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Add batch 133

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  1. 1amk/1amk_ligand.mol2 +37 -0
  2. 1amk/1amk_ligand.sdf +33 -0
  3. 1amk/1amk_protein_esmfold_aligned_tr_fix.pdb +0 -0
  4. 1amk/1amk_protein_processed_fix.pdb +0 -0
  5. 1bhx/1bhx_ligand.mol2 +138 -0
  6. 1bhx/1bhx_ligand.sdf +126 -0
  7. 1bhx/1bhx_protein_esmfold_aligned_tr_fix.pdb +0 -0
  8. 1bhx/1bhx_protein_processed_fix.pdb +0 -0
  9. 1e5j/1e5j_ligand.mol2 +199 -0
  10. 1e5j/1e5j_ligand.sdf +189 -0
  11. 1e5j/1e5j_protein_esmfold_aligned_tr_fix.pdb +0 -0
  12. 1e5j/1e5j_protein_processed_fix.pdb +0 -0
  13. 1fo0/1fo0_ligand.mol2 +287 -0
  14. 1fo0/1fo0_ligand.sdf +281 -0
  15. 1fo0/1fo0_protein_esmfold_aligned_tr_fix.pdb +0 -0
  16. 1fo0/1fo0_protein_processed_fix.pdb +0 -0
  17. 1w12/1w12_ligand.mol2 +173 -0
  18. 1w12/1w12_ligand.sdf +161 -0
  19. 1w12/1w12_protein_esmfold_aligned_tr_fix.pdb +0 -0
  20. 1w12/1w12_protein_processed_fix.pdb +0 -0
  21. 1we2/1we2_ligand.mol2 +58 -0
  22. 1we2/1we2_ligand.sdf +50 -0
  23. 1we2/1we2_protein_esmfold_aligned_tr_fix.pdb +0 -0
  24. 1we2/1we2_protein_processed_fix.pdb +0 -0
  25. 1wn6/1wn6_ligand.mol2 +139 -0
  26. 1wn6/1wn6_ligand.sdf +129 -0
  27. 1wn6/1wn6_protein_esmfold_aligned_tr_fix.pdb +0 -0
  28. 1wn6/1wn6_protein_processed_fix.pdb +0 -0
  29. 1xxe/1xxe_ligand.mol2 +158 -0
  30. 1xxe/1xxe_ligand.sdf +148 -0
  31. 1xxe/1xxe_protein_esmfold_aligned_tr_fix.pdb +0 -0
  32. 1xxe/1xxe_protein_processed_fix.pdb +0 -0
  33. 1yt7/1yt7_ligand.mol2 +164 -0
  34. 1yt7/1yt7_ligand.sdf +154 -0
  35. 1yt7/1yt7_protein_esmfold_aligned_tr_fix.pdb +0 -0
  36. 1yt7/1yt7_protein_processed_fix.pdb +0 -0
  37. 1z6e/1z6e_ligand.mol2 +138 -0
  38. 1z6e/1z6e_ligand.sdf +128 -0
  39. 1z6e/1z6e_protein_esmfold_aligned_tr_fix.pdb +0 -0
  40. 1z6e/1z6e_protein_processed_fix.pdb +0 -0
  41. 2ao6/2ao6_ligand.mol2 +109 -0
  42. 2ao6/2ao6_ligand.sdf +99 -0
  43. 2ao6/2ao6_protein_esmfold_aligned_tr_fix.pdb +0 -0
  44. 2ao6/2ao6_protein_processed_fix.pdb +0 -0
  45. 2gnf/2gnf_protein_esmfold_aligned_tr_fix.pdb +0 -0
  46. 2gnf/2gnf_protein_processed_fix.pdb +0 -0
  47. 2pax/2pax_ligand.mol2 +66 -0
  48. 2pax/2pax_ligand.sdf +56 -0
  49. 2pax/2pax_protein_esmfold_aligned_tr_fix.pdb +0 -0
  50. 2pax/2pax_protein_processed_fix.pdb +0 -0
1amk/1amk_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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+
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+ @<TRIPOS>MOLECULE
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+ SMALL
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+ 8 7 9 ar
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+ @<TRIPOS>SUBSTRUCTURE
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+ 1 PGA 1
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+
1amk/1amk_ligand.sdf ADDED
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+ 1amk_ligand
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+ -I-interpret-
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+ M END
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+ $$$$
1amk/1amk_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1amk/1amk_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1bhx/1bhx_ligand.mol2 ADDED
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+ ###
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+ ### Created by X-TOOL on Mon Sep 10 21:12:46 2018
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+ ###
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+
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+ @<TRIPOS>MOLECULE
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+ 1bhx_ligand
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+ @<TRIPOS>ATOM
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1bhx/1bhx_ligand.sdf ADDED
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+ $$$$
1bhx/1bhx_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1bhx/1bhx_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1e5j/1e5j_ligand.mol2 ADDED
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The diff for this file is too large to render. See raw diff
 
1fo0/1fo0_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1w12/1w12_ligand.mol2 ADDED
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The diff for this file is too large to render. See raw diff
 
1z6e/1z6e_protein_processed_fix.pdb ADDED
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2ao6/2ao6_ligand.mol2 ADDED
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+ ###
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2ao6/2ao6_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
2ao6/2ao6_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
2gnf/2gnf_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
2gnf/2gnf_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
2pax/2pax_ligand.mol2 ADDED
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1
+ ###
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3
+ ###
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5
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2pax/2pax_ligand.sdf ADDED
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25
+ 39.7516 21.2913 24.4135 H 0 0 0 0 0
26
+ 42.0938 21.7671 25.0880 H 0 0 0 0 0
27
+ 43.6635 22.8689 23.5111 H 0 0 0 0 0
28
+ 43.3440 24.5512 19.1000 H 0 0 0 0 0
29
+ 1 2 2 0 0 0
30
+ 3 1 1 0 0 0
31
+ 1 14 1 0 0 0
32
+ 4 3 4 0 0 0
33
+ 3 15 4 0 0 0
34
+ 5 4 4 0 0 0
35
+ 6 5 4 0 0 0
36
+ 6 7 1 0 0 0
37
+ 16 6 4 0 0 0
38
+ 8 9 4 0 0 0
39
+ 16 8 4 0 0 0
40
+ 9 10 4 0 0 0
41
+ 10 11 4 0 0 0
42
+ 11 12 1 0 0 0
43
+ 11 15 4 0 0 0
44
+ 12 13 2 0 0 0
45
+ 12 14 1 0 0 0
46
+ 15 16 4 0 0 0
47
+ 4 17 1 0 0 0
48
+ 5 18 1 0 0 0
49
+ 7 19 1 0 0 0
50
+ 7 20 1 0 0 0
51
+ 8 21 1 0 0 0
52
+ 9 22 1 0 0 0
53
+ 10 23 1 0 0 0
54
+ 14 24 1 0 0 0
55
+ M END
56
+ $$$$
2pax/2pax_protein_esmfold_aligned_tr_fix.pdb ADDED
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2pax/2pax_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff