (4). X-ray co-crystal complex structures discussed in this chapter were deposited in PDB database with codes 205D, 2HWH, 2HWI, and 21 IK... 

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