6LMJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6lmj by Molmil](/molmil-images/mine/6lmj) | ASFV pA104R in complex with double-strand DNA | 分子名称: | A104R, DNA (5'-D(*TP*GP*CP*TP*TP*AP*TP*CP*AP*AP*TP*TP*TP*GP*TP*TP*GP*CP*A)-3') | 著者 | Wang, H, Qi, J, Chai, Y, Gao, F, Liu, R. | 登録日 | 2019-12-25 | 公開日 | 2020-05-13 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | The structural basis of African swine fever virus pA104R binding to DNA and its inhibition by stilbene derivatives. Proc.Natl.Acad.Sci.USA, 117, 2020
|
|
6LMH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6lmh by Molmil](/molmil-images/mine/6lmh) | |
6AQ1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6aq1 by Molmil](/molmil-images/mine/6aq1) | The crystal structure of human FABP3 | 分子名称: | Fatty acid-binding protein, heart, PALMITIC ACID, ... | 著者 | Hsu, H.C, Li, H. | 登録日 | 2017-08-18 | 公開日 | 2018-06-13 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.40000093 Å) | 主引用文献 | SAR studies on truxillic acid mono esters as a new class of antinociceptive agents targeting fatty acid binding proteins. Eur J Med Chem, 154, 2018
|
|
6BBU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6bbu by Molmil](/molmil-images/mine/6bbu) | Crystal Structure of JAK1 in complex with compound 25 | 分子名称: | N-{cis-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl}propane-1-sulfonamide, Tyrosine-protein kinase JAK1 | 著者 | Han, S. | 登録日 | 2017-10-19 | 公開日 | 2018-01-17 | 最終更新日 | 2018-02-21 | 実験手法 | X-RAY DIFFRACTION (2.08 Å) | 主引用文献 | Identification of N-{cis-3-[Methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl}propane-1-sulfonamide (PF-04965842): A Selective JAK1 Clinical Candidate for the Treatment of Autoimmune Diseases. J. Med. Chem., 61, 2018
|
|
6YAT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6yat by Molmil](/molmil-images/mine/6yat) | Crystal structure of STK4 (MST1) in complex with compound 6 | 分子名称: | (2R)-3-(cyclohexylamino)-2-hydroxypropane-1-sulfonic acid, 4-[5-(3-chlorophenyl)-7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine, GLYCEROL, ... | 著者 | Chaikuad, A, Bata, N, Limpert, A.S, Lambert, L.J, Bakas, N.A, Cosford, N.D.P, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2020-03-13 | 公開日 | 2020-04-29 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.58 Å) | 主引用文献 | Inhibitors of the Hippo Pathway Kinases STK3/MST2 and STK4/MST1 Have Utility for the Treatment of Acute Myeloid Leukemia. J.Med.Chem., 65, 2022
|
|
7FEM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7fem by Molmil](/molmil-images/mine/7fem) | SARS-CoV-2 B.1.1.7 S-ACE2 complex | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ... | 著者 | Wen, Z.L, Zhu, Y, Sun, F. | 登録日 | 2021-07-21 | 公開日 | 2021-12-15 | 実験手法 | ELECTRON MICROSCOPY (4.1 Å) | 主引用文献 | Structure-based evidence for the enhanced transmissibility of the dominant SARS-CoV-2 B.1.1.7 variant (Alpha). Cell Discov, 7, 2021
|
|
7FET
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7fet by Molmil](/molmil-images/mine/7fet) | SARS-CoV-2 B.1.1.7 Spike Glycoprotein trimer | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | 著者 | Wen, Z.L, Zhu, Y, Sun, F. | 登録日 | 2021-07-21 | 公開日 | 2021-12-15 | 実験手法 | ELECTRON MICROSCOPY (3.7 Å) | 主引用文献 | Structure-based evidence for the enhanced transmissibility of the dominant SARS-CoV-2 B.1.1.7 variant (Alpha). Cell Discov, 7, 2021
|
|
6BBV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6bbv by Molmil](/molmil-images/mine/6bbv) | Crystal Structure of JAK2 in complex with compound 25 | 分子名称: | N-{cis-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl}propane-1-sulfonamide, Tyrosine-protein kinase JAK2 | 著者 | Han, S. | 登録日 | 2017-10-19 | 公開日 | 2018-01-17 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Identification of N-{cis-3-[Methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl}propane-1-sulfonamide (PF-04965842): A Selective JAK1 Clinical Candidate for the Treatment of Autoimmune Diseases. J. Med. Chem., 61, 2018
|
|
7BQY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7bqy by Molmil](/molmil-images/mine/7bqy) | THE CRYSTAL STRUCTURE OF COVID-19 MAIN PROTEASE IN COMPLEX WITH AN INHIBITOR N3 at 1.7 angstrom | 分子名称: | 3C-like proteinase, N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOXY)-4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE | 著者 | Liu, X, Zhang, B, Jin, Z, Yang, H, Rao, Z. | 登録日 | 2020-03-26 | 公開日 | 2020-04-22 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Structure of Mprofrom SARS-CoV-2 and discovery of its inhibitors. Nature, 582, 2020
