data_9JM # _chem_comp.id 9JM _chem_comp.name ;[[(2~{R},3~{S},4~{R},5~{R})-5-(3-aminocarbonylpyridin-1-ium-1-yl)-4-[[5-[4-cyano-2-[(~{E})-hydroxyiminomethyl]phenoxy]-1-oxidanyl-3~{H}-2,1$l^{4}-benzoxaborol-1-yl]oxy]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate ; _chem_comp.type NON-POLYMER _chem_comp.pdbx_type HETAIN _chem_comp.formula "C36 H38 B N9 O18 P2" _chem_comp.mon_nstd_parent_comp_id ? _chem_comp.pdbx_synonyms ? _chem_comp.pdbx_formal_charge 1 _chem_comp.pdbx_initial_date 2017-05-15 _chem_comp.pdbx_modified_date 2018-05-11 _chem_comp.pdbx_ambiguous_flag N _chem_comp.pdbx_release_status REL _chem_comp.pdbx_replaced_by ? _chem_comp.pdbx_replaces ? _chem_comp.formula_weight 957.495 _chem_comp.one_letter_code ? _chem_comp.three_letter_code 9JM _chem_comp.pdbx_model_coordinates_details ? _chem_comp.pdbx_model_coordinates_missing_flag N _chem_comp.pdbx_ideal_coordinates_details Corina _chem_comp.pdbx_ideal_coordinates_missing_flag N _chem_comp.pdbx_model_coordinates_db_code 5VRN _chem_comp.pdbx_subcomponent_list ? _chem_comp.pdbx_processing_site RCSB # loop_ _chem_comp_atom.comp_id _chem_comp_atom.atom_id _chem_comp_atom.alt_atom_id _chem_comp_atom.type_symbol _chem_comp_atom.charge _chem_comp_atom.pdbx_align _chem_comp_atom.pdbx_aromatic_flag _chem_comp_atom.pdbx_leaving_atom_flag _chem_comp_atom.pdbx_stereo_config _chem_comp_atom.model_Cartn_x _chem_comp_atom.model_Cartn_y _chem_comp_atom.model_Cartn_z _chem_comp_atom.pdbx_model_Cartn_x_ideal _chem_comp_atom.pdbx_model_Cartn_y_ideal _chem_comp_atom.pdbx_model_Cartn_z_ideal _chem_comp_atom.pdbx_component_atom_id _chem_comp_atom.pdbx_component_comp_id _chem_comp_atom.pdbx_ordinal 9JM C3 C1 C 0 1 N N N -9.635 43.662 11.464 6.321 -0.642 1.266 C3 9JM 1 9JM C4 C2 C 0 1 Y N N -8.752 44.499 12.350 7.123 -0.134 0.092 C4 9JM 2 9JM C5 C3 C 0 1 Y N N -8.393 43.840 13.447 6.407 -0.476 -1.048 C5 9JM 3 9JM C12 C4 C 0 1 Y N N -7.595 44.414 14.392 6.887 -0.142 -2.295 C12 9JM 4 9JM C13 C5 C 0 1 Y N N -7.164 45.719 14.181 8.087 0.535 -2.413 C13 9JM 5 9JM C14 C6 C 0 1 Y N N -7.552 46.389 13.038 8.806 0.877 -1.276 C14 9JM 6 9JM C17 C7 C 0 1 Y N N -7.413 48.806 13.493 11.121 0.887 -1.043 C17 9JM 7 9JM C18 C8 C 0 1 Y N N -6.844 49.965 13.012 12.345 1.574 -1.015 C18 9JM 8 9JM C19 C9 C 0 1 Y N N -7.087 51.178 13.655 13.507 0.899 -0.650 C19 9JM 9 9JM C20 C10 C 0 1 Y N N -7.894 51.199 14.797 13.447 -0.453 -0.315 C20 9JM 10 9JM C21 C11 C 0 1 Y N N -8.445 50.032 15.281 12.221 -1.127 -0.347 C21 9JM 11 9JM O2A O1 O 0 1 N N N -10.346 41.648 6.337 -6.418 -3.820 -0.831 O2A 9JM 12 9JM PA P1 P 0 1 N N N -8.910 41.163 6.307 -5.614 -2.955 0.263 PA 9JM 13 9JM O1A O2 O 0 1 N N N -8.117 41.173 4.989 -5.371 -3.783 1.466 O1A 9JM 14 9JM O5B O3 O 0 1 N N N -8.940 39.672 6.857 -6.482 -1.661 0.669 O5B 9JM 15 9JM C5B C12 C 0 1 N N N -10.092 39.215 7.645 -7.740 -1.748 1.342 C5B 9JM 16 9JM C4B C13 C 0 1 N N R -10.576 37.833 7.233 -8.292 -0.340 1.574 C4B 9JM 17 9JM O4B O4 O 0 1 N N N -11.606 37.306 8.159 -8.615 0.272 0.314 O4B 9JM 18 9JM C1B C14 C 0 1 N N R -12.407 36.480 7.338 -9.772 1.107 0.536 C1B 9JM 19 9JM N9A N1 N 0 1 Y N N -13.712 36.053 7.895 -10.473 1.362 -0.726 N9A 9JM 20 9JM C8A C15 C 0 1 Y N N -14.736 36.831 8.304 -10.427 0.586 -1.845 C8A 9JM 21 9JM N7A N2 N 0 1 Y N N -15.778 36.045 8.734 -11.168 1.109 -2.779 N7A 9JM 22 9JM C5A C16 C 0 1 Y N N -15.408 34.767 8.584 -11.734 2.250 -2.319 C5A 9JM 23 9JM C6A C17 C 0 1 Y N N -16.027 33.461 8.841 -12.603 3.211 -2.864 C6A 9JM 24 9JM N6A N3 N 0 1 N N N -17.397 33.388 9.402 -13.069 3.090 -4.161 N6A 9JM 25 9JM N1A N4 N 0 1 Y N N -15.319 32.313 8.556 -12.967 4.239 -2.103 N1A 9JM 26 9JM C2A C18 C 0 1 Y N N -14.066 32.377 8.041 -12.528 4.362 -0.864 C2A 9JM 27 9JM N3A N5 N 0 1 Y N N -13.446 33.571 7.789 -11.713 3.487 -0.313 N3A 9JM 28 9JM C4A C19 C 0 1 Y N N -14.071 34.771 8.040 -11.299 2.424 -0.994 C4A 9JM 29 9JM C2B C20 C 0 1 N N R -12.577 37.330 6.071 -10.654 0.258 1.487 C2B 9JM 30 9JM O2B O5 O 0 1 N N N -13.069 36.630 4.934 -11.526 1.091 2.253 O2B 9JM 31 9JM C3B C21 C 0 1 N N S -11.206 37.880 5.864 -9.596 -0.417 2.393 C3B 9JM 32 9JM O3B O6 O 0 1 N N N -10.457 37.121 4.961 -9.458 0.300 3.621 O3B 9JM 33 9JM O3 O7 O 0 1 N N N -8.214 42.080 7.422 -4.205 -2.482 -0.356 O3 9JM 34 9JM PN P2 P 0 1 N N N -6.962 41.726 8.336 -2.810 -3.227 -0.660 PN 9JM 35 9JM O1N O8 O 0 1 N N N -6.663 43.029 9.088 -2.931 -4.051 -2.038 O1N 9JM 36 9JM O2N O9 O 0 1 N N N -5.912 41.106 7.480 -2.498 -4.159 0.447 O2N 9JM 37 9JM O5D O10 O 0 1 N N N -7.549 40.627 9.376 -1.635 -2.135 -0.789 O5D 9JM 38 9JM C5D C22 C 0 1 N N N -6.798 39.399 9.619 -0.260 -2.487 -0.953 C5D 9JM 39 9JM C4D C23 C 0 1 N N R -6.470 39.187 11.108 0.585 -1.214 -1.042 C4D 9JM 40 9JM O4D O11 O 0 1 N N N -5.325 40.032 11.558 0.554 -0.518 0.215 O4D 9JM 41 9JM C3D C24 C 0 1 N N S -7.671 39.573 