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Add batch 143

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  1. 1b55/1b55_ligand.mol2 +88 -0
  2. 1b55/1b55_ligand.sdf +94 -0
  3. 1b55/1b55_protein_esmfold_aligned_tr_fix.pdb +0 -0
  4. 1b55/1b55_protein_processed_fix.pdb +0 -0
  5. 1elc/1elc_ligand.mol2 +157 -0
  6. 1elc/1elc_ligand.sdf +147 -0
  7. 1elc/1elc_protein_esmfold_aligned_tr_fix.pdb +0 -0
  8. 1elc/1elc_protein_processed_fix.pdb +0 -0
  9. 1fvv/1fvv_ligand.mol2 +112 -0
  10. 1fvv/1fvv_ligand.sdf +102 -0
  11. 1fvv/1fvv_protein_esmfold_aligned_tr_fix.pdb +0 -0
  12. 1fvv/1fvv_protein_processed_fix.pdb +0 -0
  13. 1fwe/1fwe_ligand.mol2 +35 -0
  14. 1fwe/1fwe_ligand.sdf +25 -0
  15. 1fwe/1fwe_protein_esmfold_aligned_tr_fix.pdb +0 -0
  16. 1fwe/1fwe_protein_processed_fix.pdb +0 -0
  17. 1gni/1gni_ligand.mol2 +121 -0
  18. 1gni/1gni_ligand.sdf +113 -0
  19. 1gni/1gni_protein_esmfold_aligned_tr_fix.pdb +0 -0
  20. 1gni/1gni_protein_processed_fix.pdb +0 -0
  21. 1k1j/1k1j_ligand.mol2 +155 -0
  22. 1k1j/1k1j_ligand.sdf +143 -0
  23. 1k1j/1k1j_protein_esmfold_aligned_tr_fix.pdb +0 -0
  24. 1k1j/1k1j_protein_processed_fix.pdb +0 -0
  25. 1r6n/1r6n_ligand.mol2 +139 -0
  26. 1r6n/1r6n_ligand.sdf +131 -0
  27. 1r6n/1r6n_protein_esmfold_aligned_tr_fix.pdb +0 -0
  28. 1r6n/1r6n_protein_processed_fix.pdb +0 -0
  29. 1rst/1rst_ligand.mol2 +306 -0
  30. 1rst/1rst_ligand.sdf +292 -0
  31. 1rst/1rst_protein_esmfold_aligned_tr_fix.pdb +0 -0
  32. 1rst/1rst_protein_processed_fix.pdb +0 -0
  33. 1u71/1u71_ligand.mol2 +104 -0
  34. 1u71/1u71_ligand.sdf +94 -0
  35. 1u71/1u71_protein_esmfold_aligned_tr_fix.pdb +0 -0
  36. 1u71/1u71_protein_processed_fix.pdb +0 -0
  37. 1yyy/1yyy_ligand.mol2 +135 -0
  38. 1yyy/1yyy_ligand.sdf +121 -0
  39. 1yyy/1yyy_protein_esmfold_aligned_tr_fix.pdb +0 -0
  40. 1yyy/1yyy_protein_processed_fix.pdb +0 -0
  41. 2ael/2ael_ligand.mol2 +98 -0
  42. 2ael/2ael_ligand.sdf +88 -0
  43. 2ael/2ael_protein_esmfold_aligned_tr_fix.pdb +0 -0
  44. 2ael/2ael_protein_processed_fix.pdb +0 -0
  45. 2boi/2boi_protein_esmfold_aligned_tr_fix.pdb +0 -0
  46. 2boi/2boi_protein_processed_fix.pdb +0 -0
  47. 2ohk/2ohk_ligand.mol2 +55 -0
  48. 2ohk/2ohk_ligand.sdf +45 -0
  49. 2ohk/2ohk_protein_esmfold_aligned_tr_fix.pdb +0 -0
  50. 2ohk/2ohk_protein_processed_fix.pdb +0 -0
1b55/1b55_ligand.mol2 ADDED
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+ ###
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+ ### Created by X-TOOL on Mon Sep 10 21:12:47 2018
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1b55/1b55_ligand.sdf ADDED
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+ $$$$
1b55/1b55_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1b55/1b55_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1elc/1elc_ligand.mol2 ADDED
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+ ###
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+ ### Created by X-TOOL on Mon Sep 10 21:12:45 2018
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+ ###
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+ @<TRIPOS>MOLECULE
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The diff for this file is too large to render. See raw diff
 
1elc/1elc_protein_processed_fix.pdb ADDED
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1fvv/1fvv_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1fvv/1fvv_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1fwe/1fwe_ligand.mol2 ADDED
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+ $$$$
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The diff for this file is too large to render. See raw diff
 
