Index | Ligand Name | Structure | PDB code | ligand desolvation |
1 | jvy | N-terminal bromodomain of human BRD2 in complex with N-cyclopentyl-7-(3,5-dimethylisoxazol-4-yl)quinoline-5-sulfonamide inhibitor | 6mo9 | 87.84 |
2 | 8j2 | Crystal structure of the second bromodomain of human BRD2 in complex with a tetrahydroquinoline analogue | 5n2l | 86.64 |
3 | hwv | BRD2_Bromodomain2 complex with inhibitor 744 | 6e6j | 82.72 |
4 | jwa | N-terminal bromodomain of human BRD2 with N-((4-(3-(N-cyclopentylsulfamoyl)-4-methylphenyl)-3-methylisoxazol-5-yl)methyl)acetamide inhibitor | 6mo7 | 75.6 |
5 | 31p | Human Brd2(BD2) mutant in complex with ET | 5o3a | 74.29 |
6 | 1k0 | Crystal Structure of the second bromodomain of human BRD2 in complex with a quinazolinone ligand (RVX-OH) | 4mr5 | 72.72 |
7 | p9m | N-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH N-cyclopentyl-5-(3,5- dimethyl-1,2-oxazol-4-yl)-2-methylbenzene-1-sulfonamide | 4a9m | 72.11 |
8 | 9hz | Human Brd2(BD2) mutant in complex with AL | 5o3b | 72.02 |
9 | 9j5 | Human Brd2(BD2) mutant in complex with 9-ET | 5o3d | 70.96 |
10 | 9hw | Human Brd2(BD2) mutant in complex with Me-Am1 | 5o3e | 69.48 |
11 | 5p4 | Crystal structure of the second bromodomain of human BRD2 in complex with a tetrahydroquinoline inhibitor | 5ek9 | 69.4 |
12 | 9hq | Human Brd2(BD2) mutant in complex with 9-ME-Am1 | 5o3h | 69.29 |
13 | 1gh | N-Terminal Bromodomain of Human BRD2 With IBET-151 | 4alg | 69.23 |
14 | 31p | Crystal structure of BRD2(BD2) mutant with ligand ET bound (METHYL (2R)- 2-[(4S)-6-(4-CHLOROPHENYL)-8-METHOXY-1-METHYL-4H-[1,2,4]TRIAZOLO[4,3-A][1, 4]BENZODIAZEPIN-4-YL]BUTANOATE) | 4qew | 67.42 |
15 | 9ht | Human Brd2(BD2) mutant in complex with ET-Am1 | 5o3f | 67.2 |
16 | 9j2 | Human Brd2(BD2) mutant in complex with 9-Me | 5o3c | 67.15 |
17 | jq1 | Crystal Structure of the second bromodomain of human BRD2 in complex with the inhibitor JQ1 | 3oni | 67.13 |
18 | 9j8 | Human Brd2(BD2) mutant in complex with AL-Am1 | 5o3g | 66.98 |
19 | d7q | Human BRD2 C-terminal bromodomain with 2-((4-acetyl-3-cyclopropyl-3,4-dihydroquinoxalin-1(2H)-yl)methyl)benzoic acid | 6ffe | 66.63 |
20 | 9hn | Human Brd2(BD2) mutant in complex with AL-tBu | 5o3i | 66.57 |
21 | 31o | Crystal structure of BRD2(BD2) mutant with ligand ME bound (METHYL (2R)- 2-[(4S)-6-(4-CHLOROPHENYL)-8-METHOXY-1-METHYL-4H-[1,2,4]TRIAZOLO[4,3-A][1, 4]BENZODIAZEPIN-4-YL]PROPANOATE) | 4qev | 66.39 |
22 | 1k0 | Crystal Structure of the second bromodomain of human BRD2 in complex with a quinazolinone ligand (RVX-208) | 4mr6 | 65.91 |
23 | 31o | Human Brd2(BD2) mutant in complex with ME | 5o39 | 65.74 |
24 | eam | Crystal Structure of the First Bromodomain of Human Brd2 with the inhibitor GSK525762 (IBET) | 2yek | 65.59 |
25 | cqf | Crystal structure of BRD2(BD1)with ligand BY27 bound | 6k05 | 65.39 |
26 | cqf | Crystal structure of BRD2(BD2)with ligand BY27 bound | 6k04 | 65.31 |
27 | s5b | N-Terminal Bromodomain of Human BRD2 With tbutyl-phenyl-amino- dimethyl-oxazolyl-quinoline-carboxylic acid | 4akn | 64.17 |
28 | 1k0 | X-ray crystal structure of bromodomain 2 of human brd2 in complex with rvx208 to 1.08 A resolution | 4j1p | 63.03 |
29 | wsh | Crystal Structure of the First Bromodomain of Human Brd2 with the inhibitor GW841819X | 2ydw | 62.95 |
30 | d7b | Human BRD2 C-terminal bromodomain with (S)-1-(2-cyclopropyl-4-(2-(hydroxymethyl)benzyl)-6-(1,2,3,6-tetrahydropyridin-4-yl)-3,4-dihydroquinoxalin-1(2H)-yl)ethanone | 6ffg | 62.85 |
31 | eam | Crystal structure of BRD2(BD2) W370F mutant with ligand I-BET 762 bound | 5dfc | 62.22 |
32 | d7h | Human BRD2 C-terminal bromodomain with (S)-5-(1-acetyl-2-cyclopropyl-4-(2-(hydroxymethyl)benzyl)-1,2,3,4-tetrahydroquinoxalin-6-yl)pyrimidine-2-carboxamide | 6fff | 61.77 |
33 | 73b | C-Terminal bromodomain of Human BRD2 with I-BET726 (GSK1324726A) | 4uyg | 61.54 |
34 | 73b | N-Terminal bromodomain of Human BRD2 with I-BET726 (GSK1324726A) | 4uyf | 60.43 |
35 | 9s3 | N-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH 1-((2R,4S)-2-methyl-4-(phenylamino)-6-(4-(piperidin-1-ylmethyl)phenyl)-3,4-dihydroquinolin-1(2H)-yl)ethanone | 4uyh | 57.08 |
36 | 5gd | X-ray crystal structure of human BRD2(BD2) in complex with RVX297 to 1.55 A resolution | 5dw1 | 56.87 |
37 | 2lo | Crystal structure of BRD2 second bromodomain in complex with SGC-CBP30 chemical probe | 5bt5 | 55.09 |