6BOV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6bov by Molmil](/molmil-images/mine/6bov) | |
6SLG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6slg by Molmil](/molmil-images/mine/6slg) | HUMAN ERK2 WITH ERK1/2 INHIBITOR, AZD0364. | 分子名称: | (6~{R})-7-[[3,4-bis(fluoranyl)phenyl]methyl]-6-(methoxymethyl)-2-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-5,6-dihydroimidazo[1,2-a]pyrazin-8-one, 1,2-ETHANEDIOL, ERK-tide, ... | 著者 | Breed, J, Phillips, C. | 登録日 | 2019-08-19 | 公開日 | 2019-11-20 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (1.33 Å) | 主引用文献 | Discovery of a Potent and Selective Oral Inhibitor of ERK1/2 (AZD0364) That Is Efficacious in Both Monotherapy and Combination Therapy in Models of Nonsmall Cell Lung Cancer (NSCLC). J.Med.Chem., 62, 2019
|
|
7QAZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7qaz by Molmil](/molmil-images/mine/7qaz) | |
6BOS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6bos by Molmil](/molmil-images/mine/6bos) | |
6BOU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6bou by Molmil](/molmil-images/mine/6bou) | |
5FWL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5fwl by Molmil](/molmil-images/mine/5fwl) | Atomic cryoEM structure of Hsp90-Cdc37-Cdk4 complex | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, CYCLIN-DEPENDENT KINASE 4, HEAT SHOCK PROTEIN HSP 90 BETA, ... | 著者 | Verba, K.A, Wang, R.Y.R, Arakawa, A, Liu, Y, Yokoyama, S, Agard, D.A. | 登録日 | 2016-02-18 | 公開日 | 2016-07-06 | 最終更新日 | 2019-10-23 | 実験手法 | ELECTRON MICROSCOPY (9 Å) | 主引用文献 | Atomic Structure of Hsp90-Cdc37-Cdk4 Reveals that Hsp90 Traps and Stabilizes an Unfolded Kinase. Science, 352, 2016
|
|
1LWC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1lwc by Molmil](/molmil-images/mine/1lwc) | CRYSTAL STRUCTURE OF M184V MUTANT HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH NEVIRAPINE | 分子名称: | 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE, HIV-1 REVERSE TRANSCRIPTASE, PHOSPHATE ION | 著者 | Ren, J, Chamberlain, P.P, Nichols, C.E, Douglas, L, Stuart, D.I, Stammers, D.K. | 登録日 | 2002-05-31 | 公開日 | 2002-10-30 | 最終更新日 | 2021-11-10 | 実験手法 | X-RAY DIFFRACTION (2.62 Å) | 主引用文献 | Crystal structures of Zidovudine- or Lamivudine-resistant human immunodeficiency virus type 1 reverse transcriptases containing mutations at codons 41, 184, and 215. J.Virol., 76, 2002
|
|
6GU6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6gu6 by Molmil](/molmil-images/mine/6gu6) | CDK1/Cks2 in complex with Dinaciclib | 分子名称: | 3-[({3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl}amino)methyl]-1-hydroxypyridinium, Cyclin-dependent kinase 1, Cyclin-dependent kinases regulatory subunit 2 | 著者 | Wood, D.J, Korolchuk, S, Tatum, N.J, Wang, L.Z, Endicott, J.A, Noble, M.E.M, Martin, M.P. | 登録日 | 2018-06-19 | 公開日 | 2018-12-05 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.33 Å) | 主引用文献 | Differences in the Conformational Energy Landscape of CDK1 and CDK2 Suggest a Mechanism for Achieving Selective CDK Inhibition. Cell Chem Biol, 26, 2019
|
|