|
|
7FIV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7fiv by Molmil](/molmil-images/mine/7fiv) | Crystal structure of the complex formed by Wolbachia cytoplasmic incompatibility factors CidA and CidBND1-ND2 from wPip(Tunis) | 分子名称: | CidA_I gamma/2 protein, CidB_I b/2 protein | 著者 | Xiao, Y.J, Wang, W, Chen, X, Ji, X.Y, Yang, H.T. | 登録日 | 2021-08-01 | 公開日 | 2022-04-06 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.59 Å) | 主引用文献 | Crystal Structures of Wolbachia CidA and CidB Reveal Determinants of Bacteria-induced Cytoplasmic Incompatibility and Rescue. Nat Commun, 13, 2022
|
|
7FIW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7fiw by Molmil](/molmil-images/mine/7fiw) | Crystal structure of the complex formed by Wolbachia cytoplasmic incompatibility factors CidAwMel(ST) and CidBND1-ND2 from wPip(Pel) | 分子名称: | ULP_PROTEASE domain-containing protein, bacteria factor 4,CidA I(Zeta/1) protein | 著者 | Xiao, Y.J, Wang, W, Chen, X, Ji, X.Y, Yang, H.T. | 登録日 | 2021-08-01 | 公開日 | 2022-04-06 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.16 Å) | 主引用文献 | Crystal Structures of Wolbachia CidA and CidB Reveal Determinants of Bacteria-induced Cytoplasmic Incompatibility and Rescue. Nat Commun, 13, 2022
|
|
7FIU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7fiu by Molmil](/molmil-images/mine/7fiu) | Crystal structure of the DUB domain of Wolbachia cytoplasmic incompatibility factor CidB from wMel | 分子名称: | ULP_PROTEASE domain-containing protein | 著者 | Xiao, Y.J, Wang, W, Chen, X, Ji, X.Y, Yang, H.T. | 登録日 | 2021-08-01 | 公開日 | 2022-04-06 | 最終更新日 | 2024-05-29 | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | 主引用文献 | Crystal Structures of Wolbachia CidA and CidB Reveal Determinants of Bacteria-induced Cytoplasmic Incompatibility and Rescue. Nat Commun, 13, 2022
|
|
7FIT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7fit by Molmil](/molmil-images/mine/7fit) | Crystal structure of Wolbachia cytoplasmic incompatibility factor CidA from wMel | 分子名称: | bacteria factor 1 | 著者 | Xiao, Y.J, Wang, W, Chen, X, Ji, X.Y, Yang, H.T. | 登録日 | 2021-08-01 | 公開日 | 2022-04-06 | 最終更新日 | 2024-05-29 | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | 主引用文献 | Crystal Structures of Wolbachia CidA and CidB Reveal Determinants of Bacteria-induced Cytoplasmic Incompatibility and Rescue. Nat Commun, 13, 2022
|
|
5GGZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ggz by Molmil](/molmil-images/mine/5ggz) | Crystal structure of novel inhibitor bound with Hsp90 | 分子名称: | Heat shock protein HSP 90-alpha, [2,4-bis(oxidanyl)-5-propan-2-yl-phenyl]-(2-ethoxy-7,8-dihydro-5~{H}-pyrido[4,3-d]pyrimidin-6-yl)methanone | 著者 | Chen, T.T, Li, J, Xu, Y.C. | 登録日 | 2016-06-16 | 公開日 | 2017-03-08 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2.015 Å) | 主引用文献 | Novel Tetrahydropyrido[4,3-d]pyrimidines as Potent Inhibitors of Chaperone Heat Shock Protein 90 J. Med. Chem., 59, 2016
|
|
6CHM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6chm by Molmil](/molmil-images/mine/6chm) | |
6CCK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6cck by Molmil](/molmil-images/mine/6cck) | Crystal structure of E.coli Phosphopantetheine Adenylyltransferase (PPAT/CoaD) in complex with (R)-3-(3-chlorophenyl)-3-((5-methyl-7-oxo-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino)propanenitrile | 分子名称: | (3R)-3-(3-chlorophenyl)-3-[(5-methyl-7-oxo-6,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino]propanenitrile, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | 著者 | Mamo, M, Appleton, B.A. | 登録日 | 2018-02-07 | 公開日 | 2018-03-14 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.61 Å) | 主引用文献 | Fragment-Based Drug Discovery of Inhibitors of Phosphopantetheine Adenylyltransferase from Gram-Negative Bacteria. J. Med. Chem., 61, 2018
|
|
6CCQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ccq by Molmil](/molmil-images/mine/6ccq) | |