11.978 2.055 -1.580 -1.327 C3D 9JM 42 9JM O3D O12 O 0 1 N N N -7.791 38.658 13.081 2.487 -0.994 -2.556 O3D 9JM 43 9JM C2D C25 C 0 1 N N R -7.310 40.937 12.441 2.835 -0.974 -0.134 C2D 9JM 44 9JM O2D O13 O 0 1 N N N -8.047 41.364 13.564 4.055 -0.375 -0.575 O2D 9JM 45 9JM C1D C26 C 0 1 N N R -5.793 40.779 12.697 1.847 0.101 0.387 C1D 9JM 46 9JM N1N N6 N 1 1 Y N N -5.166 42.106 12.914 2.098 0.390 1.801 N1N 9JM 47 9JM C2N C27 C 0 1 Y N N -5.241 43.089 11.981 2.706 1.511 2.127 C2N 9JM 48 9JM C6N C28 C 0 1 Y N N -4.499 42.299 14.197 1.702 -0.479 2.712 C6N 9JM 49 9JM C5N C29 C 0 1 Y N N -3.934 43.609 14.359 1.917 -0.248 4.059 C5N 9JM 50 9JM C4N C30 C 0 1 Y N N -4.016 44.568 13.393 2.558 0.913 4.454 C4N 9JM 51 9JM C3N C31 C 0 1 Y N N -4.659 44.324 12.205 2.961 1.817 3.464 C3N 9JM 52 9JM C7N C32 C 0 1 N N N -4.728 45.418 11.186 3.645 3.076 3.830 C7N 9JM 53 9JM O7N O14 O 0 1 N N N -4.534 46.552 11.533 3.990 3.854 2.962 O7N 9JM 54 9JM N7N N7 N 0 1 N N N -5.030 45.128 9.848 3.885 3.361 5.125 N7N 9JM 55 9JM B1 B1 B 0 1 N N N -8.984 42.446 13.461 5.129 -1.219 -0.552 B1 9JM 56 9JM O2 O15 O 0 1 N N N -9.781 42.457 12.269 5.397 -1.610 0.741 O2 9JM 57 9JM C15 C33 C 0 1 Y N N -8.350 45.770 12.109 8.318 0.540 -0.020 C15 9JM 58 9JM C22 C34 C 0 1 Y N N -8.206 48.834 14.626 11.072 -0.459 -0.707 C22 9JM 59 9JM C23 C35 C 0 1 N N N -8.138 52.278 15.424 14.639 -1.151 0.060 C23 9JM 60 9JM O1 O16 O 0 1 N N N -9.925 42.320 14.693 4.888 -2.314 -1.335 O1 9JM 61 9JM C1 C36 C 0 1 N N N -6.021 49.862 11.776 12.399 3.004 -1.372 C1 9JM 62 9JM N2 N8 N 0 1 N N N -5.565 50.862 11.215 11.318 3.628 -1.711 N2 9JM 63 9JM O6 O17 O 0 1 N N N -4.813 50.708 10.035 11.370 5.001 -2.053 O6 9JM 64 9JM N7 N9 N 0 1 N N N -8.236 53.278 16.020 15.585 -1.706 0.358 N7 9JM 65 9JM O4 O18 O 0 1 N N N -7.133 47.650 12.790 9.985 1.541 -1.392 O4 9JM 66 9JM H1 H1 H 0 1 N N N -9.151 43.447 10.500 6.982 -1.112 1.994 H1 9JM 67 9JM H2 H2 H 0 1 N N N -10.605 44.148 11.287 5.778 0.180 1.731 H2 9JM 68 9JM H3 H3 H 0 1 N N N -7.306 43.870 15.279 6.327 -0.410 -3.179 H3 9JM 69 9JM H4 H4 H 0 1 N N N -6.529 46.206 14.907 8.465 0.798 -3.390 H4 9JM 70 9JM H5 H5 H 0 1 N N N -6.656 52.093 13.275 14.452 1.422 -0.628 H5 9JM 71 9JM H6 H6 H 0 1 N N N -9.061 50.051 16.168 12.176 -2.174 -0.087 H6 9JM 72 9JM H7 H7 H 0 1 N N N -10.606 41.923 5.466 -6.612 -3.339 -1.647 H7 9JM 73 9JM H8 H8 H 0 1 N N N -9.803 39.184 8.706 -8.441 -2.317 