7CWO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7cwo by Molmil](/molmil-images/mine/7cwo) | SARS-CoV-2 spike protein RBD and P17 fab complex | 分子名称: | Spike glycoprotein, heavy chain of P17 Fab, light chain of P17 Fab | 著者 | Wang, X, Wang, N. | 登録日 | 2020-08-29 | 公開日 | 2020-12-16 | 最終更新日 | 2021-01-13 | 実験手法 | ELECTRON MICROSCOPY (3.9 Å) | 主引用文献 | Rational development of a human antibody cocktail that deploys multiple functions to confer Pan-SARS-CoVs protection. Cell Res., 31, 2021
|
|
5H25
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5h25 by Molmil](/molmil-images/mine/5h25) | EED in complex with PRC2 allosteric inhibitor compound 11 | 分子名称: | 5-(2-fluorophenyl)-2,3-dihydroimidazo[2,1-a]isoquinoline, Histone-lysine N-methyltransferase EZH2, Polycomb protein EED | 著者 | Zhao, K, Zhao, M, Luo, X, Zhang, H. | 登録日 | 2016-10-14 | 公開日 | 2017-01-25 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.88 Å) | 主引用文献 | Discovery of First-in-Class, Potent, and Orally Bioavailable Embryonic Ectoderm Development (EED) Inhibitor with Robust Anticancer Efficacy J. Med. Chem., 60, 2017
|
|
5H19
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5h19 by Molmil](/molmil-images/mine/5h19) | EED in complex with PRC2 allosteric inhibitor EED162 | 分子名称: | 5-(furan-2-ylmethylamino)-9-(phenylmethyl)-8,10-dihydro-7H-[1,2,4]triazolo[3,4-a][2,7]naphthyridine-6-carbonitrile, Histone-lysine N-methyltransferase EZH2, Polycomb protein EED | 著者 | Zhao, K, Zhao, M, Luo, X, Zhang, H. | 登録日 | 2016-10-08 | 公開日 | 2017-01-25 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Discovery and Molecular Basis of a Diverse Set of Polycomb Repressive Complex 2 Inhibitors Recognition by EED PLoS ONE, 12, 2017
|
|
7CMW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7cmw by Molmil](/molmil-images/mine/7cmw) | Complex structure of PARP1 catalytic domain with pamiparib | 分子名称: | (2R)-14-fluoro-2-methyl-6,9,10,19-tetrazapentacyclo[14.2.1.02,6.08,18.012,17]nonadeca-1(18),8,12(17),13,15-pentaen-11-one, GLYCEROL, Poly [ADP-ribose] polymerase 1 | 著者 | Feng, Y.C, Peng, H, Hong, Y, Liu, Y. | 登録日 | 2020-07-29 | 公開日 | 2020-12-16 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Discovery of Pamiparib (BGB-290), a Potent and Selective Poly (ADP-ribose) Polymerase (PARP) Inhibitor in Clinical Development. J.Med.Chem., 63, 2020
|
|
7CWL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7cwl by Molmil](/molmil-images/mine/7cwl) | |
4XAK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4xak by Molmil](/molmil-images/mine/4xak) | Crystal structure of potent neutralizing antibody m336 in complex with MERS Co-V RBD | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Heavy chain of neutralizing antibody m336, ... | 著者 | Zhou, T, Dimtrov, D.S, Ying, T. | 登録日 | 2014-12-15 | 公開日 | 2015-08-26 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | 主引用文献 | Junctional and allele-specific residues are critical for MERS-CoV neutralization by an exceptionally potent germline-like antibody. Nat Commun, 6, 2015
|
|
4U3F
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4u3f by Molmil](/molmil-images/mine/4u3f) | Cytochrome bc1 complex from chicken with designed inhibitor bound | 分子名称: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CARDIOLIPIN, ... | 著者 | Huang, L.-S, Zhu, X.-L, Yang, G.F, Berry, E.A. | 登録日 | 2014-07-21 | 公開日 | 2015-07-29 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (3.2312 Å) | 主引用文献 | Rational Design of Highly Potent and Slow-Binding Cytochrome bc1 Inhibitor as Fungicide by Computational Substitution Optimization Sci Rep, 5, 2015
|
|
4ZSE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4zse by Molmil](/molmil-images/mine/4zse) | |
7R6Z
