5IZA
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![BU of 5iza by Molmil](/molmil-images/mine/5iza) | Protein-protein interaction | 分子名称: | ACE-GLY-GLY-GLU-ALA-LEU-ALA-TRP-NH2, Adenomatous polyposis coli protein | 著者 | Zhao, Y, Jiang, H, Yang, X, Jiang, F, Song, K, Zhang, J. | 登録日 | 2016-03-25 | 公開日 | 2017-07-05 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Peptidomimetic inhibitors of APC-Asef interaction block colorectal cancer migration. Nat. Chem. Biol., 13, 2017
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8V00
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![BU of 8v00 by Molmil](/molmil-images/mine/8v00) | AaegOR10 apo structure | 分子名称: | Odorant receptor OR10, Odorant receptor Orco | 著者 | Zhao, J, del Marmol, J. | 登録日 | 2023-11-16 | 公開日 | 2024-06-19 | 最終更新日 | 2024-07-10 | 実験手法 | ELECTRON MICROSCOPY (2.88 Å) | 主引用文献 | Structural basis of odor sensing by insect heteromeric odorant receptors. Science, 384, 2024
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8V3D
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![BU of 8v3d by Molmil](/molmil-images/mine/8v3d) | AgamOR28 structure bound to 2,4,5-trimethylthiazole | 分子名称: | 2,4,5-trimethyl-1,3-thiazole, OR28, Odorant receptor Orco | 著者 | Zhao, J, del Marmol, J. | 登録日 | 2023-11-27 | 公開日 | 2024-06-19 | 最終更新日 | 2024-07-10 | 実験手法 | ELECTRON MICROSCOPY (2.95 Å) | 主引用文献 | Structural basis of odor sensing by insect heteromeric odorant receptors. Science, 384, 2024
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5IW4
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![BU of 5iw4 by Molmil](/molmil-images/mine/5iw4) | |
8BN6
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![BU of 8bn6 by Molmil](/molmil-images/mine/8bn6) | Pseudomonas aeruginosa DNA gyrase B 24kDa ATPase subdomain complexed with EBL3021 | 分子名称: | 2-[[3,4-bis(chloranyl)-5-methyl-1~{H}-pyrrol-2-yl]carbonylamino]-4-morpholin-4-yl-1,3-benzothiazole-6-carboxylic acid, CALCIUM ION, DNA gyrase subunit B | 著者 | Durcik, M, Zega, A, Zidar, N, Ilas, J, Tomasic, T, Masic, L.P, Mundy, J.E.A, Stevenson, C.E.M, Burton, N, Lawson, D.M, Maxwell, A, Kikelj, D. | 登録日 | 2022-11-12 | 公開日 | 2023-03-29 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | New Dual Inhibitors of Bacterial Topoisomerases with Broad-Spectrum Antibacterial Activity and In Vivo Efficacy against Vancomycin-Intermediate Staphylococcus aureus . J.Med.Chem., 66, 2023
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5NHL
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![BU of 5nhl by Molmil](/molmil-images/mine/5nhl) | Human Erk2 with an Erk1/2 inhibitor | 分子名称: | (6~{R})-5-(2-methoxyethyl)-6-methyl-2-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-6,7-dihydro-1~{H}-pyrrolo[3,2-c]pyridin-4-one, Mitogen-activated protein kinase 1, SULFATE ION | 著者 | Debreczeni, J.E, Ward, R.A, Bethel, P, Cook, C, Davies, E, Eckersley, K, Fairley, G, Feron, L, Flemington, V, Graham, M.A, Greenwood, R, Hopcroft, P, Howard, T.D, Hudson, J, James, M, Jones, C.D, Jones, C.R, Lamont, S, Lewis, R, Lindsay, N, Roberts, K, Simpson, I, StGallay, S, Swallow, S, Tonge, M. | 登録日 | 2017-03-21 | 公開日 | 2017-04-19 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.07 Å) | 主引用文献 | Structure-Guided Discovery of Potent and Selective Inhibitors of ERK1/2 from a Modestly Active and Promiscuous Chemical Start Point. J. Med. Chem., 60, 2017
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5CTY
