6QAK
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6PS8
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![BU of 6ps8 by Molmil](/molmil-images/mine/6ps8) | XFEL MT1R structure by ligand exchange from agomelatine to 2-phenylmelatonin. | 分子名称: | Fusion protein of Melatonin receptor type 1A and GlgA glycogen synthase, N-[2-(5-methoxy-2-phenyl-1H-indol-3-yl)ethyl]acetamide | 著者 | Ishchenko, A, Stauch, B, Han, G.W, Batyuk, A, Shiriaeva, A, Li, C, Zatsepin, N.A, Weierstall, U, Liu, W, Nango, E, Nakane, T, Tanaka, R, Tono, K, Joti, Y, Iwata, S, Moraes, I, Gati, C, Cherezov, C. | 登録日 | 2019-07-12 | 公開日 | 2019-11-13 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (3.3 Å) | 主引用文献 | Toward G protein-coupled receptor structure-based drug design using X-ray lasers. Iucrj, 6, 2019
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6PZ3
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7BJ5
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![BU of 7bj5 by Molmil](/molmil-images/mine/7bj5) | Inulosucrase from Halalkalicoccus jeotgali | 分子名称: | Levansucrase | 著者 | Ghauri, K, Pijning, T, Munawar, N, Ali, H, Ghauri, M.A, Anwar, M.A, Wallis, R. | 登録日 | 2021-01-14 | 公開日 | 2021-04-14 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | 主引用文献 | Crystal structure of an inulosucrase from Halalkalicoccus jeotgali B3T, a halophilic archaeal strain. Febs J., 288, 2021
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8DKB
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8FXP
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![BU of 8fxp by Molmil](/molmil-images/mine/8fxp) | Structure of capsid of Agrobacterium phage Milano | 分子名称: | Linking protein 1, gp16, Linking protein 2, ... | 著者 | Sonani, R.R, Wang, F, Esteves, N.C, Kelly, R.J, Sebastian, A, Kreutzberger, M.A.B, Leiman, P.G, Scharf, B.E, Egelman, E.H. | 登録日 | 2023-01-25 | 公開日 | 2023-12-06 | 実験手法 | ELECTRON MICROSCOPY (4.04 Å) | 主引用文献 | Neck and capsid architecture of the robust Agrobacterium phage Milano. Commun Biol, 6, 2023
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6PX7
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8FWB
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![BU of 8fwb by Molmil](/molmil-images/mine/8fwb) | Portal assembly of Agrobacterium phage Milano | 分子名称: | Portal protein, gp7 | 著者 | Sonani, R.R, Wang, F, Esteves, N.C, Kelly, R.J, Sebastian, A, Kreutzberger, M.A.B, Leiman, P.G, Scharf, B.E, Egelman, E.H. | 登録日 | 2023-01-20 | 公開日 | 2023-12-06 | 実験手法 | ELECTRON MICROSCOPY (3.14 Å) | 主引用文献 | Neck and capsid architecture of the robust Agrobacterium phage Milano. Commun Biol, 6, 2023
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7A4M
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![BU of 7a4m by Molmil](/molmil-images/mine/7a4m) | Cryo-EM structure of mouse heavy-chain apoferritin at 1.22 A | 分子名称: | FE (III) ION, Ferritin heavy chain, ZINC ION | 著者 | Nakane, T, Kotecha, A, Sente, A, Yamashita, K, McMullan, G, Masiulis, S, Brown, P.M.G.E, Grigoras, I.T, Malinauskaite, L, Malinauskas, T, Miehling, J, Yu, L, Karia, D, Pechnikova, E.V, de Jong, E, Keizer, J, Bischoff, M, McCormack, J, Tiemeijer, P, Hardwick, S.W, Chirgadze, D.Y, Murshudov, G, Aricescu, A.R, Scheres, S.H.W. | 登録日 | 2020-08-20 | 公開日 | 2020-10-28 | 最終更新日 | 2024-07-10 | 実験手法 | ELECTRON MICROSCOPY (1.22 Å) | 主引用文献 | Single-particle cryo-EM at atomic resolution. Nature, 587, 2020
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8FXR
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![BU of 8fxr by Molmil](/molmil-images/mine/8fxr) | Structure of neck with portal vertex of capsid of Agrobacterium phage Milano | 分子名称: | Collar sheath protein, gp13, Linking protein 1, ... | 著者 | Sonani, R.R, Wang, F, Esteves, N.C, Kelly, R.J, Sebastian, A, Kreutzberger, M.A.B, Leiman, P.G, Scharf, B.E, Egelman, E.H. | 登録日 | 2023-01-25 | 公開日 | 2023-12-06 | 実験手法 | ELECTRON MICROSCOPY (4.5 Å) | 主引用文献 | Neck and capsid architecture of the robust Agrobacterium phage Milano. Commun Biol, 6, 2023
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7QZ6
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8G2H
