6YUF
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![BU of 6yuf by Molmil](/molmil-images/mine/6yuf) | Cohesin complex with loader gripping DNA | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, Cohesin subunit rad21, ... | 著者 | Higashi, T.L, Eickhoff, P, Sousa, J.S, Costa, A, Uhlmann, F. | 登録日 | 2020-04-27 | 公開日 | 2020-08-19 | 最終更新日 | 2024-05-22 | 実験手法 | ELECTRON MICROSCOPY (3.94 Å) | 主引用文献 | A Structure-Based Mechanism for DNA Entry into the Cohesin Ring. Mol.Cell, 79, 2020
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5MIK
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![BU of 5mik by Molmil](/molmil-images/mine/5mik) | X-ray structure of carboplatin-encapsulated horse spleen apoferritin (rotating anode data) | 分子名称: | CADMIUM ION, CHLORIDE ION, Ferritin light chain, ... | 著者 | Pontillo, N, Ferraro, G, Helliwell, J.R, Merlino, A. | 登録日 | 2016-11-28 | 公開日 | 2017-03-15 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | 主引用文献 | X-ray Structure of the Carboplatin-Loaded Apo-Ferritin Nanocage. ACS Med Chem Lett, 8, 2017
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6YX2
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![BU of 6yx2 by Molmil](/molmil-images/mine/6yx2) | Crystal structure of SHANK1 PDZ in complex with a peptide-small molecule hybrid | 分子名称: | 4-[[(~{E})-5-oxidanylidenepentanoyldiazenyl]methyl]benzoic acid, PWW-THR-ARG-LEU, SH3 and multiple ankyrin repeat domains protein 1 | 著者 | Hegedus, Z, Hobor, F, Shoemark, D.K, Celis, S, Lian, L.J, Trinh, C.H, Sessions, R.B, Edwards, T.A, Wilson, A.J. | 登録日 | 2020-04-30 | 公開日 | 2021-01-20 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | 主引用文献 | Identification of beta-strand mediated protein-protein interaction inhibitors using ligand-directed fragment ligation. Chem Sci, 12, 2021
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5MBC
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![BU of 5mbc by Molmil](/molmil-images/mine/5mbc) | Structure of a bacterial light-regulated adenylyl cylcase | 分子名称: | Beta subunit of photoactivated adenylyl cyclase, CHLORIDE ION, FLAVIN MONONUCLEOTIDE | 著者 | Lindner, R, Hartmann, E, Tarnawski, M, Winkler, A, Frey, D, Reinstein, J, Meinhart, A, Schlichting, I. | 登録日 | 2016-11-08 | 公開日 | 2017-04-05 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Photoactivation Mechanism of a Bacterial Light-Regulated Adenylyl Cyclase. J. Mol. Biol., 429, 2017
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6ZGP
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![BU of 6zgp by Molmil](/molmil-images/mine/6zgp) | Crystal structure of the quaternary ammonium Rieske monooxygenase CntA in complex with inhibitor MMV12 (MMV020670) | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Carnitine monooxygenase oxygenase subunit, FE (III) ION, ... | 著者 | Quareshy, M, Shanmugam, M, Bugg, T.D.H, Cameron, A, Chen, Y. | 登録日 | 2020-06-19 | 公開日 | 2020-11-18 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | 主引用文献 | Structural basis of carnitine monooxygenase CntA substrate specificity, inhibition, and intersubunit electron transfer. J.Biol.Chem., 296, 2020
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8E4J
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5MJB
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![BU of 5mjb by Molmil](/molmil-images/mine/5mjb) | Kinase domain of human EphB1, G703C mutant, covalently bound to a quinazoline-based inhibitor | 分子名称: | 2-chloranyl-~{N}-[4-[(2-chloranyl-5-oxidanyl-phenyl)amino]quinazolin-7-yl]ethanamide, Ephrin type-B receptor 1, SULFATE ION | 著者 | Kung, A, Schimpl, M, Chen, Y.-C, Overman, R.C, Zhang, C. | 登録日 | 2016-11-30 | 公開日 | 2017-05-17 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.23 Å) | 主引用文献 | A Chemical-Genetic Approach to Generate Selective Covalent Inhibitors of Protein Kinases. ACS Chem. Biol., 12, 2017