6GU4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6gu4 by Molmil](/molmil-images/mine/6gu4) | CDK1/CyclinB/Cks2 in complex with CGP74514A | 分子名称: | Cyclin-dependent kinase 1, Cyclin-dependent kinases regulatory subunit 2, G2/mitotic-specific cyclin-B1, ... | 著者 | Wood, D.J, Korolchuk, S, Tatum, N.J, Wang, L.Z, Endicott, J.A, Noble, M.E.M, Martin, M.P. | 登録日 | 2018-06-19 | 公開日 | 2018-12-05 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.73 Å) | 主引用文献 | Differences in the Conformational Energy Landscape of CDK1 and CDK2 Suggest a Mechanism for Achieving Selective CDK Inhibition. Cell Chem Biol, 26, 2019
|
|
7MBN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7mbn by Molmil](/molmil-images/mine/7mbn) | Cryo-EM structure of MLL1-NCP (H3K4M) complex, mode02 | 分子名称: | DNA (146-MER), Histone H2A, Histone H2B 1.1, ... | 著者 | Park, S.H, Ayoub, A, Lee, Y.T, Dou, Y, Cho, U. | 登録日 | 2021-04-01 | 公開日 | 2021-12-29 | 最終更新日 | 2024-05-29 | 実験手法 | ELECTRON MICROSCOPY | 主引用文献 | Regulation of MLL1 Methyltransferase Activity in Two Distinct Nucleosome Binding Modes. Biochemistry, 61, 2022
|
|
7MBM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7mbm by Molmil](/molmil-images/mine/7mbm) | Cryo-EM structure of MLL1-NCP (H3K4M) complex, mode01 | 分子名称: | DNA (145-MER), Histone H2A, Histone H2B 1.1, ... | 著者 | Park, S.H, Ayoub, A, Lee, Y.T, Dou, Y, Cho, U. | 登録日 | 2021-04-01 | 公開日 | 2021-12-29 | 最終更新日 | 2024-05-29 | 実験手法 | ELECTRON MICROSCOPY | 主引用文献 | Regulation of MLL1 Methyltransferase Activity in Two Distinct Nucleosome Binding Modes. Biochemistry, 61, 2022
|
|
6BOQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6boq by Molmil](/molmil-images/mine/6boq) | Human APE1 substrate complex with an A/A mismatch adjacent the THF | 分子名称: | 1,2-ETHANEDIOL, 21-mer DNA, DNA-(apurinic or apyrimidinic site) lyase | 著者 | Freudenthal, B.D, Whitaker, A.M, Fairlamb, M.S. | 登録日 | 2017-11-20 | 公開日 | 2018-08-15 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | 主引用文献 | Apurinic/apyrimidinic (AP) endonuclease 1 processing of AP sites with 5' mismatches. Acta Crystallogr D Struct Biol, 74, 2018
|
|
5FXY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5fxy by Molmil](/molmil-images/mine/5fxy) | Structure of the human RBBP4:MTA1(464-546) complex | 分子名称: | HISTONE-BINDING PROTEIN RBBP4, METASTASIS-ASSOCIATED PROTEIN MTA1 | 著者 | Millard, C.J, Varma, N, Fairall, L, Schwabe, J.W.R. | 登録日 | 2016-03-03 | 公開日 | 2016-05-18 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | 主引用文献 | The structure of the core NuRD repression complex provides insights into its interaction with chromatin. Elife, 5, 2016
|
|
6RFP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6rfp by Molmil](/molmil-images/mine/6rfp) | ERK2 MAP kinase with mutations at Helix-G | 分子名称: | Mitogen-activated protein kinase 1 | 著者 | Livnah, O, Eitan-Wexler, M. | 登録日 | 2019-04-16 | 公開日 | 2020-05-13 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.74 Å) | 主引用文献 | The bacterial metalloprotease NleD selectively cleaves mitogen-activated protein kinases that have high flexibility in their activation loop. J.Biol.Chem., 295, 2020
|
|