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7r6z by Molmil](/molmil-images/mine/7r6z) | OXA-48 bound by Compound 3.3 | 分子名称: | 1,2-ETHANEDIOL, 4-amino-5-hydroxynaphthalene-2,7-disulfonic acid, Beta-lactamase, ... | 著者 | Taylor, D.M, Hu, L, Prasad, B.V.V, Sankaran, B, Palzkill, T. | 登録日 | 2021-06-24 | 公開日 | 2021-12-01 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Unique Diacidic Fragments Inhibit the OXA-48 Carbapenemase and Enhance the Killing of Escherichia coli Producing OXA-48. Acs Infect Dis., 7, 2021
|
|
3UW5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3uw5 by Molmil](/molmil-images/mine/3uw5) | Crystal structure of the BIR domain of MLIAP bound to GDC0152 | 分子名称: | Baculoviral IAP repeat-containing protein 7, Baculoviral IAP repeat-containing protein 4, GDC-0152, ... | 著者 | Maurer, B, Hymowitz, S.G. | 登録日 | 2011-11-30 | 公開日 | 2012-02-22 | 最終更新日 | 2017-08-02 | 実験手法 | X-RAY DIFFRACTION (1.71 Å) | 主引用文献 | Discovery of a Potent Small-Molecule Antagonist of Inhibitor of Apoptosis (IAP) Proteins and Clinical Candidate for the Treatment of Cancer (GDC-0152). J.Med.Chem., 55, 2012
|
|
6LU7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6lu7 by Molmil](/molmil-images/mine/6lu7) | The crystal structure of COVID-19 main protease in complex with an inhibitor N3 | 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 | 2020-01-26 | 公開日 | 2020-02-05 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.16 Å) | 主引用文献 | Structure of Mprofrom SARS-CoV-2 and discovery of its inhibitors. Nature, 582, 2020
|
|
5MH1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5mh1 by Molmil](/molmil-images/mine/5mh1) | Crystal structure of a DM9 domain containing protein from Crassostrea gigas | 分子名称: | GLYCEROL, MAGNESIUM ION, Natterin-3, ... | 著者 | Weinert, T, Warkentin, E, Pang, G. | 登録日 | 2016-11-22 | 公開日 | 2017-12-27 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | 主引用文献 | DM9 Domain Containing Protein Functions As a Pattern Recognition Receptor with Broad Microbial Recognition Spectrum. Front Immunol, 8, 2017
|
|
5MH3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5mh3 by Molmil](/molmil-images/mine/5mh3) | |
5MH2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5mh2 by Molmil](/molmil-images/mine/5mh2) | |
7QJU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7qju by Molmil](/molmil-images/mine/7qju) | EED in complex with PRC2 allosteric inhibitor compound 7 | 分子名称: | CHLORIDE ION, Histone-lysine N-methyltransferase EZH2, N-(2,3-dihydro-1-benzofuran-4-ylmethyl)-8-[4-[(dimethylamino)methyl]phenyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine, ... | 著者 | Zhao, K, Zhao, M, Luo, X, Zhang, H, Scheufler, C. | 登録日 | 2021-12-17 | 公開日 | 2022-04-13 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Discovery of the Clinical Candidate MAK683: An EED-Directed, Allosteric, and Selective PRC2 Inhibitor for the Treatment of Advanced Malignancies. J.Med.Chem., 65, 2022
|
|
7QJG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7qjg by Molmil](/molmil-images/mine/7qjg) | EED in complex with PRC2 allosteric inhibitor compound 6 | 分子名称: | CHLORIDE ION, Histone-lysine N-methyltransferase EZH2, N-(2,3-dihydro-1-benzofuran-7-ylmethyl)-8-[4-[(dimethylamino)methyl]phenyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine, ... | 著者 | Zhao, K, Zhao, M, Luo, X, Zhang, H, Scheufler, C. | 登録日 | 2021-12-16 | 公開日 | 2022-04-13 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Discovery of the Clinical Candidate MAK683: An EED-Directed, Allosteric, and Selective PRC2 Inhibitor for the Treatment of Advanced Malignancies. J.Med.Chem., 65, 2022
|
|
