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Add batch 105

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  1. 1ai7/1ai7_ligand.mol2 +42 -0
  2. 1ai7/1ai7_ligand.sdf +32 -0
  3. 1ai7/1ai7_protein_esmfold_aligned_tr_fix.pdb +0 -0
  4. 1ai7/1ai7_protein_processed_fix.pdb +0 -0
  5. 1ao0/1ao0_protein_esmfold_aligned_tr_fix.pdb +0 -0
  6. 1ao0/1ao0_protein_processed_fix.pdb +0 -0
  7. 1fd0/1fd0_ligand.mol2 +131 -0
  8. 1fd0/1fd0_ligand.sdf +123 -0
  9. 1fd0/1fd0_protein_esmfold_aligned_tr_fix.pdb +0 -0
  10. 1fd0/1fd0_protein_processed_fix.pdb +0 -0
  11. 1gj8/1gj8_ligand.mol2 +108 -0
  12. 1gj8/1gj8_ligand.sdf +94 -0
  13. 1gj8/1gj8_protein_esmfold_aligned_tr_fix.pdb +0 -0
  14. 1gj8/1gj8_protein_processed_fix.pdb +0 -0
  15. 1i32/1i32_ligand.mol2 +165 -0
  16. 1i32/1i32_ligand.sdf +155 -0
  17. 1i32/1i32_protein_esmfold_aligned_tr_fix.pdb +0 -0
  18. 1i32/1i32_protein_processed_fix.pdb +0 -0
  19. 1i33/1i33_ligand.mol2 +167 -0
  20. 1i33/1i33_ligand.sdf +157 -0
  21. 1i33/1i33_protein_esmfold_aligned_tr_fix.pdb +0 -0
  22. 1i33/1i33_protein_processed_fix.pdb +0 -0
  23. 1lhc/1lhc_ligand.mol2 +151 -0
  24. 1lhc/1lhc_ligand.sdf +139 -0
  25. 1lhc/1lhc_protein_esmfold_aligned_tr_fix.pdb +0 -0
  26. 1lhc/1lhc_protein_processed_fix.pdb +0 -0
  27. 1o3j/1o3j_ligand.mol2 +88 -0
  28. 1o3j/1o3j_ligand.sdf +74 -0
  29. 1o3j/1o3j_protein_esmfold_aligned_tr_fix.pdb +0 -0
  30. 1o3j/1o3j_protein_processed_fix.pdb +0 -0
  31. 1pxp/1pxp_ligand.mol2 +102 -0
  32. 1pxp/1pxp_ligand.sdf +92 -0
  33. 1pxp/1pxp_protein_esmfold_aligned_tr_fix.pdb +0 -0
  34. 1pxp/1pxp_protein_processed_fix.pdb +0 -0
  35. 1uu9/1uu9_protein_esmfold_aligned_tr_fix.pdb +0 -0
  36. 1uu9/1uu9_protein_processed_fix.pdb +0 -0
  37. 1x7b/1x7b_ligand.mol2 +78 -0
  38. 1x7b/1x7b_ligand.sdf +68 -0
  39. 1x7b/1x7b_protein_esmfold_aligned_tr_fix.pdb +0 -0
  40. 1x7b/1x7b_protein_processed_fix.pdb +0 -0
  41. 1xff/1xff_ligand.mol2 +51 -0
  42. 1xff/1xff_ligand.sdf +45 -0
  43. 1xff/1xff_protein_esmfold_aligned_tr_fix.pdb +0 -0
  44. 1xff/1xff_protein_processed_fix.pdb +0 -0
  45. 1y1m/1y1m_ligand.mol2 +56 -0
  46. 1y1m/1y1m_ligand.sdf +48 -0
  47. 1y1m/1y1m_protein_esmfold_aligned_tr_fix.pdb +0 -0
  48. 1y1m/1y1m_protein_processed_fix.pdb +0 -0
  49. 1zp5/1zp5_ligand.mol2 +97 -0
  50. 1zp5/1zp5_ligand.sdf +87 -0
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1ai7/1ai7_protein_esmfold_aligned_tr_fix.pdb ADDED
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1ai7/1ai7_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1ao0/1ao0_protein_esmfold_aligned_tr_fix.pdb ADDED
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1ao0/1ao0_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1fd0/1fd0_ligand.mol2 ADDED
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+ $$$$
1fd0/1fd0_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1fd0/1fd0_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1gj8/1gj8_ligand.mol2 ADDED
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1
+ ###
2
+ ### Created by X-TOOL on Mon Sep 10 21:12:49 2018
3
+ ###
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+
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+ @<TRIPOS>MOLECULE
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+ $$$$
1i32/1i32_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1i32/1i32_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1i33/1i33_ligand.mol2 ADDED
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+ ###
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+ ###
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1
+ ###
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+ ### Created by X-TOOL on Mon Sep 10 21:12:51 2018
3
+ ###
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+
5
+ @<TRIPOS>MOLECULE
6
+ 1xff_ligand
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+
11
+
12
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+ 5 CB 6.3450 30.7490 27.3220 C.3 1 GLU 0.0139
18
+ 6 CG 7.5250 29.8070 27.0560 C.3 1 GLU 0.0069
19
+ 7 CD 8.1800 30.1280 25.7280 C.2 1 GLU 0.0351
20
+ 8 OE1 8.8920 31.1610 25.6620 O.co2 1 GLU -0.5690
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+ 9 OE2 8.0170 29.3580 24.7530 O.co2 1 GLU -0.5690
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+ 10 OXT 5.4220 28.2370 29.3110 O.co2 1 GLU -0.5643
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+ @<TRIPOS>SUBSTRUCTURE
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+ 1 GLU 1
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+
1xff/1xff_ligand.sdf ADDED
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+ 1xff_ligand
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+
4
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+ M END
45
+ $$$$
1xff/1xff_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1xff/1xff_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1y1m/1y1m_ligand.mol2 ADDED
@@ -0,0 +1,56 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ###
2
+ ### Created by X-TOOL on Mon Sep 10 21:12:52 2018
3
+ ###
4
+
5
+ @<TRIPOS>MOLECULE
6
+ 1y1m_ligand
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10
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11
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12
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+
1y1m/1y1m_ligand.sdf ADDED
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1
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4
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+ 9 21 1 0 0 0
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+ M END
48
+ $$$$
1y1m/1y1m_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1y1m/1y1m_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1zp5/1zp5_ligand.mol2 ADDED
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1
+ ###
2
+ ### Created by X-TOOL on Mon Sep 10 21:12:53 2018
3
+ ###
4
+
5
+ @<TRIPOS>MOLECULE
6
+ 1zp5_ligand
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+ 40 41 1 0 0
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+
11
+
12
+ @<TRIPOS>ATOM
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+
1zp5/1zp5_ligand.sdf ADDED
@@ -0,0 +1,87 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
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+ M END
87
+ $$$$