4MK8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4mk8 by Molmil](/molmil-images/mine/4mk8) | Hepatitis C Virus polymerase NS5B genotype 1b (BK) in complex with inhibitor 4 (N-(4-{2-[3-tert-butyl-2-methoxy-5-(2-oxo-1,2-dihydropyridin-3-yl)phenyl]ethyl}phenyl)methanesulfonamide) | 分子名称: | DIMETHYL SULFOXIDE, GLYCEROL, N-(4-{2-[3-tert-butyl-2-methoxy-5-(2-oxo-1,2-dihydropyridin-3-yl)phenyl]ethyl}phenyl)methanesulfonamide, ... | 著者 | Harris, S.F, Wong, A. | 登録日 | 2013-09-04 | 公開日 | 2013-10-09 | 最終更新日 | 2014-01-15 | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | 主引用文献 | Discovery of a Novel Series of Potent Non-Nucleoside Inhibitors of Hepatitis C Virus NS5B. J.Med.Chem., 56, 2013
|
|
6B3M
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6b3m by Molmil](/molmil-images/mine/6b3m) | The crystal structure of a broadly-reactive human anti-hemagglutinin stalk antibody (70-1F02) in complex with H5 hemagglutinin | 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, 70-1F02 Fab Heavy Chain, ... | 著者 | Shore, D.A, Yang, H, Stevens, J. | 登録日 | 2017-09-22 | 公開日 | 2018-06-13 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (3.92 Å) | 主引用文献 | Broadly Reactive Human Monoclonal Antibodies Elicited following Pandemic H1N1 Influenza Virus Exposure Protect Mice against Highly Pathogenic H5N1 Challenge. J. Virol., 92, 2018
|
|
3O50
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3o50 by Molmil](/molmil-images/mine/3o50) | Crystal structure of benzamide 9 bound to AuroraA | 分子名称: | N-{3-methyl-4-[(3-pyrimidin-4-ylpyridin-2-yl)oxy]phenyl}-3-(trifluoromethyl)benzamide, cDNA FLJ58295, highly similar to Serine/threonine-protein kinase 6 | 著者 | Huang, X. | 登録日 | 2010-07-27 | 公開日 | 2010-08-18 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Discovery of a potent, selective, and orally bioavailable pyridinyl-pyrimidine phthalazine aurora kinase inhibitor. J.Med.Chem., 53, 2010
|
|
6BFP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6bfp by Molmil](/molmil-images/mine/6bfp) | Bovine trypsin bound to potent inhibitor | 分子名称: | 3-{2-[(4-carbamimidoylphenyl)carbamoyl]-4-ethenyl-5-methoxyphenyl}-6-[(cyclopropylmethyl)carbamoyl]pyridine-2-carboxylic acid, CALCIUM ION, Cationic trypsin | 著者 | Partridge, J.R, Choy, R.M. | 登録日 | 2017-10-26 | 公開日 | 2018-10-31 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.292 Å) | 主引用文献 | Structures of full-length plasma kallikrein bound to highly specific inhibitors describe a new mode of targeted inhibition. J.Struct.Biol., 206, 2019
|
|
7K3S
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7k3s by Molmil](/molmil-images/mine/7k3s) | |
6ELA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ela by Molmil](/molmil-images/mine/6ela) | Crystal structure of MMP12 in complex with inhibitor BE4. | 分子名称: | (2~{S})-2-[2-[4-(4-methoxyphenyl)phenyl]sulfanylphenyl]pentanedioic acid, 1,2-ETHANEDIOL, 1,4-DIETHYLENE DIOXIDE, ... | 著者 | Ciccone, L, Tepshi, L, Nuti, E, Rossello, A, Stura, E.A. | 登録日 | 2017-09-28 | 公開日 | 2018-05-16 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.485 Å) | 主引用文献 | Development of Thioaryl-Based Matrix Metalloproteinase-12 Inhibitors with Alternative Zinc-Binding Groups: Synthesis, Potentiometric, NMR, and Crystallographic Studies. J. Med. Chem., 61, 2018
|
|
3NSI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3nsi by Molmil](/molmil-images/mine/3nsi) | |