6RQ4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6rq4 by Molmil](/molmil-images/mine/6rq4) | Inhibitor of ERK2 | 分子名称: | 6,6-dimethyl-2-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-5-(2-morpholin-4-ylethyl)thieno[2,3-c]pyrrol-4-one, Mitogen-activated protein kinase 1, SULFATE ION | 著者 | O'Reilly, M. | 登録日 | 2019-05-15 | 公開日 | 2019-12-04 | 最終更新日 | 2020-02-19 | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | 主引用文献 | Dual-Mechanism ERK1/2 Inhibitors Exploit a Distinct Binding Mode to Block Phosphorylation and Nuclear Accumulation of ERK1/2. Mol.Cancer Ther., 19, 2020
|
|
4B73
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4b73 by Molmil](/molmil-images/mine/4b73) | Discovery of an allosteric mechanism for the regulation of HCV NS3 protein function | 分子名称: | (2S)-4-amino-N-[(1R)-1-(4-chloro-2-fluoro-3-phenoxyphenyl)propyl]-4-oxobutan-2-aminium, NON-STRUCTURAL PROTEIN 4A, SERINE PROTEASE NS3 | 著者 | Saalau-Bethell, S.M, Woodhead, A.J, Chessari, G, Carr, M.G, Coyle, J, Graham, B, Hiscock, S.D, Murray, C.W, Pathuri, P, Rich, S.J, Richardson, C.J, Williams, P.A, Jhoti, H. | 登録日 | 2012-08-16 | 公開日 | 2012-10-03 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Discovery of an Allosteric Mechanism for the Regulation of Hcv Ns3 Protein Function. Nat.Chem.Biol., 8, 2012
|
|
6GU2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6gu2 by Molmil](/molmil-images/mine/6gu2) | CDK1/CyclinB/Cks2 in complex with Flavopiridol | 分子名称: | 2-(2-chlorophenyl)-8-[(3~{R},4~{R})-1-methyl-3-oxidanyl-piperidin-4-yl]-5,7-bis(oxidanyl)chromen-4-one, Cyclin-dependent kinase 1, Cyclin-dependent kinases regulatory subunit 2, ... | 著者 | Wood, D.J, Korolchuk, S, Tatum, N.J, Wang, L.Z, Endicott, J.A, Noble, M.E.M, Martin, M.P. | 登録日 | 2018-06-19 | 公開日 | 2018-12-05 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Differences in the Conformational Energy Landscape of CDK1 and CDK2 Suggest a Mechanism for Achieving Selective CDK Inhibition. Cell Chem Biol, 26, 2019
|
|
6BOW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6bow by Molmil](/molmil-images/mine/6bow) | |
6GU3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6gu3 by Molmil](/molmil-images/mine/6gu3) | CDK1/CyclinB/Cks2 in complex with AZD5438 | 分子名称: | 4-(2-methyl-3-propan-2-yl-imidazol-4-yl)-~{N}-(4-methylsulfonylphenyl)pyrimidin-2-amine, Cyclin-dependent kinase 1, Cyclin-dependent kinases regulatory subunit 2, ... | 著者 | Wood, D.J, Korolchuk, S, Tatum, N.J, Wang, L.Z, Endicott, J.A, Noble, M.E.M, Martin, M.P. | 登録日 | 2018-06-19 | 公開日 | 2018-12-05 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | 主引用文献 | Differences in the Conformational Energy Landscape of CDK1 and CDK2 Suggest a Mechanism for Achieving Selective CDK Inhibition. Cell Chem Biol, 26, 2019
|
|
6G16
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6g16 by Molmil](/molmil-images/mine/6g16) | Structure of the human RBBP4:MTA1(464-546) complex showing loop exchange | 分子名称: | Histone-binding protein RBBP4, Metastasis-associated protein MTA1 | 著者 | Millard, C.J, Varma, N, Fairall, L, Schwabe, J.W.R. | 登録日 | 2018-03-20 | 公開日 | 2018-06-13 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | The structure of the core NuRD repression complex provides insights into its interaction with chromatin. Elife, 5, 2016
|
|
