5IME
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ime by Molmil](/molmil-images/mine/5ime) | Crystal structure of P21-activated kinase 1 (PAK1) in complex with compound 9 | 分子名称: | 8-(3-aminopropyl)-6-[2-chloro-4-(3-methyl-2-oxopyrazin-1(2H)-yl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7(8H)-one, Serine/threonine-protein kinase PAK 1 | 著者 | Li, D, Wang, W. | 登録日 | 2016-03-06 | 公開日 | 2016-05-25 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.217 Å) | 主引用文献 | Chemically Diverse Group I p21-Activated Kinase (PAK) Inhibitors Impart Acute Cardiovascular Toxicity with a Narrow Therapeutic Window. J.Med.Chem., 59, 2016
|
|
2ZCG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2zcg by Molmil](/molmil-images/mine/2zcg) | |
2MBE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2mbe by Molmil](/molmil-images/mine/2mbe) | |
9EZX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 9ezx by Molmil](/molmil-images/mine/9ezx) | Vibrio cholerae DdmD apo complex | 分子名称: | Helicase/UvrB N-terminal domain-containing protein | 著者 | Loeff, L, Jinek, M. | 登録日 | 2024-04-14 | 公開日 | 2024-06-19 | 最終更新日 | 2024-07-24 | 実験手法 | ELECTRON MICROSCOPY (2.55 Å) | 主引用文献 | Molecular mechanism of plasmid elimination by the DdmDE defense system. Science, 385, 2024
|
|
2PNM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2pnm by Molmil](/molmil-images/mine/2pnm) | |
2PNL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2pnl by Molmil](/molmil-images/mine/2pnl) | Crystal structure of VP4 protease from infectious pancreatic necrosis virus (IPNV) in space group P1 | 分子名称: | GUANIDINE, Protease VP4 | 著者 | Paetzel, M, Lee, J, Feldman, A.R, Delmas, B. | 登録日 | 2007-04-24 | 公開日 | 2007-06-05 | 最終更新日 | 2021-10-20 | 実験手法 | X-RAY DIFFRACTION (2.21 Å) | 主引用文献 | Crystal structure of the VP4 protease from infectious pancreatic necrosis virus reveals the acyl-enzyme complex for an intermolecular self-cleavage reaction. J.Biol.Chem., 282, 2007
|
|
7STS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7sts by Molmil](/molmil-images/mine/7sts) | Crystal Structure of Human Fab S24-1379 in the Complex with the N-teminal Domain of Nucleocapsid Protein from SARS CoV-2 | 分子名称: | Fab S24-1379, heavy chain, light chain, ... | 著者 | Kim, Y, Maltseva, N, Tesar, C, Jedrzejczak, R, Dugan, H, Stamper, C, Wilson, P, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | 登録日 | 2021-11-15 | 公開日 | 2022-08-10 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.16 Å) | 主引用文献 | Epitopes recognition of SARS-CoV-2 nucleocapsid RNA binding domain by human monoclonal antibodies. Iscience, 27, 2024
|
|
7SUE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7sue by Molmil](/molmil-images/mine/7sue) | Crystal Structure of Human Fab S24-188 in the complex with the N-teminal Domain of Nucleocapsid protein from SARS CoV-2 | 分子名称: | Nucleoprotein, S24-188 Fab Heavy chain, S24-188 Fab Light chain | 著者 | Kim, Y, Maltseva, N, Tesar, C, Jedrzejczak, R, Dugan, H, Stamper, C, Wilson, P, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | 登録日 | 2021-11-17 | 公開日 | 2022-08-10 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Epitopes recognition of SARS-CoV-2 nucleocapsid RNA binding domain by human monoclonal antibodies. Iscience, 27, 2024
|
|