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![BU of 5cty by Molmil](/molmil-images/mine/5cty) | Crystal structure of the ATP binding domain of S. aureus GyrB complexed with a fragment | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 3-[2-(pyridin-3-yl)-1,3-thiazol-5-yl]-2,7-dihydro-6H-pyrazolo[3,4-b]pyridin-6-one, CHLORIDE ION, ... | 著者 | Andersen, O.A, Barker, J, Cheng, R.K, Kahmann, J, Felicetti, B, Wood, M, Scheich, C, Mesleh, M, Cross, J.B, Zhang, J, Yang, Q, Lippa, B, Ryan, M.D. | 登録日 | 2015-07-24 | 公開日 | 2016-02-03 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Fragment-based discovery of DNA gyrase inhibitors targeting the ATPase subunit of GyrB. Bioorg.Med.Chem.Lett., 26, 2016
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4YMS
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![BU of 4yms by Molmil](/molmil-images/mine/4yms) | Crystal structure of an amino acid ABC transporter | 分子名称: | ABC-type amino acid transport system, permease component, ABC-type polar amino acid transport system, ... | 著者 | Ge, J, Yu, J, Yang, M. | 登録日 | 2015-03-07 | 公開日 | 2015-04-22 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Structural basis for substrate specificity of an amino acid ABC transporter Proc.Natl.Acad.Sci.USA, 112, 2015
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6VPP
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![BU of 6vpp by Molmil](/molmil-images/mine/6vpp) | Cryo-EM structure of microtubule-bound KLP61F motor with tail domain in the nucleotide-free state | 分子名称: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, Kinesin-like protein Klp61F, ... | 著者 | Bodrug, T, Wilson-Kubalek, E.M, Nithianantham, S, Debs, G, Sindelar, C.V, Milligan, R, Al-Bassam, J. | 登録日 | 2020-02-04 | 公開日 | 2020-02-19 | 最終更新日 | 2024-03-06 | 実験手法 | ELECTRON MICROSCOPY (4.4 Å) | 主引用文献 | The kinesin-5 tail domain directly modulates the mechanochemical cycle of the motor domain for anti-parallel microtubule sliding. Elife, 9, 2020
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4YMU
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![BU of 4ymu by Molmil](/molmil-images/mine/4ymu) | Crystal structure of an amino acid ABC transporter complex with arginines and ATPs | 分子名称: | ABC-type amino acid transport system, permease component, ABC-type polar amino acid transport system, ... | 著者 | Ge, J, Yu, J, Yang, M. | 登録日 | 2015-03-07 | 公開日 | 2015-04-22 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.503 Å) | 主引用文献 | Structural basis for substrate specificity of an amino acid ABC transporter Proc.Natl.Acad.Sci.USA, 112, 2015
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8TUW
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8TUX
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8TUH
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![BU of 8tuh by Molmil](/molmil-images/mine/8tuh) | HLA B7:02 with RPIIRPATL | 分子名称: | 1,2-ETHANEDIOL, ARG-PRO-ILE-ILE-ARG-PRO-ALA-THR-LEU, Beta-2-microglobulin, ... | 著者 | Littler, D.R, Rossjohn, J, Chaurasia, P, Petersen, J. | 登録日 | 2023-08-16 | 公開日 | 2024-03-13 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (2.200106 Å) | 主引用文献 | CD8 + T-cell responses towards conserved influenza B virus epitopes across anatomical sites and age. Nat Commun, 15, 2024
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8TUM
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5JHL
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![BU of 5jhl by Molmil](/molmil-images/mine/5jhl) | Crystal structure of zika virus envelope protein in complex with a flavivirus broadly-protective antibody | 分子名称: | Antibody Heavy chain, antibody Light chain, envelope protein | 著者 | Dai, L, Shi, Y, Qi, J, Gao, G.F. | 登録日 | 2016-04-21 | 公開日 | 2016-05-11 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Structures of the Zika Virus Envelope Protein and Its Complex with a Flavivirus Broadly Protective Antibody. Cell Host Microbe, 19, 2016