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6Z08
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![BU of 6z08 by Molmil](/molmil-images/mine/6z08) | Crystal structure of cAMP-dependent protein kinase A (CHO PKA) in complex with 4-Nitrophenol | 分子名称: | P-NITROPHENOL, cAMP-dependent protein kinase catalytic subunit alpha | 著者 | Oebbeke, M, Siefker, C, Heine, A, Klebe, G. | 登録日 | 2020-05-08 | 公開日 | 2020-12-09 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.49 Å) | 主引用文献 | Fragment Binding to Kinase Hinge: If Charge Distribution and Local pK a Shifts Mislead Popular Bioisosterism Concepts. Angew.Chem.Int.Ed.Engl., 60, 2021
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6YU2
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![BU of 6yu2 by Molmil](/molmil-images/mine/6yu2) | Crystal structure of MhsT in complex with L-isoleucine | 分子名称: | ISOLEUCINE, SODIUM ION, Sodium-dependent transporter, ... | 著者 | Focht, D, Neumann, C, Lyons, J, Eguskiza Bilbao, A, Blunck, R, Malinauskaite, L, Schwarz, I.O, Javitch, J.A, Quick, M, Nissen, P. | 登録日 | 2020-04-25 | 公開日 | 2020-07-15 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | 主引用文献 | A non-helical region in transmembrane helix 6 of hydrophobic amino acid transporter MhsT mediates substrate recognition. Embo J., 40, 2021
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5ML9
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![BU of 5ml9 by Molmil](/molmil-images/mine/5ml9) | Cocrystal structure of Fc gamma receptor IIIa interacting with Affimer F4, a specific binding protein which blocks IgG binding to the receptor. | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Affimer F4 with specificity for Fc gamma receptor IIIa, CHLORIDE ION, ... | 著者 | Robinson, J.I, Tomlinson, D.C, Baxter, E.W, Owen, R.L, Thomsen, M, Win, S.J, Nettleship, J.E, Tiede, C, Foster, R.J, Waterhouse, M.P, Harris, S.A, Owens, R.J, Fishwick, C.W.G, Goldman, A, McPherson, M.J, Morgan, A.W. | 登録日 | 2016-12-06 | 公開日 | 2017-12-13 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Affimer proteins inhibit immune complex binding to Fc gamma RIIIa with high specificity through competitive and allosteric modes of action. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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8V1F
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![BU of 8v1f by Molmil](/molmil-images/mine/8v1f) | TMPRSS2 complexed with the noncovalent inhibitor 6-amidino-2-napthol | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Fraser, B.J, Dong, A, Kutera, M, Seitova, A, Li, Y, Hutchinson, A, Edwards, A, Benard, F, Halabelian, L, Arrowsmith, C, Structural Genomics Consortium (SGC) | 登録日 | 2023-11-20 | 公開日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.19 Å) | 主引用文献 | TMPRSS2 complexed with the noncovalent inhibitor 6-amidino-2-napthol To Be Published
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6WD7
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![BU of 6wd7 by Molmil](/molmil-images/mine/6wd7) | Cryo-EM of elongating ribosome with EF-Tu*GTP elucidates tRNA proofreading (Cognate Structure II-D) | 分子名称: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | 著者 | Loveland, A.B, Demo, G, Korostelev, A.A. | 登録日 | 2020-03-31 | 公開日 | 2020-07-08 | 最終更新日 | 2024-03-06 | 実験手法 | ELECTRON MICROSCOPY (3.9 Å) | 主引用文献 | Cryo-EM of elongating ribosome with EF-Tu•GTP elucidates tRNA proofreading. Nature, 584, 2020
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6WMT
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![BU of 6wmt by Molmil](/molmil-images/mine/6wmt) | F. tularensis RNAPs70-(MglA-SspA)-ppGpp-PigR-iglA DNA complex | 分子名称: | DNA NT-strand, DNA NT-strand downstream, DNA T-strand, ... | 著者 | Travis, B.A, Brennan, R.G, Schumacher, M.A. | 登録日 | 2020-04-21 | 公開日 | 2020-11-11 | 最終更新日 | 2024-03-06 | 実験手法 | ELECTRON MICROSCOPY (4.43 Å) | 主引用文献 | Structural Basis for Virulence Activation of Francisella tularensis. Mol.Cell, 81, 2021
