Analysis of ligand-bound water molecules in high-resolution crystal structures of protein− ligand complexes

Y Lu, R Wang, CY Yang, S Wang - Journal of chemical information …, 2007 - ACS Publications
ligand complexes with experimentally measured binding affinity data and crystal structures,
21 … We selected from PDBbind the crystal structures that contain the atomic coordinates for …

[HTML][HTML] Crystal structures of myoglobin-ligand complexes at near-atomic resolution

J Vojtěchovský, K Chu, J Berendzen, RM Sweet… - Biophysical journal, 1999 - cell.com
… One structural parameter previously thought to vary among … nearly identical in all the ferrous
complexes, although the tilt of … In the CO complex the majority conformation of ligand is at an …

Comparison of the crystal structures of tris heterocyclic ligand complexes of ruthenium (II)

DP Rillema, DS Jones, C Woods, HA Levy - Inorganic Chemistry, 1992 - ACS Publications
… (II) complexes for similar behavior. 1 Among these are ruthenium (II) complexes based on
analogous ligands, 2, 2/-… 4 5 The bpy, bpm and bpz ligands differ in their- and bpy bpm bpz …

Structures of immunophilins and their ligand complexes

J Dornan, P Taylor… - Current topics in medicinal …, 2003 - ingentaconnect.com
… Two recent papers have described the crystal structure of the ternary complex between
CypA, CsA, truncated CnA and full length CnB [63,64] (Figure 17). The protein-drug …

Crystal structures of ligand complexes of P450eryF exhibiting homotropic cooperativity

J Cupp-Vickery, R Anderson… - Proceedings of the …, 2000 - National Acad Sciences
… The x-ray crystallographic structure of the P450eryF/6-DEB complex reveals that P450eryF
… This study details spectral binding assays and x-ray crystallographic structures of P450eryF …

Synthesis and crystal structure of some transition metal complexes with a novel bis-Schiff base ligand and their antitumor activities

X Zhong, J Yi, J Sun, HL Wei, WS Liu, KB Yu - European journal of …, 2006 - Elsevier
… The possible structures of complexes of Cu(II), Mn(II), Co(II) and Ni(II) ions … ) complex contains
one chelating ligand L with a ratio of 1:1, and no H 2 O or solvent, so it is a planar structure

Cobalt complexes of terpyridine ligand: crystal structure and photocleavage of DNA

R Indumathy, S Radhika, M Kanthimathi… - Journal of inorganic …, 2007 - Elsevier
… We have designed new cobalt complexes derived from a tridentate ligand, pyridine … reactive
and structural properties shown by the transition metal complexes of this family of ligands [36…

Coordination modes of the squarate ligand: syntheses and crystal structures of six copper (II) squarate complexes

X Solans, M Aguilo, A Gleizes, J Faus, M Julve… - Inorganic …, 1990 - ACS Publications
… 13b Some structures of polymeric complexesin which the squarate acts as a … bridging ligand
are also known. We reporthere the crystal structures of six new Cu(II)-squarate complexes of …

Crystal structure of amylose complexes with small ligands

J Nuessli, JL Putaux, P Le Bail, A Buléon - International Journal of …, 2003 - Elsevier
… shown that the crystalline structure of certain amylose-flavor complexes was clearly comparable
to that of complexes with isopropanol. Such crystalline structures involve sixfold single …

… : a novel method for distinguishing between bound and displaceable water molecules in the crystal structure of the binding site of protein-ligand complexes

AT García-Sosa, RL Mancera, PM Dean - Journal of molecular modeling, 2003 - Springer
… had more than one complex with a number of ligands, and these were treated … crystal
structure of the free protein (1cex) and two crystal structures of complexes with two different ligands