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![BU of 8g2h by Molmil](/molmil-images/mine/8g2h) | Crystal Structure of PRMT4 with Compound YD1113 | 分子名称: | 5'-S-[2-(benzylcarbamamido)ethyl]-5'-thioadenosine, GLYCEROL, Histone-arginine methyltransferase CARM1, ... | 著者 | Song, X, Dong, A, Deng, Y, Huang, R, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | 登録日 | 2023-02-03 | 公開日 | 2023-12-13 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.49 Å) | 主引用文献 | A unique binding pocket induced by a noncanonical SAH mimic to develop potent and selective PRMT inhibitors. Acta Pharm Sin B, 13, 2023
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8FYG
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![BU of 8fyg by Molmil](/molmil-images/mine/8fyg) | Crystal structure of Hyaluronate lyase A from Cutibacterium acnes | 分子名称: | 1,2-ETHANEDIOL, GLYCEROL, Hyaluronate lyase | 著者 | Katiki, M, McNally, R, Chatterjee, A, Hajam, I.A, Liu, G.Y, Murali, R. | 登録日 | 2023-01-26 | 公開日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Functional divergence of a bacterial enzyme promotes healthy or acneic skin. Nat Commun, 14, 2023
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8FWC
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![BU of 8fwc by Molmil](/molmil-images/mine/8fwc) | Collar sheath structure of Agrobacterium phage Milano | 分子名称: | Collar sheath protein, gp13 | 著者 | Sonani, R.R, Wang, F, Esteves, N.C, Kelly, R.J, Sebastian, A, Kreutzberger, M.A.B, Leiman, P.G, Scharf, B.E, Egelman, E.H. | 登録日 | 2023-01-20 | 公開日 | 2023-12-06 | 実験手法 | ELECTRON MICROSCOPY (2.96 Å) | 主引用文献 | Neck and capsid architecture of the robust Agrobacterium phage Milano. Commun Biol, 6, 2023
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8FWE
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![BU of 8fwe by Molmil](/molmil-images/mine/8fwe) | Neck structure of Agrobacterium phage Milano, C3 symmetry | 分子名称: | Collar sheath protein, gp13, Neck 1 protein, ... | 著者 | Sonani, R.R, Wang, F, Esteves, N.C, Kelly, R.J, Sebastian, A, Kreutzberger, M.A.B, Leiman, P.G, Scharf, B.E, Egelman, E.H. | 登録日 | 2023-01-21 | 公開日 | 2023-12-06 | 実験手法 | ELECTRON MICROSCOPY (3.46 Å) | 主引用文献 | Neck and capsid architecture of the robust Agrobacterium phage Milano. Commun Biol, 6, 2023
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6Q7F
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![BU of 6q7f by Molmil](/molmil-images/mine/6q7f) | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with the NVP-BHG712 derivative ATDL18 | 分子名称: | 3-[(4-imidazol-1-yl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-4-methyl-~{N}-[3-(trifluoromethyl)phenyl]benzamide, Ephrin type-A receptor 2 | 著者 | Kudlinzki, D, Troester, A, Witt, K, Linhard, V.L, Gande, S.L, Saxena, K, Schwalbe, H. | 登録日 | 2018-12-13 | 公開日 | 2020-01-15 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.204 Å) | 主引用文献 | Effects of NVP-BHG712 chemical modifications on EPHA2 binding and affinity To Be Published
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6QA1
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![BU of 6qa1 by Molmil](/molmil-images/mine/6qa1) | ERK2 mini-fragment binding | 分子名称: | Mitogen-activated protein kinase 1, SULFATE ION, pyridin-2-amine | 著者 | O'Reilly, M, Cleasby, A, Davies, T.G, Hall, R, Ludlow, F, Murray, C.W, Tisi, D, Jhoti, H. | 登録日 | 2018-12-18 | 公開日 | 2019-06-26 | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | 主引用文献 | Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design. Drug Discov Today, 24, 2019
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8CX9
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![BU of 8cx9 by Molmil](/molmil-images/mine/8cx9) | Structure of the SARS-COV2 PLpro (C111S) in complex with a dimeric Ubv that inhibits activity by an unusual allosteric mechanism | 分子名称: | BROMIDE ION, CHLORIDE ION, Papain-like protease nsp3, ... | 著者 | Singer, A.U, Slater, C.L, Patel, A, Russel, R, Mark, B.L, Sidhu, S.S. | 登録日 | 2022-05-20 | 公開日 | 2023-01-25 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (3.5 Å) | 主引用文献 | Ubiquitin variants potently inhibit SARS-CoV-2 PLpro and viral replication via a novel site distal to the protease active site. Plos Pathog., 18, 2022
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7OFD