0.730 H8 9JM 74 9JM H9 H9 H 0 1 N N N -10.916 39.931 7.510 -7.606 -2.249 2.300 H9 9JM 75 9JM H10 H10 H 0 1 N N N -9.717 37.146 7.211 -7.555 0.264 2.102 H10 9JM 76 9JM H11 H11 H 0 1 N N N -11.837 35.580 7.063 -9.484 2.045 1.010 H11 9JM 77 9JM H12 H12 H 0 1 N N N -14.737 37.911 8.295 -9.860 -0.328 -1.943 H12 9JM 78 9JM H13 H13 H 0 1 N N N -17.661 32.430 9.514 -12.796 2.336 -4.706 H13 9JM 79 9JM H14 H14 H 0 1 N N N -17.418 33.846 10.291 -13.668 3.760 -4.525 H14 9JM 80 9JM H15 H15 H 0 1 N N N -13.542 31.458 7.823 -12.849 5.213 -0.281 H15 9JM 81 9JM H16 H16 H 0 1 N N N -13.255 38.163 6.310 -11.221 -0.488 0.930 H16 9JM 82 9JM H17 H17 H 0 1 N N N -13.941 36.301 5.117 -12.097 0.605 2.864 H17 9JM 83 9JM H18 H18 H 0 1 N N N -11.276 38.926 5.532 -9.865 -1.456 2.585 H18 9JM 84 9JM H19 H19 H 0 1 N N N -9.595 37.507 4.861 -10.267 0.333 4.150 H19 9JM 85 9JM H20 H20 H 0 1 N N N -5.773 43.305 8.902 -3.134 -3.503 -2.807 H20 9JM 86 9JM H21 H21 H 0 1 N N N -7.395 38.546 9.265 0.068 -3.081 -0.101 H21 9JM 87 9JM H22 H22 H 0 1 N N N -5.855 39.446 9.054 -0.140 -3.067 -1.868 H22 9JM 88 9JM H23 H23 H 0 1 N N N -6.233 38.126 11.274 0.202 -0.569 -1.832 H23 9JM 89 9JM H24 H24 H 0 1 N N N -8.588 39.596 11.370 2.180 -2.662 -1.354 H24 9JM 90 9JM H25 H25 H 0 1 N N N -8.537 38.903 13.616 1.992 -1.295 -3.331 H25 9JM 91 9JM H26 H26 H 0 1 N N N -7.446 41.645 11.610 3.027 -1.728 0.629 H26 9JM 92 9JM H27 H27 H 0 1 N N N -5.664 40.174 13.607 1.919 1.010 -0.210 H27 9JM 93 9JM H28 H28 H 0 1 N N N -5.761 42.905 11.053 3.012 2.199 1.353 H28 9JM 94 9JM H29 H29 H 0 1 N N N -4.436 41.530 14.953 1.202 -1.384 2.401 H29 9JM 95 9JM H30 H30 H 0 1 N N N -3.424 43.844 15.282 1.588 -0.967 4.795 H30 9JM 96 9JM H31 H31 H 0 1 N N N -3.568 45.535 13.565 2.738 1.118 5.499 H31 9JM 97 9JM H32 H32 H 0 1 N N N -5.085 45.867 9.176 4.334 4.187 5.365 H32 9JM 98 9JM H33 H33 H 0 1 N N N -5.190 44.182 9.565 3.609 2.740 5.817 H33 9JM 99 9JM H34 H34 H 0 1 N N N -8.650 46.284 11.208 8.875 0.805 0.867 H34 9JM 100 9JM H35 H35 H 0 1 N N N -8.640 47.919 15.002 10.129 -0.985 -0.730 H35 9JM 101 9JM H36 H36 H 0 1 N N N -9.406 42.312 15.489 4.104 -2.818 -1.076 H36 9JM 102 9JM H37 H37 H 0 1 N N N -5.818 48.887 11.359 13.342 3.530 -1.350 H37 9JM 103 9JM H38 H38 H 0 1 N N N -4.533 51.561 9.724 10.514 5.380 -2.292 H38 9JM 104 # loop_ _chem_comp_bond.comp_id _chem_comp_bond.atom_id_1 _chem_comp_bond.atom_id_2 _chem_comp_bond.value_order _chem_comp_bond.pdbx_aromatic_flag _chem_comp_bond.pdbx_stereo_config _chem_comp_bond.pdbx_ordinal 9JM O2B C2B SING N N 1 9JM O3B C3B SING N N 2 9JM O1A PA DOUB N N 3 9JM C3B C2B SING N N 4 9JM C3B C4B SING N N 5 9JM C2B C1B SING N N 6 9JM PA O2A SING N N 7 9JM PA O5B SING N N 8 9JM PA O3 SING N N 9 9JM O5B C5B SING N N 10 9JM C4B C5B SING N N 11 9JM C4B O4B SING N N 12 9JM C1B N9A SING N N 13 9JM C1B O4B SING N N 14 9JM O3 PN SING N N 15 9JM O2N PN DOUB N N 16 9JM N3A C4A DOUB Y N 17 9JM N3A C2A SING Y N 18 9JM N9A C4A SING Y N 19 9JM N9A C8A SING Y N 20 9JM C4A C5A SING Y N 21 9JM C2A N1A DOUB Y N 22 9JM C8A N7A DOUB Y N 23 9JM PN O1N SING N N 24 9JM PN O5D SING N N 25 9JM N1A C6A SING Y N 26 9JM C5A N7A SING Y N 27 9JM C5A C6A DOUB Y N 28 9JM C6A N6A SING N N 29 9JM O5D C5D SING N N 30 9JM C5D C4D SING N N 31 9JM N7N C7N SING N N 32 9JM O6 N2 SING N N 33 9JM C4D O4D SING N N 34 9JM C4D C3D SING N N 35 9JM C7N O7N DOUB N N 36 9JM C7N C3N SING N N 37 9JM N2 C1 DOUB N E 38 9JM C3 O2 SING N N 39 9JM C3 C4 SING N N 40 9JM O4D C1D SING N N 41 9JM C1 C18 SING N N 42 9JM C3D C2D SING N N 43 9JM C3D O3D SING N N 44 9JM C2N C3N DOUB Y N 45 9JM C2N N1N SING Y N 46 9JM C15 C4 DOUB Y N 47 9JM C15 C14 SING Y N 48 9JM C3N C4N SING Y N 49 9JM O2 B1 SING N N 50 9JM C4 C5 SING Y N 51 9JM C2D C1D SING N N 52 9JM C2D O2D SING N N 53 9JM C1D N1N SING N N 54 9JM O4 C14 SING N N 55 9JM O4 C17 SING N N 56 9JM N1N C6N DOUB Y N 57 9JM C18 C17 DOUB Y N 58 9JM C18 C19 SING Y N 59 9JM C14 C13 DOUB Y N 60 9JM C4N C5N DOUB Y N 61 9JM C5 B1 SING N N 62 9JM C5 C12 DOUB Y N 63 9JM B1 O2D SING N N 64 9JM B1 O1 SING N N 65 9JM C17 C22 SING Y N 66 9JM C19 C20 DOUB Y N 67 9JM C13 C12 SING Y N 68 9JM C6N C5N SING Y N 69 9JM C22 C21 DOUB Y N 70 9JM C20 C21 SING Y N 71 9JM C20 C23 SING N N 72 9JM C23 N7 TRIP N N 73 9JM C3 H1 SING N N 74 9JM C3 H2 SING N N 75 9JM C12 H3 SING N N 76 9JM C13 H4 SING N N 77 9JM C19 H5 SING N N 78 9JM C21 H6 SING N N 79 9JM O2A H7 SING N N 80 9JM C5B H8 SING N N 81 9JM C5B H9 SING N N 82 9JM C4B H10 SING N N 83 9JM C1B H11 SING N N 84 9JM C8A H12 SING N N 85 9JM N6A H13 SING N N 86 9JM N6A H14 SING N N 87 9JM C2A H15 SING N N 88 9JM C2B H16 SING N N 89 9JM O2B H17 SING N N 90 9JM C3B H18 SING N N 91 9JM O3B H19 SING N N 92 9JM O1N H20 SING N N 93 9JM C5D H21 SING N N 94 9JM C5D H22 SING N N 95 9JM C4D H23 SING N N 96 9JM C3D H24 SING N N 97 9JM O3D