3NSK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3nsk by Molmil](/molmil-images/mine/3nsk) | |
6ANP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6anp by Molmil](/molmil-images/mine/6anp) | CAT192 Fab Insertion Mutant H5/L0 | 分子名称: | CAT192 Fab Heavy chain, CAT192 Fab Light chain | 著者 | Lord, D.M, Wei, R.R. | 登録日 | 2017-08-14 | 公開日 | 2018-01-31 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | 主引用文献 | Structure-based engineering to restore high affinity binding of an isoform-selective anti-TGF beta 1 antibody. MAbs, 10, 2018
|
|
4LI5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4li5 by Molmil](/molmil-images/mine/4li5) | EGFR-K IN COMPLEX WITH N-[3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]-4-methoxy-phenyl] Prop-2-enamide | 分子名称: | Epidermal growth factor receptor, N-(3-{[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino}-4-methoxyphenyl)propanamide, SODIUM ION | 著者 | Debreczeni, J.E, Seiffert, G.B, Kiefersauer, R, Augustin, M, Nagel, S, Ward, R, Anderton, M, Ashton, S, Bethel, P, Box, M, Butterworth, S, Colclough, N, Chroley, C, Chuaqui, C, Cross, D, Eberlein, C, Finlay, R, Hill, G, Grist, M, Klinowska, T, Lane, C, Martin, S, Orme, J, Smith, P, Wang, F, Waring, M. | 登録日 | 2013-07-02 | 公開日 | 2013-08-28 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.64 Å) | 主引用文献 | Structure- and Reactivity-Based Development of Covalent Inhibitors of the Activating and Gatekeeper Mutant Forms of the Epidermal Growth Factor Receptor (EGFR). J.Med.Chem., 56, 2013
|
|
6AOL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6aol by Molmil](/molmil-images/mine/6aol) | Structure of molecular chaperone Grp94 bound to selective inhibitor methyl 3-chloro-2-(2-{2-[(4-fluorophenyl)methyl]phenyl}ethyl)-4,6-dihydroxybenzoate | 分子名称: | 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, Endoplasmin, methyl 3-chloro-2-(2-{2-[(4-fluorophenyl)methyl]phenyl}ethyl)-4,6-dihydroxybenzoate | 著者 | Lieberman, R.L, Huard, D.J.E. | 登録日 | 2017-08-16 | 公開日 | 2017-10-11 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.764 Å) | 主引用文献 | Second Generation Grp94-Selective Inhibitors Provide Opportunities for the Inhibition of Metastatic Cancer. Chemistry, 23, 2017
|
|
6EL7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6el7 by Molmil](/molmil-images/mine/6el7) | Glucocorticoid Receptor in complex with compound 31 | 分子名称: | 1,2-ETHANEDIOL, Glucocorticoid receptor, Nuclear receptor coactivator 2, ... | 著者 | Edman, K, Wissler, L. | 登録日 | 2017-09-28 | 公開日 | 2018-02-21 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.18 Å) | 主引用文献 | Discovery of a Novel Oral Glucocorticoid Receptor Modulator (AZD9567) with Improved Side Effect Profile. J. Med. Chem., 61, 2018
|
|
6ARV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6arv by Molmil](/molmil-images/mine/6arv) | Crystal structure of CARM1 with Compound 2 and SAH | 分子名称: | (2R)-1-amino-3-{3-[4-(morpholin-4-yl)-1-(propan-2-yl)-1H-pyrazolo[3,4-b]pyridin-6-yl]phenoxy}propan-2-ol, GLYCEROL, Histone-arginine methyltransferase CARM1, ... | 著者 | Boriack-Sjodin, P.A, Jin, L. | 登録日 | 2017-08-23 | 公開日 | 2018-02-07 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Identification of a CARM1 Inhibitor with Potent In Vitro and In Vivo Activity in Preclinical Models of Multiple Myeloma. Sci Rep, 7, 2017
|
|
6B9O