1fwe/1fwe_protein_processed_fix.pdb ADDED
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1gni/1gni_ligand.mol2 ADDED
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1
+ ###
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+ ### Created by X-TOOL on Mon Sep 10 21:12:49 2018
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+ ###
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+ $$$$
1gni/1gni_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1gni/1gni_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1k1j/1k1j_ligand.mol2 ADDED
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1
+ ###
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1r6n/1r6n_ligand.mol2 ADDED
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1r6n/1r6n_protein_processed_fix.pdb ADDED
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1
+ ###
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+ ### Created by X-TOOL on Mon Sep 10 21:12:45 2018
3
+ ###
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+
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+ @<TRIPOS>MOLECULE
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+ 1rst_ligand
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+ 143 147 1 0 0
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+ SMALL
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+
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+
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+ @<TRIPOS>ATOM
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1rst/1rst_ligand.sdf ADDED
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1rst/1rst_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1rst/1rst_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1u71/1u71_ligand.mol2 ADDED
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+ $$$$
1u71/1u71_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1u71/1u71_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1yyy/1yyy_ligand.mol2 ADDED
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1
+ ###
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+ ###
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+ 13 37 1 0 0 0
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+ 13 38 1 0 0 0
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+ 15 39 1 0 0 0
85
+ 15 40 1 0 0 0
86
+ 15 41 1 0 0 0
87
+ M END
88
+ $$$$
2ael/2ael_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
2ael/2ael_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
2boi/2boi_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
2boi/2boi_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
2ohk/2ohk_ligand.mol2 ADDED
@@ -0,0 +1,55 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ###
2
+ ### Created by X-TOOL on Mon Sep 10 21:12:56 2018
3
+ ###
4
+
5
+ @<TRIPOS>MOLECULE
6
+ 2ohk_ligand
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+ 19 20 1 0 0
8
+ SMALL
9
+ GAST_HUCK
10
+
11
+
12
+ @<TRIPOS>ATOM
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+ 1 N1 66.6510 49.0460 6.1240 N.pl3 1 1SQ -0.3155
14
+ 2 C2 67.4210 49.0870 7.2440 C.ar 1 1SQ 0.1223
15
+ 3 N3 67.8830 50.2920 7.6400 N.ar 1 1SQ -0.2916
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+ 4 C4 68.6510 50.3330 8.7350 C.ar 1 1SQ -0.0144
17
+ 5 C5 68.9550 49.2220 9.4970 C.ar 1 1SQ -0.0498
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+ 6 C6 68.4550 47.9810 9.1330 C.ar 1 1SQ -0.0142
19
+ 7 C7 68.7150 46.8260 9.8620 C.ar 1 1SQ -0.0523
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+ 8 C8 68.1960 45.6130 9.4540 C.ar 1 1SQ -0.0593
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+ 9 C9 67.4250 45.5400 8.3140 C.ar 1 1SQ -0.0583
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+ 10 C10 67.1560 46.6740 7.5840 C.ar 1 1SQ -0.0462
23
+ 11 C11 67.6570 47.9060 7.9780 C.ar 1 1SQ 0.0336
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+ 12 H1 66.2785 48.1465 5.7878 H 1 1SQ 0.1821
25
+ 13 H2 66.4403 49.9144 5.6118 H 1 1SQ 0.1821
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+ 14 H3 69.0567 51.2906 9.0407 H 1 1SQ 0.0720
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+ 15 H4 69.5819 49.3198 10.3760 H 1 1SQ 0.0557
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+ 16 H5 69.3278 46.8778 10.7546 H 1 1SQ 0.0616
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+ 17 H6 68.3953 44.7173 10.0311 H 1 1SQ 0.0647
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+ 18 H7 67.0287 44.5841 7.9912 H 1 1SQ 0.0611
31
+ 19 H8 66.5457 46.6043 6.6908 H 1 1SQ 0.0663
32
+ @<TRIPOS>BOND
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+ 1 1 2 1
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+ 2 2 3 ar
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+ 3 2 11 ar
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+ 4 3 4 ar
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+ 5 4 5 ar
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+ 15 4 14 1
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+ 16 5 15 1
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+ 17 7 16 1
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+ 18 8 17 1
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+ 19 9 18 1
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+ 20 10 19 1
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+ @<TRIPOS>SUBSTRUCTURE
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+ 1 1SQ 1
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+
2ohk/2ohk_ligand.sdf ADDED
@@ -0,0 +1,45 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ 2ohk_ligand
2
+ -I-interpret-
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+
4
+ 19 20 0 0 0 0 0 0 0 0999 V2000
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+ 66.6510 49.0460 6.1240 N 0 0 0 0 0
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+ 67.4210 49.0870 7.2440 C 0 0 0 0 0
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+ 67.8830 50.2920 7.6400 N 0 0 0 0 0
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+ 68.6510 50.3330 8.7350 C 0 0 0 0 0
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+ 68.9550 49.2220 9.4970 C 0 0 0 0 0
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+ 68.4550 47.9810 9.1330 C 0 0 0 0 0
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+ 68.7150 46.8260 9.8620 C 0 0 0 0 0
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+ 68.1960 45.6130 9.4540 C 0 0 0 0 0
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+ 67.4250 45.5400 8.3140 C 0 0 0 0 0
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+ 67.1560 46.6740 7.5840 C 0 0 0 0 0
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+ 67.6570 47.9060 7.9780 C 0 0 0 0 0
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+ 66.4423 49.9060 5.6168 H 0 0 0 0 0
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+ 66.2821 48.1552 5.7911 H 0 0 0 0 0
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+ 69.0590 51.2959 9.0424 H 0 0 0 0 0
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+ 69.5853 49.3203 10.3808 H 0 0 0 0 0
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+ 69.3312 46.8781 10.7596 H 0 0 0 0 0
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+ 68.3964 44.7123 10.0343 H 0 0 0 0 0
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+ 67.0265 44.5788 7.9894 H 0 0 0 0 0
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+ 66.5423 46.6039 6.6859 H 0 0 0 0 0
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+ 9 18 1 0 0 0
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+ 10 19 1 0 0 0
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+ M END
45
+ $$$$
2ohk/2ohk_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
2ohk/2ohk_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff