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SOLVATED REFINEMENT OF CA-LOADED CALBINDIN D9K
Descriptor:	CALCIUM ION, PROTEIN (CALBINDIN D9K)
Authors:	Kordel, J, Pearlman, D.A, Chazin, W.J.
Deposit date:	1998-11-20
Release date:	1998-11-25
Last modified:	2023-12-27
Method:	SOLUTION NMR
Cite:	Protein solution structure calculations in solution: solvated molecular dynamics refinement of calbindin D9k. J.Biomol.NMR, 10, 1997

FK506 BINDING PROTEIN FKBP MUTANT R42K/H87V COMPLEX WITH IMMUNOSUPPRESSANT FK506
Descriptor:	8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN, FK506 BINDING PROTEIN
Authors:	Itoh, S, Decenzo, M.T, Livingston, D.J, Pearlman, D.A, Navia, M.A.
Deposit date:	1995-10-18
Release date:	1996-08-01
Last modified:	2024-02-07
Method:	X-RAY DIFFRACTION (1.6 Å)
Cite:	Conformation of Fk506 in X-Ray Structures of its Complexes with Human Recombinant Fkbp12 Mutants Bioorg.Med.Chem.Lett., 5, 1995

Crystal structure of p38 kinase bound to pyrimido-pyridazinone inhibitor
Descriptor:	5-(2,6-dichlorophenyl)-2-[(2,4-difluorophenyl)sulfanyl]-6H-pyrimido[1,6-b]pyridazin-6-one, CHLORIDE ION, Mitogen-activated protein kinase 14
Authors:	Jacobs, M.D, Bellon, S.
Deposit date:	2008-11-20
Release date:	2008-12-09
Last modified:	2023-12-27
Method:	X-RAY DIFFRACTION (2.4 Å)
Cite:	Evaluating the molecular mechanics poisson-boltzmann surface area free energy method using a congeneric series of ligands to p38 MAP kinase. J.Med.Chem., 48, 2005

SOLUTION STRUCTURE OF [D(GTATATAC)]2 VIA RESTRAINED MOLECULAR DYNAMICS SIMULATIONS WITH NUCLEAR MAGNETIC RESONANCE CONSTRAINTS DERIVED FROM RELAXATION MATRIX ANALYSIS OF TWO-DIMENSIONAL NUCLEAR OVERHAUSER EFFECT EXPERIMENTS
Descriptor:	DNA (5'-D(GPTPAPTPAPTPAPC)-3')
Authors:	Schmitz, U, James, T.L.
Deposit date:	1991-05-15
Release date:	1993-04-15
Last modified:	2024-05-22
Method:	SOLUTION NMR
Cite:	Solution structure of [d(GTATATAC)]2 via restrained molecular dynamics simulations with nuclear magnetic resonance constraints derived from relaxation matrix analysis of two-dimensional nuclear Overhauser effect experiments. J.Mol.Biol., 221, 1991