6CHL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6chl by Molmil](/molmil-images/mine/6chl) | Phosphopantetheine adenylyltransferase (CoaD) in complex with (R)-3-(3-chlorophenyl)-3-((5-methyl-7-oxo-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino)propanenitrile | 分子名称: | (3R)-3-(3-chlorophenyl)-3-[(5-methyl-7-oxo-6,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino]propanenitrile, DIMETHYL SULFOXIDE, Phosphopantetheine adenylyltransferase, ... | 著者 | Mamo, M, Appleton, B.A. | 登録日 | 2018-02-22 | 公開日 | 2018-04-04 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Discovery and Optimization of Phosphopantetheine Adenylyltransferase Inhibitors with Gram-Negative Antibacterial Activity. J. Med. Chem., 61, 2018
|
|
6CHQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6chq by Molmil](/molmil-images/mine/6chq) | Phosphopantetheine adenylyltransferase (CoaD) in complex with 2-benzyl-N-(3-chloro-4-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine | 分子名称: | 2-benzyl-7-[(3-chloro-4-methylphenyl)amino]-5-methyl-3H-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium, DIMETHYL SULFOXIDE, Phosphopantetheine adenylyltransferase, ... | 著者 | Mamo, M, Appleton, B.A. | 登録日 | 2018-02-22 | 公開日 | 2018-04-04 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | 主引用文献 | Discovery and Optimization of Phosphopantetheine Adenylyltransferase Inhibitors with Gram-Negative Antibacterial Activity. J. Med. Chem., 61, 2018
|
|
6K32
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6k32 by Molmil](/molmil-images/mine/6k32) | RdRp complex | 分子名称: | 2'-O-methyladenosine 5'-(dihydrogen phosphate), 7-METHYLGUANOSINE, DIPHOSPHATE, ... | 著者 | Li, X.W. | 登録日 | 2019-05-16 | 公開日 | 2019-11-20 | 最終更新日 | 2024-03-27 | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | 主引用文献 | Structure of RdRps Within a Transcribing dsRNA Virus Provides Insights Into the Mechanisms of RNA Synthesis. J.Mol.Biol., 432, 2020
|
|
5WNW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5wnw by Molmil](/molmil-images/mine/5wnw) | Chaperone Spy bound to Im7 6-45 ensemble | 分子名称: | CHLORIDE ION, Colicin-E7 immunity protein, IMIDAZOLE, ... | 著者 | Horowitz, S, Salmon, L, Koldewey, P, Ahlstrom, L.S, Martin, R, Xu, Q, Afonine, P.V, Trievel, R.C, Brooks, C.L, Bardwell, J.C.A. | 登録日 | 2017-08-01 | 公開日 | 2017-08-16 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | 主引用文献 | Visualizing chaperone-assisted protein folding. Nat. Struct. Mol. Biol., 23, 2016
|
|
6CHN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6chn by Molmil](/molmil-images/mine/6chn) | Phosphopantetheine adenylyltransferase (CoaD) in complex with methyl (R)-4-(3-(2-cyano-1-((5-methyl-7-oxo-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino)ethyl)phenoxy)piperidine-1-carboxylate | 分子名称: | DI(HYDROXYETHYL)ETHER, Phosphopantetheine adenylyltransferase, SULFATE ION, ... | 著者 | Mamo, M, Appleton, B.A. | 登録日 | 2018-02-22 | 公開日 | 2018-04-04 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.03 Å) | 主引用文献 | Discovery and Optimization of Phosphopantetheine Adenylyltransferase Inhibitors with Gram-Negative Antibacterial Activity. J. Med. Chem., 61, 2018
|
|
6CCM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ccm by Molmil](/molmil-images/mine/6ccm) | Crystal structure of E.coli Phosphopantetheine Adenylyltransferase (PPAT/CoaD) in complex with 2-((3-bromobenzyl)amino)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one | 分子名称: | 2-{[(3-bromophenyl)methyl]amino}-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(6H)-one, Phosphopantetheine adenylyltransferase, SULFATE ION | 著者 | Mamo, M, Appleton, B.A. | 登録日 | 2018-02-07 | 公開日 | 2018-03-14 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | 主引用文献 | Fragment-Based Drug Discovery of Inhibitors of Phosphopantetheine Adenylyltransferase from Gram-Negative Bacteria. J. Med. Chem., 61, 2018
|
|
6CCS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ccs by Molmil](/molmil-images/mine/6ccs) | |
6CHO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6cho by Molmil](/molmil-images/mine/6cho) | Phosphopantetheine adenylyltransferase (CoaD) in complex with (R)-2-((1-(3-(4-methoxyphenoxy)phenyl)ethyl)amino)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one | 分子名称: | 2-({(1R)-1-[3-(4-methoxyphenoxy)phenyl]ethyl}amino)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(6H)-one, Phosphopantetheine adenylyltransferase, SULFATE ION, ... | 著者 | Mamo, M, Appleton, B.A. | 登録日 | 2018-02-22 | 公開日 | 2018-04-04 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Discovery and Optimization of Phosphopantetheine Adenylyltransferase Inhibitors with Gram-Negative Antibacterial Activity. J. Med. Chem., 61, 2018
|
|