7QK4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7qk4 by Molmil](/molmil-images/mine/7qk4) | EED in complex with PRC2 allosteric inhibitor compound 22 (MAK683) | 分子名称: | CHLORIDE ION, Histone-lysine N-methyltransferase EZH2, N-[(5-fluoranyl-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methylpyridin-3-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine, ... | 著者 | Zhao, K, Zhao, M, Luo, X, Zhang, H, Scheufler, C. | 登録日 | 2021-12-17 | 公開日 | 2022-04-13 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.602 Å) | 主引用文献 | Discovery of the Clinical Candidate MAK683: An EED-Directed, Allosteric, and Selective PRC2 Inhibitor for the Treatment of Advanced Malignancies. J.Med.Chem., 65, 2022
|
|
5MH0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5mh0 by Molmil](/molmil-images/mine/5mh0) | |
8D36
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8d36 by Molmil](/molmil-images/mine/8d36) | |
8DAO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8dao by Molmil](/molmil-images/mine/8dao) | Crystal structure of SARS-CoV-2 spike stem fusion peptide in complex with neutralizing antibody COV44-79 | 分子名称: | COV44-79 heavy chain constant domain, COV44-79 heavy chain variable domain, COV44-79 light chain constant domain, ... | 著者 | Lin, T.H, Lee, C.C.D, Yuan, M, Wilson, I.A. | 登録日 | 2022-06-13 | 公開日 | 2022-07-27 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Broadly neutralizing antibodies target the coronavirus fusion peptide. Science, 377, 2022
|
|
8D6Z
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8d6z by Molmil](/molmil-images/mine/8d6z) | Crystal structure of SARS-CoV-2 spike stem fusion peptide in complex with neutralizing antibody COV91-27 | 分子名称: | Neutralizing antibody COV91-27 heavy chain, Neutralizing antibody COV91-27 light chain, Spike protein S2 fusion peptide | 著者 | Lee, C.C.D, Lin, T.H, Yuan, M, Wilson, I.A. | 登録日 | 2022-06-06 | 公開日 | 2022-07-27 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Broadly neutralizing antibodies target the coronavirus fusion peptide. Science, 377, 2022
|
|
6K9N
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6k9n by Molmil](/molmil-images/mine/6k9n) | Rice_OTUB_like_catalytic domain | 分子名称: | Ubiquitin thioesterase | 著者 | Lu, L.N, Liu, L, Wang, F. | 登録日 | 2019-06-17 | 公開日 | 2020-06-24 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.27 Å) | 主引用文献 | Met1-specific motifs conserved in OTUB subfamily of green plants enable rice OTUB1 to hydrolyse Met1 ubiquitin chains Nat Commun, 13, 2022
|
|
4DGX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4dgx by Molmil](/molmil-images/mine/4dgx) | LEOPARD Syndrome-Associated SHP2/Y279C mutant | 分子名称: | Tyrosine-protein phosphatase non-receptor type 11 | 著者 | Yu, Z.H, Xu, J, Walls, C.D, Chen, L, Zhang, S, Wu, L, Wang, L.N, Liu, S.J, Zhang, Z.Y. | 登録日 | 2012-01-27 | 公開日 | 2013-03-06 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Structural and Mechanistic Insights into LEOPARD Syndrome-Associated SHP2 Mutations. J.Biol.Chem., 288, 2013
|
|
8DTX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8dtx by Molmil](/molmil-images/mine/8dtx) | Crystal structure of SARS-CoV-2 spike stem helix peptide in complex with neutralizing antibody COV89-22 | 分子名称: | COV89-22 heavy chain, COV89-22 light chain, Spike protein S2' stem helix peptide | 著者 | Lin, T.H, Lee, C.C.D, Wilson, I.A. | 登録日 | 2022-07-26 | 公開日 | 2022-11-23 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Rare, convergent antibodies targeting the stem helix broadly neutralize diverse betacoronaviruses. Cell Host Microbe, 31, 2023
|
|
8DTR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8dtr by Molmil](/molmil-images/mine/8dtr) | Crystal structure of SARS-CoV-2 spike stem helix peptide in complex with neutralizing antibody COV30-14 | 分子名称: | COV30-14 heavy chain, COV30-14 light chain, Spike protein S2' stem helix peptide | 著者 | Lee, C.C.D, Lin, T.H, Wilson, I.A. | 登録日 | 2022-07-26 | 公開日 | 2022-11-23 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Rare, convergent antibodies targeting the stem helix broadly neutralize diverse betacoronaviruses. Cell Host Microbe, 31, 2023
|
|