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5MN2
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![BU of 5mn2 by Molmil](/molmil-images/mine/5mn2) | Cocrystal structure of Fc gamma receptor IIIa interacting with Affimer G3, a specific binding protein which blocks IgG binding to the receptor. | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Affimer G3, DI(HYDROXYETHYL)ETHER, ... | 著者 | Robinson, J.I, Owen, R.L, Tomlinson, D.C, Baxter, E.W, Nettleship, J.E, Waterhouse, M.P, Harris, S.A, Owens, R.J, McPherson, M.J, Morgan, A.W, Tiede, C, Goldman, A, Thomsen, M. | 登録日 | 2016-12-12 | 公開日 | 2017-12-13 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Affimer proteins inhibit immune complex binding to Fc gamma RIIIa with high specificity through competitive and allosteric modes of action. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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8VQ3
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![BU of 8vq3 by Molmil](/molmil-images/mine/8vq3) | CDK2-CyclinE1 in complex with allosteric inhibitor I-198. | 分子名称: | (8R)-N-[(2S,3R)-3-(cyclohexylmethoxy)-1-(morpholin-4-yl)-1-oxobutan-2-yl]-2-[(1S)-2,2-dimethylcyclopropane-1-carbonyl]-6-(1,3-thiazole-5-carbonyl)-2,6-diazaspiro[3.4]octane-8-carboxamide, Cyclin-dependent kinase 2, G1/S-specific cyclin-E1 | 著者 | Hirschi, M, Johnson, E, Zhang, Y, Liu, Z, Brodsky, O, Won, S.J, Nagata, A, Petroski, M.D, Majmudar, J.D, Niessen, S, VanArsdale, T, Gilbert, A.M, Hayward, M.M, Stewart, A.E, Nager, A.R, Melillo, B, Cravatt, B. | 登録日 | 2024-01-17 | 公開日 | 2024-01-31 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | 主引用文献 | Expanding the ligandable proteome by paralog hopping with covalent probes. Biorxiv, 2024
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7U4R
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![BU of 7u4r by Molmil](/molmil-images/mine/7u4r) | Structure of MAP kinase phosphatase 5 in complex with 3,3-dimethyl-1-((9-propyl-5,6-dihydrothieno[2,3-h]quinazolin-2-yl)thio)butan-2-one, an allosteric inhibitor | 分子名称: | 3,3-dimethyl-1-{[(9aM)-9-propyl-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]sulfanyl}butan-2-one, Dual specificity protein phosphatase 10 | 著者 | Gannam, Z.T.K, Jamali, H, Gentzel, E, Lolis, E, Anderson, K.S, Ellman, J.A, Bennett, A.M. | 登録日 | 2022-02-28 | 公開日 | 2022-10-05 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (3.14 Å) | 主引用文献 | Defining the structure-activity relationship for a novel class of allosteric MKP5 inhibitors. Eur.J.Med.Chem., 243, 2022
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5ITZ
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![BU of 5itz by Molmil](/molmil-images/mine/5itz) | |
6ZL4
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![BU of 6zl4 by Molmil](/molmil-images/mine/6zl4) | the structure of glutamate transporter homologue GltTk in complex with the photo switchable compound (cis) | 分子名称: | (2~{S},3~{S})-2-azanyl-3-[[4-[2-(4-methoxyphenyl)hydrazinyl]phenyl]methoxy]butanedioic acid, DECYL-BETA-D-MALTOPYRANOSIDE, DI(HYDROXYETHYL)ETHER, ... | 著者 | Arkhipova, V, Slotboom, D.J, Guskov, A. | 登録日 | 2020-06-30 | 公開日 | 2021-01-27 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Structural Aspects of Photopharmacology: Insight into the Binding of Photoswitchable and Photocaged Inhibitors to the Glutamate Transporter Homologue. J.Am.Chem.Soc., 143, 2021
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5MJ1
