7LRC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7lrc by Molmil](/molmil-images/mine/7lrc) | Cryo-EM of the SLFN12-PDE3A complex: PDE3A body refinement | 分子名称: | (4~{R})-3-[4-(diethylamino)-3-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]phenyl]-4-methyl-4,5-dihydro-1~{H}-pyridazin-6-one, MAGNESIUM ION, MANGANESE (II) ION, ... | 著者 | Fuller, J.R, Garvie, C.W, Lemke, C.T. | 登録日 | 2021-02-16 | 公開日 | 2021-06-09 | 最終更新日 | 2024-03-06 | 実験手法 | ELECTRON MICROSCOPY (2.97 Å) | 主引用文献 | Structure of PDE3A-SLFN12 complex reveals requirements for activation of SLFN12 RNase. Nat Commun, 12, 2021
|
|
7L9L
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7l9l by Molmil](/molmil-images/mine/7l9l) | Crystal structure of the second bromodomain (BD2) of human BRD3 bound to BI2536 | 分子名称: | 1,2-ETHANEDIOL, 4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide, Bromodomain-containing protein 3 | 著者 | Karim, M.R, Bikowitz, M.J, Schonbrunn, E. | 登録日 | 2021-01-04 | 公開日 | 2021-07-07 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Differential BET Bromodomain Inhibition by Dihydropteridinone and Pyrimidodiazepinone Kinase Inhibitors. J.Med.Chem., 64, 2021
|
|
7LB4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7lb4 by Molmil](/molmil-images/mine/7lb4) | |
7LBT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7lbt by Molmil](/molmil-images/mine/7lbt) | Crystal structure of the second bromodomain (BD2) of human BRD3 bound to ERK5-IN-1 | 分子名称: | 11-cyclopentyl-2-({2-ethoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl}amino)-5-methyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one, Bromodomain-containing protein 3 | 著者 | Karim, M.R, Bikowitz, M.J, Schonbrunn, E. | 登録日 | 2021-01-08 | 公開日 | 2021-07-14 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Differential BET Bromodomain Inhibition by Dihydropteridinone and Pyrimidodiazepinone Kinase Inhibitors. J.Med.Chem., 64, 2021
|
|
6LG4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6lg4 by Molmil](/molmil-images/mine/6lg4) | |
7MCF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7mcf by Molmil](/molmil-images/mine/7mcf) | CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH 2-{3-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-6-fluoro-5-[(S)-(3-fluoropyridin-2-yl)(oxan-4-yl)methyl]-5H-pyrido[3,2-b]indol-7-yl}propan-2-ol | 分子名称: | 2-{3-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-6-fluoro-5-[(S)-(3-fluoropyridin-2-yl)(oxan-4-yl)methyl]-5H-pyrido[3,2-b]indol-7-yl}propan-2-ol, Bromodomain-containing protein 4 | 著者 | Sheriff, S. | 登録日 | 2021-04-02 | 公開日 | 2021-05-26 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.19 Å) | 主引用文献 | Development of BET inhibitors as potential treatments for cancer: A search for structural diversity. Bioorg.Med.Chem.Lett., 44, 2021
|
|
6LAE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6lae by Molmil](/molmil-images/mine/6lae) | Crystal structure of the DNA-binding domain of human XPA in complex with DNA | 分子名称: | DNA (5'-D(P*GP*CP*AP*TP*CP*TP*CP*GP*CP*CP*T)-3'), DNA (5'-D(P*TP*GP*GP*CP*GP*AP*GP*AP*TP*GP*C)-3'), DNA repair protein complementing XP-A cells, ... | 著者 | Lian, F.M, Yang, X, Jiang, Y.L, Yang, F, Li, C, Yang, W, Qian, C. | 登録日 | 2019-11-12 | 公開日 | 2020-02-26 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.81 Å) | 主引用文献 | New structural insights into the recognition of undamaged splayed-arm DNA with a single pair of non-complementary nucleotides by human nucleotide excision repair protein XPA. Int.J.Biol.Macromol., 148, 2020
|
|
6LG9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6lg9 by Molmil](/molmil-images/mine/6lg9) | |
6LG8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6lg8 by Molmil](/molmil-images/mine/6lg8) | |
6L1E
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6l1e by Molmil](/molmil-images/mine/6l1e) | |
7M2N