H25 SING N N 98 9JM C2D H26 SING N N 99 9JM C1D H27 SING N N 100 9JM C2N H28 SING N N 101 9JM C6N H29 SING N N 102 9JM C5N H30 SING N N 103 9JM C4N H31 SING N N 104 9JM N7N H32 SING N N 105 9JM N7N H33 SING N N 106 9JM C15 H34 SING N N 107 9JM C22 H35 SING N N 108 9JM O1 H36 SING N N 109 9JM C1 H37 SING N N 110 9JM O6 H38 SING N N 111 # loop_ _pdbx_chem_comp_descriptor.comp_id _pdbx_chem_comp_descriptor.type _pdbx_chem_comp_descriptor.program _pdbx_chem_comp_descriptor.program_version _pdbx_chem_comp_descriptor.descriptor 9JM InChI InChI 1.03 ;InChI=1S/C36H37BN9O18P2/c38-10-18-3-6-24(20(8-18)11-44-52)60-22-4-5-23-21(9-22)13-57-37(23,51)63-31-29(48)26(62-36(31)45-7-1-2-19(12-45)33(40)50)15-59-66(55,56)64-65(53,54)58-14-25-28(47)30(49)35(61-25)46-17-43-27-32(39)41-16-42-34(27)46/h1-9,11-12,16-17,25-26,28-31,35-36,47-49,51H,13-15H2,(H6-,39,40,41,42,50,52,53,54,55,56)/p+1/b44-11+/t25-,26-,28-,29-,30-,31-,35-,36-/m1/s1 ; 9JM InChIKey InChI 1.03 FIJWIPIHKAAZRO-KPRSXZNCSA-O 9JM SMILES_CANONICAL CACTVS 3.385 "NC(=O)c1ccc[n+](c1)[C@@H]2O[C@H](CO[P](O)(=O)O[P](O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n4cnc5c(N)ncnc45)[C@@H](O)[C@H]2O[B]6(O)OCc7cc(Oc8ccc(cc8/C=N/O)C#N)ccc67" 9JM SMILES CACTVS 3.385 "NC(=O)c1ccc[n+](c1)[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O[B]6(O)OCc7cc(Oc8ccc(cc8C=NO)C#N)ccc67" 9JM SMILES_CANONICAL "OpenEye OEToolkits" 2.0.6 "B1(c2ccc(cc2CO1)Oc3ccc(cc3/C=N/O)C#N)(O)O[C@@H]4[C@@H]([C@H](O[C@H]4[n+]5cccc(c5)C(=O)N)COP(=O)(O)OP(=O)(O)OC[C@@H]6[C@H]([C@H]([C@@H](O6)n7cnc8c7ncnc8N)O)O)O" 9JM SMILES "OpenEye OEToolkits" 2.0.6 "B1(c2ccc(cc2CO1)Oc3ccc(cc3C=NO)C#N)(O)OC4C(C(OC4[n+]5cccc(c5)C(=O)N)COP(=O)(O)OP(=O)(O)OCC6C(C(C(O6)n7cnc8c7ncnc8N)O)O)O" # loop_ _pdbx_chem_comp_identifier.comp_id _pdbx_chem_comp_identifier.type _pdbx_chem_comp_identifier.program _pdbx_chem_comp_identifier.program_version _pdbx_chem_comp_identifier.identifier 9JM "SYSTEMATIC NAME" "OpenEye OEToolkits" 2.0.6 ;[[(2~{R},3~{S},4~{R},5~{R})-5-(3-aminocarbonylpyridin-1-ium-1-yl)-4-[[5-[4-cyano-2-[(~{E})-hydroxyiminomethyl]phenoxy]-1-oxidanyl-3~{H}-2,1$l^{4}-benzoxaborol-1-yl]oxy]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate ; # loop_ _pdbx_chem_comp_audit.comp_id _pdbx_chem_comp_audit.action_type _pdbx_chem_comp_audit.date _pdbx_chem_comp_audit.processing_site 9JM "Create component" 2017-05-15 RCSB 9JM "Initial release" 2018-05-16 RCSB #