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1B1G
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BU of 1b1g by Molmil
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
1BKF
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BU of 1bkf by Molmil
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
3FC1
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BU of 3fc1 by Molmil
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
1D42
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BU of 1d42 by Molmil
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(*GP*TP*AP*TP*AP*TP*AP*C)-3')
Authors:Schmitz, U, James, T.L.
Deposit date:1991-05-15
Release date:1993-04-15
Last modified:2022-02-16
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

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