7STR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7str by Molmil](/molmil-images/mine/7str) | Crystal Structure of Human Fab S24-1063 in the Complex with the N-teminal Domain of Nucleocapsid Protein from SARS CoV-2 | 分子名称: | 1,2-ETHANEDIOL, Fab S24-1063, Heavy chain, ... | 著者 | Kim, Y, Maltseva, N, Tesar, C, Jedrzejczak, R, Dugan, H, Stamper, C, Wilson, P, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | 登録日 | 2021-11-15 | 公開日 | 2022-08-10 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Epitopes recognition of SARS-CoV-2 nucleocapsid RNA binding domain by human monoclonal antibodies. Iscience, 27, 2024
|
|
6NSL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6nsl by Molmil](/molmil-images/mine/6nsl) | CRYSTAL STRUCTURE OF TYROSINE KINASE 2 JH2 (PSEUDO KINASE DOMAIN) COMPLEXED WITH Compound-6c AKA 6-((1-(4-CYANOPHENY L)-2-OXO-1,2-DIHYDRO-3-PYRIDINYL)AMINO)-N-CYCLOPROPYL-8-(M ETHYLAMINO)IMIDAZO[1,2-B]PYRIDAZINE-3-CARBOXAMIDE | 分子名称: | 6-{[1-(4-cyanophenyl)-2-oxo-1,2-dihydropyridin-3-yl]amino}-N-cyclopropyl-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide, Non-receptor tyrosine-protein kinase TYK2, SULFATE ION | 著者 | Muckelbauer, J.M, Khan, J.A. | 登録日 | 2019-01-25 | 公開日 | 2020-01-29 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Identification of Imidazo[1,2-b]pyridazine Derivatives as Potent, Selective, and Orally Active Tyk2 JH2 Inhibitors. Acs Med.Chem.Lett., 10, 2019
|
|
5W4W
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5w4w by Molmil](/molmil-images/mine/5w4w) | |
6NZF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6nzf by Molmil](/molmil-images/mine/6nzf) | |
6NZE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6nze by Molmil](/molmil-images/mine/6nze) | |
6NZH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6nzh by Molmil](/molmil-images/mine/6nzh) | |
7TZP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7tzp by Molmil](/molmil-images/mine/7tzp) | Crystal Structure of Putataive Short-Chain Dehydrogenase/Reductase (FabG) from Klebsiella pneumoniae subsp. pneumoniae NTUH-K2044 in Complex with NADH | 分子名称: | 1,2-ETHANEDIOL, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 3-oxoacyl-ACP reductase, ... | 著者 | Minasov, G, Shuvalova, L, Dubrovska, I, Kiryukhina, O, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID) | 登録日 | 2022-02-16 | 公開日 | 2022-03-02 | 最終更新日 | 2023-06-14 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | A Structural Systems Biology Approach to High-Risk CG23 Klebsiella pneumoniae. Microbiol Resour Announc, 12, 2023
|
|
4TX9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4tx9 by Molmil](/molmil-images/mine/4tx9) | Crystal structure of HisAp from Streptomyces sviceus with degraded ProFAR | 分子名称: | AMINOIMIDAZOLE 4-CARBOXAMIDE RIBONUCLEOTIDE, Phosphoribosyl isomerase A, SULFATE ION | 著者 | Michalska, K, Verduzco-Castro, E.A, Endres, M, Barona-Gomez, F, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | 登録日 | 2014-07-02 | 公開日 | 2014-08-06 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Co-occurrence of analogous enzymes determines evolution of a novel ( beta alpha )8-isomerase sub-family after non-conserved mutations in flexible loop. Biochem. J., 473, 2016
|
|
4W9T
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4w9t by Molmil](/molmil-images/mine/4w9t) | Crystal structure of HisAP from Streptomyces sp. Mg1 | 分子名称: | Phosphoribosyl isomerase A, SULFATE ION | 著者 | MICHALSKA, K, VERDUZCO-CASTRO, E.A, ENDRES, M, BARONA-GOMEZ, F, JOACHIMIAK, A, Midwest Center for Structural Genomics (MCSG) | 登録日 | 2014-08-27 | 公開日 | 2014-09-10 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.57 Å) | 主引用文献 | Co-occurrence of analogous enzymes determines evolution of a novel ( beta alpha )8-isomerase sub-family after non-conserved mutations in flexible loop. Biochem. J., 473, 2016