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6b9o by Molmil](/molmil-images/mine/6b9o) | Structure of GH 38 Jack Bean alpha-mannosidase | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-mannosidase from Canavalia ensiformis (jack bean), ZINC ION, ... | 著者 | Howard, E, Cousido-Siah, A, Lepage, M, Bodlenner, A, Mitschler, A, Meli, A, De Riccardis, F, Izzo, I, Podjarny, A, Compain, P. | 登録日 | 2017-10-11 | 公開日 | 2018-09-26 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.841 Å) | 主引用文献 | Structural Basis of Outstanding Multivalent Effects in Jack Bean alpha-Mannosidase Inhibition. Angew. Chem. Int. Ed. Engl., 57, 2018
|
|
4EG1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4eg1 by Molmil](/molmil-images/mine/4eg1) | Trypanosoma brucei methionyl-tRNA synthetase in complex with substrate Methionine | 分子名称: | GLYCEROL, METHIONINE, Methionyl-tRNA synthetase, ... | 著者 | Koh, C.Y, Kim, J.E, Shibata, S, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J. | 登録日 | 2012-03-30 | 公開日 | 2012-09-12 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Distinct States of Methionyl-tRNA Synthetase Indicate Inhibitor Binding by Conformational Selection. Structure, 20, 2012
|
|
4L0B
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4l0b by Molmil](/molmil-images/mine/4l0b) | Tankyrase 2 in complex with 4'-dimethylamino flavone | 分子名称: | 2-[4-(dimethylamino)phenyl]-4H-chromen-4-one, GLYCEROL, SULFATE ION, ... | 著者 | Narwal, M, Haikarainen, T, Lehtio, L. | 登録日 | 2013-05-31 | 公開日 | 2013-10-30 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Discovery of tankyrase inhibiting flavones with increased potency and isoenzyme selectivity. J.Med.Chem., 56, 2013
|
|
4L0V
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4l0v by Molmil](/molmil-images/mine/4l0v) | Tankyrase 2 in complex with 4'-chloro flavone | 分子名称: | 2-(4-chlorophenyl)-4H-chromen-4-one, GLYCEROL, SULFATE ION, ... | 著者 | Narwal, M, Haikarainen, T, Lehtio, L. | 登録日 | 2013-06-01 | 公開日 | 2013-10-30 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Discovery of tankyrase inhibiting flavones with increased potency and isoenzyme selectivity. J.Med.Chem., 56, 2013
|
|
7KKJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7kkj by Molmil](/molmil-images/mine/7kkj) | Structure of anti-SARS-CoV-2 Spike nanobody mNb6 | 分子名称: | CHLORIDE ION, SULFATE ION, Synthetic nanobody mNb6 | 著者 | Schoof, M.S, Faust, B.F, Saunders, R.A, Sangwan, S, Rezelj, V, Hoppe, N, Boone, M, Billesboelle, C.B, Puchades, C, Azumaya, C.M, Kratochvil, H.T, Zimanyi, M, Desphande, I, Liang, J, Dickinson, S, Nguyen, H.C, Chio, C.M, Merz, G.E, Thompson, M.C, Diwanji, D, Schaefer, K, Anand, A.A, Dobzinski, N, Zha, B.S, Simoneau, C.R, Leon, K, White, K.M, Chio, U.S, Gupta, M, Jin, M, Li, F, Liu, Y, Zhang, K, Bulkley, D, Sun, M, Smith, A.M, Rizo, A.N, Moss, F, Brilot, A.F, Pourmal, S, Trenker, R, Pospiech, T, Gupta, S, Barsi-Rhyne, B, Belyy, V, Barile-Hill, A.W, Nock, S, Liu, Y, Krogan, N.J, Ralston, C.Y, Swaney, D.L, Garcia-Sastre, A, Ott, M, Vignuzzi, M, Walter, P, Manglik, A, QCRG Structural Biology Consortium | 登録日 | 2020-10-27 | 公開日 | 2020-11-25 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | An ultrapotent synthetic nanobody neutralizes SARS-CoV-2 by stabilizing inactive Spike. Science, 370, 2020
|
|
6EMR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6emr by Molmil](/molmil-images/mine/6emr) | |
6E4H