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![BU of 5mj1 by Molmil](/molmil-images/mine/5mj1) | Extracellular domain of human CD83 - rhombohedral crystal form | 分子名称: | CD83 antigen, DI(HYDROXYETHYL)ETHER | 著者 | Klingl, S, Egerer-Sieber, C, Schmid, B, Weiler, S, Muller, Y.A. | 登録日 | 2016-11-29 | 公開日 | 2017-03-29 | 最終更新日 | 2018-03-07 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Crystal Structure of the Extracellular Domain of the Human Dendritic Cell Surface Marker CD83. J. Mol. Biol., 429, 2017
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5MJA
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![BU of 5mja by Molmil](/molmil-images/mine/5mja) | Kinase domain of human EphB1 bound to a quinazoline-based inhibitor | 分子名称: | 2-chloranyl-~{N}-[4-[(2-chloranyl-5-oxidanyl-phenyl)amino]quinazolin-7-yl]ethanamide, Ephrin type-B receptor 1, SULFATE ION | 著者 | Kung, A, Schimpl, M, Chen, Y.-C, Overman, R.C, Zhang, C. | 登録日 | 2016-11-30 | 公開日 | 2017-05-17 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.14 Å) | 主引用文献 | A Chemical-Genetic Approach to Generate Selective Covalent Inhibitors of Protein Kinases. ACS Chem. Biol., 12, 2017
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5MRN
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![BU of 5mrn by Molmil](/molmil-images/mine/5mrn) | Arabidopsis thaliana IspD Glu258Ala Mutant | 分子名称: | 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase, chloroplastic, CADMIUM ION, ... | 著者 | Schwab, A, Illarionov, B, Frank, A, Kunfermann, A, Seet, M, Bacher, A, Witschel, M, Fischer, M, Groll, M, Diederich, F. | 登録日 | 2016-12-23 | 公開日 | 2017-07-19 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Mechanism of Allosteric Inhibition of the Enzyme IspD by Three Different Classes of Ligands. ACS Chem. Biol., 12, 2017
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6YU3
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![BU of 6yu3 by Molmil](/molmil-images/mine/6yu3) | Crystal structure of MhsT in complex with L-phenylalanine | 分子名称: | DODECYL-BETA-D-MALTOSIDE, GLYCEROL, PHENYLALANINE, ... | 著者 | Focht, D, Neumann, C, Lyons, J, Eguskiza Bilbao, A, Blunck, R, Malinauskaite, L, Schwarz, I.O, Javitch, J.A, Quick, M, Nissen, P. | 登録日 | 2020-04-25 | 公開日 | 2020-07-15 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | A non-helical region in transmembrane helix 6 of hydrophobic amino acid transporter MhsT mediates substrate recognition. Embo J., 40, 2021
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7TM3
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![BU of 7tm3 by Molmil](/molmil-images/mine/7tm3) | Structure of the rabbit 80S ribosome stalled on a 2-TMD Rhodopsin intermediate in complex with the multipass translocon | 分子名称: | 28S ribosomal RNA, 5.8S ribosomal RNA, 5S ribosomal RNA, ... | 著者 | Kim, M.K, Lewis, A.J.O, Keenan, R.J, Hegde, R.S. | 登録日 | 2022-01-19 | 公開日 | 2022-10-19 | 最終更新日 | 2024-06-05 | 実験手法 | ELECTRON MICROSCOPY (3.25 Å) | 主引用文献 | Mechanism of an intramembrane chaperone for multipass membrane proteins. Nature, 611, 2022
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5MTR
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![BU of 5mtr by Molmil](/molmil-images/mine/5mtr) | Crystal structure of M. tuberculosis InhA inhibited by PT512 | 分子名称: | 2-[4-[(4-cyclopentyl-1,2,3-triazol-1-yl)methyl]-2-oxidanyl-phenoxy]benzenecarbonitrile, CHLORIDE ION, Enoyl-[acyl-carrier-protein] reductase [NADH], ... | 著者 | Eltschkner, S, Pschibul, A, Spagnuolo, L.A, Yu, W, Tonge, P.J, Kisker, C. | 登録日 | 2017-01-10 | 公開日 | 2017-02-15 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Evaluating the Contribution of Transition-State Destabilization to Changes in the Residence Time of Triazole-Based InhA Inhibitors. J. Am. Chem. Soc., 139, 2017
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6X5E
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![BU of 6x5e by Molmil](/molmil-images/mine/6x5e) | |