|
|
7N3C
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7n3c by Molmil](/molmil-images/mine/7n3c) | Crystal Structure of Human Fab S24-202 in the complex with the N-terminal Domain of Nucleocapsid protein from SARS CoV-2 | 分子名称: | 1,2-ETHANEDIOL, IODIDE ION, Nucleoprotein, ... | 著者 | Kim, Y, Maltseva, N, Tesar, C, Jedrzejczak, R, Dugan, H, Stamper, C, Wilson, P, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | 登録日 | 2021-05-31 | 公開日 | 2021-07-07 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | 主引用文献 | Epitopes recognition of SARS-CoV-2 nucleocapsid RNA binding domain by human monoclonal antibodies. Iscience, 27, 2024
|
|
7N3D
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7n3d by Molmil](/molmil-images/mine/7n3d) | Crystal Structure of Human Fab S24-1564 in the complex with the N-terminal Domain of Nucleocapsid protein from SARS CoV-2 | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, Nucleoprotein, ... | 著者 | Kim, Y, Maltseva, N, Tesar, C, Jedrzejczak, R, Dugan, H, Stamper, C, Wilson, P, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | 登録日 | 2021-05-31 | 公開日 | 2021-07-07 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.53 Å) | 主引用文献 | Epitopes recognition of SARS-CoV-2 nucleocapsid RNA binding domain by human monoclonal antibodies. Iscience, 27, 2024
|
|
7OXD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7oxd by Molmil](/molmil-images/mine/7oxd) | |
5LOF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5lof by Molmil](/molmil-images/mine/5lof) | Crystal structure of the MBP-MCL1 complex with highly selective and potent inhibitor of MCL1 | 分子名称: | (2~{R})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(5-fluoranylfuran-2-yl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-[2-[[2-[2,2,2-tris(fluoranyl)ethyl]pyrazol-3-yl]methoxy]phenyl]propanoic acid, Maltose-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | 著者 | Dokurno, P, Kotschy, A, Szlavik, Z, Murray, J, Davidson, J, Csekei, M, Paczal, A, Szabo, Z, Sipos, S, Radics, G, Proszenyak, A, Balint, B, Ondi, L, Blasko, G, Robertson, A, Surgenor, A, Chen, I, Matassova, N, Smith, J, Pedder, C, Graham, C, Geneste, O. | 登録日 | 2016-08-09 | 公開日 | 2016-10-26 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | The MCL1 inhibitor S63845 is tolerable and effective in diverse cancer models. Nature, 538, 2016
|
|
8G5T
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8g5t by Molmil](/molmil-images/mine/8g5t) | |
8G5U
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8g5u by Molmil](/molmil-images/mine/8g5u) | Crystal structure of TnmK2 complexed with TNM B | 分子名称: | TnmK2, methyl (2E)-3-[(1aS,11S,11aS,14Z,18R)-3,18-dihydroxy-4,9-dioxo-4,9,10,11-tetrahydro-11aH-11,1a-hept[3]ene[1,5]diynonaphtho[2,3-h]oxireno[c]quinolin-11a-yl]but-2-enoate | 著者 | Liu, Y.-C, Gui, C, Shen, B. | 登録日 | 2023-02-14 | 公開日 | 2023-10-18 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.804 Å) | 主引用文献 | Cofactorless oxygenases guide anthraquinone-fused enediyne biosynthesis. Nat.Chem.Biol., 20, 2024
|
|
8G5S
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8g5s by Molmil](/molmil-images/mine/8g5s) | |
7PLA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7pla by Molmil](/molmil-images/mine/7pla) | |