Datasets from the Harvard Medical School



X-Ray Diffraction data from Mouse surfactant protein B, N-terminal domain (Y59A/H79A mutant) with bound lipid, source of 6W1B structure

Native dataset, 0.979 angstroms

X-Ray Diffraction data from Mouse surfactant protein B, N-terminal domain (K46E/R51E mutant) with bound lipid, source of 6VZD structure

Native dataset #4 of 4 that were merged for structure solution

X-Ray Diffraction data from Mouse surfactant protein B, N-terminal domain (K46E/R51E mutant) with bound lipid, source of 6VZD structure

Native dataset #3 of 4 that were merged for structure solution

X-Ray Diffraction data from Mouse surfactant protein B, N-terminal domain (K46E/R51E mutant) with bound lipid, source of 6VZD structure

Native dataset #2 of 4 that were merged for structure solution

X-Ray Diffraction data from Mouse surfactant protein B, N-terminal domain (K46E/R51E mutant) with bound lipid, source of 6VZD structure

Native dataset #1 of 4 that were merged for structure solution

X-Ray Diffraction data from Mouse surfactant protein B, C-terminal domain, crystallized at low pH, source of 6VZE structure

Native dataset, collected at 0.979 angstroms

X-Ray Diffraction data from Mouse surfactant protein B, C-terminal domain, crystallized at high pH, source of 6VZ0 structure

Native dataset collected at 0.979 angstroms

X-Ray Diffraction data from Mouse surfactant protein B, wild-type N-terminal domain with bound lipid, source of 6VYN structure

Sulfur-SAD dataset #7 (of 7 that were merged to create a dataset for structure solution)

X-Ray Diffraction data from Mouse surfactant protein B, wild-type N-terminal domain with bound lipid, source of 6VYN structure

Sulfur-SAD dataset #6 (of 7 that were merged to create a dataset for structure solution)

X-Ray Diffraction data from Mouse surfactant protein B, wild-type N-terminal domain with bound lipid, source of 6VYN structure

Sulfur-SAD dataset #5 (of 7 that were merged to create a dataset for structure solution)

X-Ray Diffraction data from Mouse surfactant protein B, wild-type N-terminal domain with bound lipid, source of 6VYN structure

Sulfur-SAD dataset #4 (of 7 that were merged to create a dataset for structure solution)

X-Ray Diffraction data from Mouse surfactant protein B, wild-type N-terminal domain with bound lipid, source of 6VYN structure

Sulfur-SAD dataset #3 (of 7 that were merged to create a dataset for structure solution)

X-Ray Diffraction data from Mouse surfactant protein B, wild-type N-terminal domain with bound lipid, source of 6VYN structure

Sulfur-SAD dataset #2 (of 7 that were merged to create a dataset for structure solution)

X-Ray Diffraction data from Mouse surfactant protein B, wild-type N-terminal domain with bound lipid, source of 6VYN structure

Sulfur-SAD dataset #1 (of 7 that were merged to create a dataset for structure solution)

X-Ray Diffraction data from Npl4 zinc finger and MPN domains (Chaetomium thermophilum), source of 6CDD structure

Zn peak dataset

X-Ray Diffraction data from Kluyveromyces lactis Ctf19-Mcm21, source of 3ZXU structure

X-ray diffraction data of crystals from Kluyveromyces lactis Ctf19-Mcm21; three data sets from native protein crystal

X-Ray Diffraction data from Kluyveromyces lactis Ctf19-Mcm21, source of 3ZXU structure

X-ray diffraction data of crystals from Kluyveromyces lactis central kinetochore proteins Ctf19-Mcm21; one anomalous data set from selenomethionine-derivatized protein crystal;

X-Ray Diffraction data from Kluyveromyces lactis Ctf19-Mcm21 D-RWD domains bound with fragment of Kluyveromyces lactis Okp1, source of 5MU3 structure

X-ray diffraction data of crystals of Kluyveromyces lactis central kinetochore proteins Ctf19-Mcm21 D-RWD domains bound with fragment of Kluyveromyces lactis central kinetochore protein Okp1

X-Ray Diffraction data from WD40 domain of Human E3 Ubiquitin Ligase COP1 (RFWD2) bound to peptide from Trib1, source of 5IGQ structure

single wavelength dataset of single crystal

X-Ray Diffraction data from WD40 domain of Arabidopsis thaliana E3 Ubiquitin Ligase COP1 in complex with peptide from Trib1, source of 5IGO structure

single wavelength x ray data set of single crystal

X-Ray Diffraction data from WD40 domain of Human E3 Ubiquitin Ligase COP1 (RFWD2) , source of 5HQG structure

single wavelength dataset of single crystal

human O-GlcNAc transferase

MD trajectory. The coordinates of the OGT–UDP–peptide complex (PDB 3PE4) were optimized in the Protein Preparation Wizard (Schrodinger 2009) where hydrogens were added; water molecules, UDP and peptide were stripped; and the structure was minimized using the OPLS2001 forcefield. The 1-μm simulation used the CHARM27 forcefield46, and the simple point charge model for water47. The CHARM27 forcefield was applied to the system using the VIPARR utility. The default Desmond relaxation was performed before simulation, and molecular dynamics were run at constant temperature (300 K) and pressure (1 bar). The simulation was performed by using the program Desmond, version 2.2.9.1.030 compiled by SBGrid on an optimized 64-node Linux-based InfiniBand cluster and took 75 days to complete. Molecular dynamics trajectories were processed and animated with VMD48.

X-Ray Diffraction data from Brd4 in complex with compound 32, source of structure

Native dataset

X-Ray Diffraction data from M2 muscarinic acetylcholine receptor, source of 4MQT structure

This dataset is compiled from 18 crystals of M2 receptor grown in the presence of the agonist iperoxo and the allosteric modulator LY2119620.

X-Ray Diffraction data from SpyTag/SpyCatcher, source of 4MLI structure

Native data

X-Ray Diffraction data from Protein translocation ATPase SecA, source of 4YS0 structure

Native dataset

X-Ray Diffraction data from S. cerevisiae Csm1 69-190, source of 3N4S structure

Native dataset, P21212 form

X-Ray Diffraction data from S. cerevisiae Csm1 69-190 L157M mutant, Selenomethionine-labeled, source of 3N4R structure

Two-wedge SeMet peak wavelength dataset

X-Ray Diffraction data from S. cerevisiae Csm1-Lrs4 complex, source of 3N7N structure

Native dataset

X-Ray Diffraction data from S. cerevisiae Csm1-Mam1 complex, source of 4EMC structure

Native dataset

X-Ray Diffraction data from Lin28/let-7d microRNA complex, source of 3TRZ structure

Native dataset

X-Ray Diffraction data from Lin28/let-7d microRNA complex, source of 3TRZ structure

Zn-SAD dataset

X-Ray Diffraction data from Lin28/let-7f-1 microRNA complex, source of 3TS0 structure

native dataset

X-Ray Diffraction data from Lin28A/let-7g microRNA complex, source of 3TS2 structure

Native Dataset