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7NML
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![BU of 7nml by Molmil](/molmil-images/mine/7nml) | Galectin-1 in complex with 4-Amino-6-chloro-1,3-benzenedisulfonamide | 分子名称: | 4-AMINO-6-CHLOROBENZENE-1,3-DISULFONAMIDE, DIMETHYL SULFOXIDE, Galectin-1 | 著者 | Grimm, C, Bechold, J, Seibel, J. | 登録日 | 2021-02-23 | 公開日 | 2022-03-02 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.43 Å) | 主引用文献 | Galectin-1 in complex with 4-Amino-6-chloro-1,3-benzenedisulfonamide To Be Published
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8DD9
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![BU of 8dd9 by Molmil](/molmil-images/mine/8dd9) | Crystal Structure of SARS-CoV-2 Main Protease (Mpro) S144L Mutant in Complex with Inhibitor GC376 | 分子名称: | (1R,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5 | 著者 | Lewandowski, E.M, Jacobs, L.M.C, Hu, Y, Tan, H, Wang, J, Chen, Y. | 登録日 | 2022-06-17 | 公開日 | 2022-07-13 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.04 Å) | 主引用文献 | Naturally Occurring Mutations of SARS-CoV-2 Main Protease Confer Drug Resistance to Nirmatrelvir. Acs Cent.Sci., 9, 2023
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5YJ8
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6VPO
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![BU of 6vpo by Molmil](/molmil-images/mine/6vpo) | Cryo-EM structure of microtubule-bound KLP61F motor domain in the AMPPNP state | 分子名称: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, Kinesin-like protein Klp61F, ... | 著者 | Bodrug, T, Wilson-Kubalek, E.M, Nithianantham, S, Debs, G, Sindelar, C.V, Milligan, R, Al-Bassam, J. | 登録日 | 2020-02-04 | 公開日 | 2020-02-19 | 最終更新日 | 2024-03-06 | 実験手法 | ELECTRON MICROSCOPY (4.4 Å) | 主引用文献 | The kinesin-5 tail domain directly modulates the mechanochemical cycle of the motor domain for anti-parallel microtubule sliding. Elife, 9, 2020
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4YMW
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![BU of 4ymw by Molmil](/molmil-images/mine/4ymw) | Crystal structure of an amino acid ABC transporter with histidines | 分子名称: | ABC-type amino acid transport system, permease component, ABC-type polar amino acid transport system, ... | 著者 | Ge, J, Yu, J, Yang, M. | 登録日 | 2015-03-07 | 公開日 | 2015-04-22 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.804 Å) | 主引用文献 | Structural basis for substrate specificity of an amino acid ABC transporter Proc.Natl.Acad.Sci.USA, 112, 2015
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5NHH
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![BU of 5nhh by Molmil](/molmil-images/mine/5nhh) | Human Erk2 with an Erk1/2 inhibitor | 分子名称: | 5-(2-methoxyethyl)-2-[2-(oxan-4-ylamino)pyrimidin-4-yl]-6,7-dihydro-1~{H}-pyrrolo[3,2-c]pyridin-4-one, Mitogen-activated protein kinase 1, SULFATE ION | 著者 | Debreczeni, J.E, Ward, R.A, Bethel, P, Cook, C, Davies, E, Eckersley, K, Fairley, G, Feron, L, Flemington, V, Graham, M.A, Greenwood, R, Hopcroft, P, Howard, T.D, Hudson, J, James, M, Jones, C.D, Jones, C.R, Lamont, S, Lewis, R, Lindsay, N, Roberts, K, Simpson, I, StGallay, S, Swallow, S, Tonge, M. | 登録日 | 2017-03-21 | 公開日 | 2017-04-19 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | 主引用文献 | Structure-Guided Discovery of Potent and Selective Inhibitors of ERK1/2 from a Modestly Active and Promiscuous Chemical Start Point. J. Med. Chem., 60, 2017