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6e4h by Molmil](/molmil-images/mine/6e4h) | Solution NMR Structure of the Colied-coil PALB2 Homodimer | 分子名称: | Partner and localizer of BRCA2 | 著者 | Song, F, Li, M, Liu, G, Swapna, G.V.T, Xia, B, Bunting, S.F, Montelione, G.T. | 登録日 | 2018-07-17 | 公開日 | 2018-10-17 | 最終更新日 | 2024-05-15 | 実験手法 | SOLUTION NMR | 主引用文献 | Antiparallel Coiled-Coil Interactions Mediate the Homodimerization of the DNA Damage-Repair Protein PALB2. Biochemistry, 57, 2018
|
|
4L2X
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4l2x by Molmil](/molmil-images/mine/4l2x) | Crystal structure of human FPPS in complex with magnesium, CL02134, and inorganic pyrophosphate | 分子名称: | ({[6-(4-cyclopropylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}methanediyl)bis(phosphonic acid), Farnesyl pyrophosphate synthase, MAGNESIUM ION, ... | 著者 | Park, J, Leung, C.-Y, Tsantrizos, Y.S, Berghuis, A.M. | 登録日 | 2013-06-04 | 公開日 | 2014-01-01 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | 主引用文献 | Thienopyrimidine Bisphosphonate (ThPBP) Inhibitors of the Human Farnesyl Pyrophosphate Synthase: Optimization and Characterization of the Mode of Inhibition. J.Med.Chem., 56, 2013
|
|
3O6O
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3o6o by Molmil](/molmil-images/mine/3o6o) | Crystal Structure of the N-terminal domain of an HSP90 from Trypanosoma Brucei, Tb10.26.1080 in the presence of an the inhibitor BIIB021 | 分子名称: | 6-chloro-9-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-9H-purin-2-amine, Heat shock protein 83, PENTAETHYLENE GLYCOL | 著者 | Wernimont, A.K, Hutchinson, A, Sullivan, H, Weadge, J, Li, Y, Kozieradzki, I, Cossar, D, Bochkarev, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Wyatt, P, Fairlamb, A.H, Ferguson, M.A.J, Thompson, S, MacKenzie, C, Hui, R, Pizarro, J.C, Hills, T, Structural Genomics Consortium (SGC) | 登録日 | 2010-07-29 | 公開日 | 2010-08-18 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Exploring the Trypanosoma brucei Hsp83 potential as a target for structure guided drug design. PLoS Negl Trop Dis, 7, 2013
|
|
4ELB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4elb by Molmil](/molmil-images/mine/4elb) | Structure-activity relationship guides enantiomeric preference among potent inhibitors of B. anthracis dihydrofolate reductase | 分子名称: | (2E)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1R)-1-phenylphthalazin-2(1H)-yl]prop-2-en-1-one, (2E)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1S)-1-phenylphthalazin-2(1H)-yl]prop-2-en-1-one, CALCIUM ION, ... | 著者 | Bourne, C.R, Barrow, W.W. | 登録日 | 2012-04-10 | 公開日 | 2013-02-13 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Structure-activity relationship for enantiomers of potent inhibitors of B. anthracis dihydrofolate reductase. Biochim.Biophys.Acta, 1834, 2013
|
|
6AZ1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6az1 by Molmil](/molmil-images/mine/6az1) | Cryo-EM structure of the small subunit of Leishmania ribosome bound to paromomycin | 分子名称: | E-site tRNA, LACK1, MAGNESIUM ION, ... | 著者 | Shalev-Benami, M, Zhang, Y, Rozenberg, H, Matzov, D, Zimmerman, E, Bashan, A, Jaffe, C.L, Yonath, A, Skiniotis, G. | 登録日 | 2017-09-09 | 公開日 | 2017-12-06 | 最終更新日 | 2019-07-03 | 実験手法 | ELECTRON MICROSCOPY (2.7 Å) | 主引用文献 | Atomic resolution snapshot of Leishmania ribosome inhibition by the aminoglycoside paromomycin. Nat Commun, 8, 2017
|
|
4EM7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4em7 by Molmil](/molmil-images/mine/4em7) | |