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7m2n by Molmil](/molmil-images/mine/7m2n) | Crystal structure of Human Lactate Dehydrogenase A with Inhibitor Compound 15 | 分子名称: | 1,2-ETHANEDIOL, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 5-[(5'-{1-(4-carboxy-1,3-thiazol-2-yl)-5-(cyclopropylmethyl)-4-[(3-fluoro-4-sulfamoylphenyl)methyl]-1H-pyrazol-3-yl}-2'-fluoro[1,1'-biphenyl]-4-yl)oxy]-1H-1,2,3-triazole-4-carboxylic acid, ... | 著者 | Gumpena, R, Ding, J, Powell, D.A, Lowther, W.T. | 登録日 | 2021-03-17 | 公開日 | 2021-07-14 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Dual Glycolate Oxidase/Lactate Dehydrogenase A Inhibitors for Primary Hyperoxaluria ACS Medicinal Chemistry Letters, 12, 2021
|
|
7MOY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7moy by Molmil](/molmil-images/mine/7moy) | Structure of HDAC2 in complex with an inhibitor (compound 19) | 分子名称: | (1S)-6-ethyl-N-{(1S)-1-[5-(2-ethyl-1-oxo-1,2-dihydroisoquinolin-6-yl)-1H-imidazol-2-yl]-7,7-dihydroxynonyl}-6-azaspiro[2.5]octane-1-carboxamide, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | 著者 | Klein, D.J, Yu, W. | 登録日 | 2021-05-03 | 公開日 | 2021-07-14 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | 主引用文献 | Discovery of macrocyclic HDACs 1, 2, and 3 selective inhibitors for HIV latency reactivation. Bioorg.Med.Chem.Lett., 47, 2021
|
|
7MOS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7mos by Molmil](/molmil-images/mine/7mos) | Structure of HDAC2 in complex with a macrocyclic inhibitor (compound 4) | 分子名称: | (3S,18S,20aR)-18-(6,6-dihydroxyoctyl)-1,5,6,7,8,18,19,20a-octahydro-4H-14,17-epiminoazeto[1,2-g][1,7,10,13]benzoxatriazacycloheptadecin-20(2H)-one, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | 著者 | Klein, D.J, Yu, W. | 登録日 | 2021-05-03 | 公開日 | 2021-07-14 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.704 Å) | 主引用文献 | Discovery of macrocyclic HDACs 1, 2, and 3 selective inhibitors for HIV latency reactivation. Bioorg.Med.Chem.Lett., 47, 2021
|
|
7MOT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7mot by Molmil](/molmil-images/mine/7mot) | Structure of HDAC2 in complex with an inhibitor (compound 9) | 分子名称: | 5-{(1S)-7,7-dihydroxy-1-[(1-methylazetidine-3-carbonyl)amino]nonyl}-2-phenyl-1H-imidazole-4-carboxamide, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | 著者 | Klein, D.J, Yu, W. | 登録日 | 2021-05-03 | 公開日 | 2021-07-14 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.54 Å) | 主引用文献 | Discovery of macrocyclic HDACs 1, 2, and 3 selective inhibitors for HIV latency reactivation. Bioorg.Med.Chem.Lett., 47, 2021
|
|
7MOX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7mox by Molmil](/molmil-images/mine/7mox) | Structure of HDAC2 in complex with an inhibitor (compound 14) | 分子名称: | (1S)-N-[(1S)-7,7-dihydroxy-1-{4-[(1R,4S)-1,2,3,4-tetrahydro-1,4-methanonaphthalen-6-yl]-1H-imidazol-2-yl}nonyl]-6-methyl-6-azaspiro[2.5]octane-1-carboxamide, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | 著者 | Klein, D.J, Yu, W. | 登録日 | 2021-05-03 | 公開日 | 2021-07-14 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.69 Å) | 主引用文献 | Discovery of macrocyclic HDACs 1, 2, and 3 selective inhibitors for HIV latency reactivation. Bioorg.Med.Chem.Lett., 47, 2021
|
|
7MOZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7moz by Molmil](/molmil-images/mine/7moz) | Structure of HDAC2 in complex with a macrocyclic inhibitor (compound 25) | 分子名称: | (1R,3S,6S,18R,27R)-6-(6,6-dihydroxyoctyl)-5,8,18,27,34-pentaazahexacyclo[25.2.2.1~7,10~.1~11,15~.1~14,18~.0~1,3~]tetratriaconta-7,9,11(33),12,14,16-hexaene-4,32-dione (non-preferred name), CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | 著者 | Klein, D.J, Yu, W. | 登録日 | 2021-05-03 | 公開日 | 2021-07-14 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.543 Å) | 主引用文献 | Discovery of macrocyclic HDACs 1, 2, and 3 selective inhibitors for HIV latency reactivation. Bioorg.Med.Chem.Lett., 47, 2021
|
|
7MLR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7mlr by Molmil](/molmil-images/mine/7mlr) | X-ray crystal structure of human BRD4(D1) in complex with 2-(4-{5-[6-(3,5-dimethylphenoxy)pyridin-2-yl]-4-methyl-1H-1,2,3-triazol-1- yl}piperidin-1-yl)-N,N-dimethylethan-1-amine (DW34) | 分子名称: | 1,2-ETHANEDIOL, 2-(4-{5-[6-(3,5-dimethylphenoxy)pyridin-2-yl]-4-methyl-1H-1,2,3-triazol-1-yl}piperidin-1-yl)-N,N-dimethylethan-1-amine, Bromodomain-containing protein 4, ... | 著者 | Cui, H, Shi, K, Aihara, H, Pomerantz, W.C.K. | 登録日 | 2021-04-28 | 公開日 | 2021-07-28 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | 4-Methyl-1,2,3-Triazoles as N -Acetyl-Lysine Mimics Afford Potent BET Bromodomain Inhibitors with Improved Selectivity. J.Med.Chem., 64, 2021