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5NHO
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![BU of 5nho by Molmil](/molmil-images/mine/5nho) | Human Erk2 with an Erk1/2 inhibitor | 分子名称: | (6~{S})-5-(2-methoxyethyl)-6-methyl-2-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-6,7-dihydro-1~{H}-pyrrolo[3,2-c]pyridin-4-one, Mitogen-activated protein kinase 1, SULFATE ION | 著者 | Debreczeni, J.E, Ward, R.A, Bethel, P, Cook, C, Davies, E, Eckersley, K, Fairley, G, Feron, L, Flemington, V, Graham, M.A, Greenwood, R, Hopcroft, P, Howard, T.D, Hudson, J, James, M, Jones, C.D, Jones, C.R, Lamont, S, Lewis, R, Lindsay, N, Roberts, K, Simpson, I, StGallay, S, Swallow, S, Tonge, M. | 登録日 | 2017-03-22 | 公開日 | 2017-04-19 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.24 Å) | 主引用文献 | Structure-Guided Discovery of Potent and Selective Inhibitors of ERK1/2 from a Modestly Active and Promiscuous Chemical Start Point. J. Med. Chem., 60, 2017
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5NHV
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![BU of 5nhv by Molmil](/molmil-images/mine/5nhv) | Human Erk2 with an Erk1/2 inhibitor | 分子名称: | 7-[2-(oxan-4-ylamino)pyrimidin-4-yl]-3,4-dihydro-2~{H}-pyrrolo[1,2-a]pyrazin-1-one, Mitogen-activated protein kinase 1, SULFATE ION | 著者 | Debreczeni, J.E, Ward, R.A, Bethel, P, Cook, C, Davies, E, Eckersley, K, Fairley, G, Feron, L, Flemington, V, Graham, M.A, Greenwood, R, Hopcroft, P, Howard, T.D, Hudson, J, James, M, Jones, C.D, Jones, C.R, Lamont, S, Lewis, R, Lindsay, N, Roberts, K, Simpson, I, StGallay, S, Swallow, S, Tonge, M. | 登録日 | 2017-03-22 | 公開日 | 2017-04-19 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structure-Guided Discovery of Potent and Selective Inhibitors of ERK1/2 from a Modestly Active and Promiscuous Chemical Start Point. J. Med. Chem., 60, 2017
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5NGU
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![BU of 5ngu by Molmil](/molmil-images/mine/5ngu) | Human Erk2 with an Erk1/2 inhibitor | 分子名称: | 2-[2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]pyrimidin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one, Mitogen-activated protein kinase 1, SULFATE ION | 著者 | Debreczeni, J.E, Ward, R.A, Bethel, P, Cook, C, Davies, E, Eckersley, K, Fairley, G, Feron, L, Flemington, V, Graham, M.A, Greenwood, R, Hopcroft, P, Howard, T.D, Hudson, J, James, M, Jones, C.D, Jones, C.R, Lamont, S, Lewis, R, Lindsay, N, Roberts, K, Simpson, I, StGallay, S, Swallow, S, Tonge, M. | 登録日 | 2017-03-20 | 公開日 | 2017-04-19 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.74 Å) | 主引用文献 | Structure-Guided Discovery of Potent and Selective Inhibitors of ERK1/2 from a Modestly Active and Promiscuous Chemical Start Point. J. Med. Chem., 60, 2017
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6HCU
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![BU of 6hcu by Molmil](/molmil-images/mine/6hcu) | Crystal Structure of Lysyl-tRNA Synthetase from Plasmodium falciparum bound to a difluoro cyclohexyl chromone ligand | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, HISTIDINE, ... | 著者 | Tamjar, J, Robinson, D.A, Baragana, B, Norcross, N, Forte, B, Walpole, C, Gilbert, I.H. | 登録日 | 2018-08-16 | 公開日 | 2019-04-03 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | 主引用文献 | Lysyl-tRNA synthetase as a drug target in malaria and cryptosporidiosis. Proc.Natl.Acad.Sci.USA, 116, 2019
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