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![BU of 7ofd by Molmil](/molmil-images/mine/7ofd) | Keap1 kelch domain bound to a small molecule fragment | 分子名称: | 6-fluoranyl-2-methyl-quinolin-4-ol, DIMETHYL SULFOXIDE, Kelch-like ECH-associated protein 1, ... | 著者 | Narayanan, D, Bach, A, Gajhede, M. | 登録日 | 2021-05-04 | 公開日 | 2022-11-02 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | 主引用文献 | Development of Noncovalent Small-Molecule Keap1-Nrf2 Inhibitors by Fragment-Based Drug Discovery. J.Med.Chem., 65, 2022
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6Y0O
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![BU of 6y0o by Molmil](/molmil-images/mine/6y0o) | isopenicillin N synthase in complex with ACV and Fe under anaerobic environment using FT-SSX methods | 分子名称: | Anaerobic Fixed Target Structure of Isopenicillin N synthase in complex with Fe and ACV, FE (III) ION, L-D-(A-AMINOADIPOYL)-L-CYSTEINYL-D-VALINE, ... | 著者 | Rabe, P, Beale, J.H, Lang, P.A, Dirr, A.S, Leissing, T.M, Butryn, A, Aller, P, Kamps, J.J.A.G, Axford, D, McDonough, M.A, Orville, A.M, Owen, R, Schofield, C.J. | 登録日 | 2020-02-10 | 公開日 | 2020-09-09 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Anaerobic fixed-target serial crystallography. Iucrj, 7, 2020
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7OFF
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![BU of 7off by Molmil](/molmil-images/mine/7off) | Keap1 kelch domain bound to a small molecule inhibitor of the Keap1-Nrf2 protein-protein interaction | 分子名称: | (2~{R})-2-[(9-oxidanylidenefluoren-4-yl)carbonylamino]-2-phenyl-ethanoic acid, DIMETHYL SULFOXIDE, Kelch-like ECH-associated protein 1, ... | 著者 | Narayanan, D, Bach, A, Gajhede, M. | 登録日 | 2021-05-04 | 公開日 | 2022-11-02 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.37 Å) | 主引用文献 | Development of Noncovalent Small-Molecule Keap1-Nrf2 Inhibitors by Fragment-Based Drug Discovery. J.Med.Chem., 65, 2022
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6NHH
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![BU of 6nhh by Molmil](/molmil-images/mine/6nhh) | Rhodobacter sphaeroides bc1 with azoxystrobin | 分子名称: | 1,2-DIHEXANOYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, Cytochrome b, Cytochrome c1, ... | 著者 | Xia, D, Zhou, F, Yu, C.A. | 登録日 | 2018-12-21 | 公開日 | 2019-06-19 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Crystal structure of bacterial cytochromebc1in complex with azoxystrobin reveals a conformational switch of the Rieske iron-sulfur protein subunit. J.Biol.Chem., 294, 2019
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6NT1
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![BU of 6nt1 by Molmil](/molmil-images/mine/6nt1) | Catalase 3 from N.Crassa in ferrous state (2.89 MGy) | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, Catalase-3, ... | 著者 | Zarate-Romero, A, Rudino-Pinera, E, Stojanoff, V. | 登録日 | 2019-01-27 | 公開日 | 2019-05-01 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | X-ray driven reduction of Cpd I of Catalase-3 from N. crassa reveals differential sensitivity of active sites and formation of ferrous state. Arch.Biochem.Biophys., 666, 2019
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6PUI
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![BU of 6pui by Molmil](/molmil-images/mine/6pui) | Structure of human MAIT A-F7 TCR in complex with human MR1-4'OH-Butyl-5-OP-U | 分子名称: | 6-[(4-hydroxybutyl)amino]-5-[(E)-(2-oxopropylidene)amino]pyrimidine-2,4(1H,3H)-dione, Beta-2-microglobulin, GLYCEROL, ... | 著者 | Awad, W, Keller, A.N, Rossjohn, J. | 登録日 | 2019-07-18 | 公開日 | 2020-02-19 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | 主引用文献 | The molecular basis underpinning the potency and specificity of MAIT cell antigens. Nat.Immunol., 21, 2020
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6PWL
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![BU of 6pwl by Molmil](/molmil-images/mine/6pwl) | ADC-7 in complex with boronic acid transition state inhibitor LP06 | 分子名称: | (7Z)-7-(2-amino-1,3-thiazol-4-yl)-1,1,3-trihydroxy-10,10-dimethyl-1,6-dioxo-2,9-dioxa-5,8-diaza-1lambda~5~-phospha-3-boraundec-7-en-11-oic acid, Beta-lactamase, GLYCINE | 著者 | Curtis, B.C, Powers, R.A, Wallar, B.J. | 登録日 | 2019-07-23 | 公開日 | 2020-10-21 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.67 Å) | 主引用文献 | Structural Insights into Inhibition of the Acinetobacter-Derived Cephalosporinase ADC-7 by Ceftazidime and Its Boronic Acid Transition State Analog. Antimicrob.Agents Chemother., 64, 2020
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