6GU7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6gu7 by Molmil](/molmil-images/mine/6gu7) | CDK1/Cks2 in complex with AZD5438 | 分子名称: | 4-(2-methyl-3-propan-2-yl-imidazol-4-yl)-~{N}-(4-methylsulfonylphenyl)pyrimidin-2-amine, Cyclin-dependent kinase 1, Cyclin-dependent kinases regulatory subunit 2 | 著者 | Wood, D.J, Korolchuk, S, Tatum, N.J, Wang, L.Z, Endicott, J.A, Noble, M.E.M, Martin, M.P. | 登録日 | 2018-06-19 | 公開日 | 2018-12-05 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | 主引用文献 | Differences in the Conformational Energy Landscape of CDK1 and CDK2 Suggest a Mechanism for Achieving Selective CDK Inhibition. Cell Chem Biol, 26, 2019
|
|
4B71
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4b71 by Molmil](/molmil-images/mine/4b71) | Discovery of an allosteric mechanism for the regulation of HCV NS3 protein function | 分子名称: | (1R)-1-(4-chloro-2-fluoro-3-phenoxyphenyl)propan-1-aminium, NON-STRUCTURAL PROTEIN 4A, SERINE PROTEASE NS3 | 著者 | Saalau-Bethell, S.M, Woodhead, A.J, Chessari, G, Carr, M.G, Coyle, J, Graham, B, Hiscock, S.D, Murray, C.W, Pathuri, P, Rich, S.J, Richardson, C.J, Williams, P.A, Jhoti, H. | 登録日 | 2012-08-16 | 公開日 | 2012-10-03 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Discovery of an Allosteric Mechanism for the Regulation of Hcv Ns3 Protein Function. Nat.Chem.Biol., 8, 2012
|
|
5FWK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5fwk by Molmil](/molmil-images/mine/5fwk) | Atomic cryoEM structure of Hsp90-Cdc37-Cdk4 complex | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, CYCLIN-DEPENDENT KINASE 4, HEAT SHOCK PROTEIN HSP 90 BETA, ... | 著者 | Verba, K.A, Wang, R.Y.R, Arakawa, A, Liu, Y, Yokoyama, S, Agard, D.A. | 登録日 | 2016-02-17 | 公開日 | 2016-07-06 | 最終更新日 | 2019-08-21 | 実験手法 | ELECTRON MICROSCOPY (3.9 Å) | 主引用文献 | Atomic Structure of Hsp90-Cdc37-Cdk4 Reveals that Hsp90 Traps and Stabilizes an Unfolded Kinase. Science, 352, 2016
|
|
5VQW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5vqw by Molmil](/molmil-images/mine/5vqw) | Crystal Structure of HIV-1 Reverse Transcriptase (Y181C) Variant in Complex with N-(6-cyano-3-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)-4-methylnaphthalen-1-yl)acrylamide (JLJ685), a Non-nucleoside Inhibitor | 分子名称: | N-(6-cyano-3-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}-4-methylnaphthalen-1-yl)prop-2-enamide, Reverse transcriptase/ribonuclease H, SULFATE ION, ... | 著者 | Chan, A.H, Kudalkar, S.N, Anderson, K.S. | 登録日 | 2017-05-09 | 公開日 | 2017-08-23 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Covalent inhibitors for eradication of drug-resistant HIV-1 reverse transcriptase: From design to protein crystallography. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
|
|
5FWP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5fwp by Molmil](/molmil-images/mine/5fwp) | Atomic cryoEM structure of Hsp90-Cdc37-Cdk4 complex | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, CYCLIN-DEPENDENT KINASE 4, HEAT SHOCK PROTEIN HSP 90 BETA, ... | 著者 | Verba, K.A, Wang, R.Y.R, Arakawa, A, Liu, Y, Yokoyama, S, Agard, D.A. | 登録日 | 2016-02-18 | 公開日 | 2016-10-26 | 最終更新日 | 2019-12-18 | 実験手法 | ELECTRON MICROSCOPY (7.2 Å) | 主引用文献 | Atomic Structure of Hsp90:Cdc37:Cdk4 Reveals that Hsp90 Traps and Stabilizes an Unfolded Kinase. Science, 352, 2016
|
|