|
|
7MLQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7mlq by Molmil](/molmil-images/mine/7mlq) | X-ray crystal structure of human BRD4(D1) in complex with 2-(4-{5-[6-(2,5-dibromophenoxy)pyridin-2-yl]-4-methyl-1H-1,2,3-triazol-1-yl}piperidin-1-yl)-N,N-dimethylethan-1-amine (compound 26) | 分子名称: | 1,2-ETHANEDIOL, 2-(4-{5-[6-(2,5-dibromophenoxy)pyridin-2-yl]-4-methyl-1H-1,2,3-triazol-1-yl}piperidin-1-yl)-N,N-dimethylethan-1-amine, Bromodomain-containing protein 4, ... | 著者 | Cui, H, Johnson, J.A, Vail, N.R, Shi, K, Aihara, H, Pomerantz, W.C.K. | 登録日 | 2021-04-28 | 公開日 | 2021-07-28 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.32 Å) | 主引用文献 | 4-Methyl-1,2,3-Triazoles as N -Acetyl-Lysine Mimics Afford Potent BET Bromodomain Inhibitors with Improved Selectivity. J.Med.Chem., 64, 2021
|
|
7MLS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7mls by Molmil](/molmil-images/mine/7mls) | X-ray crystal structure of human BRD4(D1) in complex with 2-(2,5-dibromophenoxy)-6-[4-methyl-1-(piperidin-4-yl)-1H-1,2,3-triazol-5-yl]pyridine (compound 23) | 分子名称: | 1,2-ETHANEDIOL, 2-(2,5-dibromophenoxy)-6-[4-methyl-1-(piperidin-4-yl)-1H-1,2,3-triazol-5-yl]pyridine, Bromodomain-containing protein 4, ... | 著者 | Cui, H, Johnson, J.A, Zahid, H, Buchholz, C.R, Shi, K, Aihara, H, Pomerantz, W.C.K. | 登録日 | 2021-04-28 | 公開日 | 2021-07-28 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.26 Å) | 主引用文献 | 4-Methyl-1,2,3-Triazoles as N -Acetyl-Lysine Mimics Afford Potent BET Bromodomain Inhibitors with Improved Selectivity. J.Med.Chem., 64, 2021
|
|
7M5M
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7m5m by Molmil](/molmil-images/mine/7m5m) | PCNA bound to peptide mimetic | 分子名称: | N-BUTANE, Peptide mimetic (ACE)RQCSMTCFYHSK(NH2) with linker, Proliferating cell nuclear antigen | 著者 | Vandborg, B.A, Bruning, J.B. | 登録日 | 2021-03-24 | 公開日 | 2021-08-11 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | A cell permeable bimane-constrained PCNA-interacting peptide. Rsc Chem Biol, 2, 2021
|
|
7M5L
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7m5l by Molmil](/molmil-images/mine/7m5l) | |
7M5N
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7m5n by Molmil](/molmil-images/mine/7m5n) | PCNA bound to peptide mimetic with linker | 分子名称: | 1,3-dimethylbenzene, Peptide mimetic (ACE)RQCSMTCFYHSK(NH2) with linker, Proliferating cell nuclear antigen | 著者 | Vandborg, B.A, Bruning, J.B. | 登録日 | 2021-03-24 | 公開日 | 2021-08-11 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (3.11 Å) | 主引用文献 | A cell permeable bimane-constrained PCNA-interacting peptide. Rsc Chem Biol, 2, 2021
|
|
6LGM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6lgm by Molmil](/molmil-images/mine/6lgm) | |
7MDO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7mdo by Molmil](/molmil-images/mine/7mdo) | Structure of human p97 ATPase L464P mutant | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, Transitional endoplasmic reticulum ATPase | 著者 | Zhang, X, Gui, L, Li, S, Nandi, P, Columbres, R.C, Wong, D.E, Moen, D.R, Lin, H.J, Chiu, P.-L, Chou, T.-F. | 登録日 | 2021-04-05 | 公開日 | 2021-08-25 | 最終更新日 | 2024-05-29 | 実験手法 | ELECTRON MICROSCOPY (4.12 Å) | 主引用文献 | Conserved L464 in p97 D1-D2 linker is critical for p97 cofactor regulated ATPase activity. Biochem.J., 478, 2021
|
|
7MDM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7mdm by Molmil](/molmil-images/mine/7mdm) | Structure of human p97 ATPase L464P mutant | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, Transitional endoplasmic reticulum ATPase | 著者 | Zhang, X, Gui, L, Li, S, Nandi, P, Columbres, R.C, Wong, D.E, Moen, D.R, Lin, H.J, Chiu, P.-L, Chou, T.-F. | 登録日 | 2021-04-05 | 公開日 | 2021-08-25 | 最終更新日 | 2024-05-29 | 実験手法 | ELECTRON MICROSCOPY (4.86 Å) | 主引用文献 | Conserved L464 in p97 D1-D2 linker is critical for p97 cofactor regulated ATPase activity. Biochem.J., 478, 2021
|
|