7US6
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![BU of 7us6 by Molmil](/molmil-images/mine/7us6) | Structure of the human coronavirus CCoV-HuPn-2018 spike glycoprotein with domain 0 in the proximal conformation | 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, Spike glycoprotein, ... | 著者 | Tortorici, M.A, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | 登録日 | 2022-04-23 | 公開日 | 2022-08-24 | 実験手法 | ELECTRON MICROSCOPY (3.8 Å) | 主引用文献 | Structure, receptor recognition, and antigenicity of the human coronavirus CCoV-HuPn-2018 spike glycoprotein. Cell, 185, 2022
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7UT1
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7QLB
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![BU of 7qlb by Molmil](/molmil-images/mine/7qlb) | SMYD3 in complex with fragment FL06268 | 分子名称: | 1-methylimidazole-4-sulfonamide, Histone-lysine N-methyltransferase SMYD3, S-ADENOSYLMETHIONINE, ... | 著者 | Lund, B.A, Cederfelt, D, Dobritzsch, D. | 登録日 | 2021-12-20 | 公開日 | 2023-03-29 | 最終更新日 | 2024-04-24 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Identification of fragments targeting SMYD3 using highly sensitive kinetic and multiplexed biosensor-based screening Rsc Med Chem, 2024
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7USF
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7QNU
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![BU of 7qnu by Molmil](/molmil-images/mine/7qnu) | SMYD3 in complex with fragment FL08619 | 分子名称: | BENZOYL-FORMIC ACID, Histone-lysine N-methyltransferase SMYD3, S-ADENOSYLMETHIONINE, ... | 著者 | Lund, B.A, Cederfelt, D, Dobritzsch, D. | 登録日 | 2021-12-22 | 公開日 | 2023-04-05 | 最終更新日 | 2024-04-24 | 実験手法 | X-RAY DIFFRACTION (1.64 Å) | 主引用文献 | Identification of fragments targeting SMYD3 using highly sensitive kinetic and multiplexed biosensor-based screening Rsc Med Chem, 2024
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6Z3Z
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7QNR
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![BU of 7qnr by Molmil](/molmil-images/mine/7qnr) | SMYD3 in complex with fragment FL01791 | 分子名称: | 3-propan-2-yl-1,2,4-thiadiazol-5-amine, Histone-lysine N-methyltransferase SMYD3, S-ADENOSYLMETHIONINE, ... | 著者 | Lund, B.A, Cederfelt, D, Dobritzsch, D. | 登録日 | 2021-12-22 | 公開日 | 2023-04-05 | 最終更新日 | 2024-04-24 | 実験手法 | X-RAY DIFFRACTION (1.57 Å) | 主引用文献 | Identification of fragments targeting SMYD3 using highly sensitive kinetic and multiplexed biosensor-based screening Rsc Med Chem, 2024
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6Q9C
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![BU of 6q9c by Molmil](/molmil-images/mine/6q9c) | Crystal structure of Aquifex aeolicus NADH-quinone oxidoreductase subunits NuoE and NuoF bound to NADH under anaerobic conditions | 分子名称: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, ... | 著者 | Wohlwend, D, Gerhardt, S, Gnandt, E, Friedrich, T. | 登録日 | 2018-12-17 | 公開日 | 2019-06-26 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | 主引用文献 | A mechanism to prevent production of reactive oxygen species by Escherichia coli respiratory complex I. Nat Commun, 10, 2019
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6Q9G
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![BU of 6q9g by Molmil](/molmil-images/mine/6q9g) | Crystal structure of reduced Aquifex aeolicus NADH-quinone oxidoreductase subunits NuoE G129D and NuoF bound to NADH | 分子名称: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, ... | 著者 | Wohlwend, D, Gerhardt, S, Gnandt, E, Friedrich, T. | 登録日 | 2018-12-18 | 公開日 | 2019-06-26 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | A mechanism to prevent production of reactive oxygen species by Escherichia coli respiratory complex I. Nat Commun, 10, 2019
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6FR2
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![BU of 6fr2 by Molmil](/molmil-images/mine/6fr2) | Soluble epoxide hydrolase in complex with LK864 | 分子名称: | 1-[(4~{S})-9-propan-2-ylsulfonyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]-3-[[4-(trifluoromethyloxy)phenyl]methyl]urea, Bifunctional epoxide hydrolase 2, MAGNESIUM ION | 著者 | Kramer, J.S, Pogoryelov, D, Krasavin, M, Proschak, E. | 登録日 | 2018-02-15 | 公開日 | 2018-09-12 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.262 Å) | 主引用文献 | Discovery of polar spirocyclic orally bioavailable urea inhibitors of soluble epoxide hydrolase. Bioorg. Chem., 80, 2018
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7USA
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![BU of 7usa by Molmil](/molmil-images/mine/7usa) | Structure of the human coronavirus CCoV-HuPn-2018 spike glycoprotein with domain 0 in the swung out conformation | 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, Spike glycoprotein, ... | 著者 | Tortorici, M.A, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | 登録日 | 2022-04-23 | 公開日 | 2022-08-24 | 実験手法 | ELECTRON MICROSCOPY (2.8 Å) | 主引用文献 | Structure, receptor recognition, and antigenicity of the human coronavirus CCoV-HuPn-2018 spike glycoprotein. Cell, 185, 2022
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6Q9J
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![BU of 6q9j by Molmil](/molmil-images/mine/6q9j) | Crystal structure of reduced Aquifex aeolicus NADH-quinone oxidoreductase subunits NuoE G129S and NuoF bound to NADH | 分子名称: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, ... | 著者 | Wohlwend, D, Gerhardt, S, Gnandt, E, Friedrich, T. | 登録日 | 2018-12-18 | 公開日 | 2019-06-26 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | 主引用文献 | A mechanism to prevent production of reactive oxygen species by Escherichia coli respiratory complex I. Nat Commun, 10, 2019
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1K2E
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![BU of 1k2e by Molmil](/molmil-images/mine/1k2e) | crystal structure of a nudix protein from Pyrobaculum aerophilum | 分子名称: | ACETIC ACID, GLYCEROL, NICKEL (II) ION, ... | 著者 | Wang, S, Mura, C, Sawaya, M.R, Cascio, D, Eisenberg, D. | 登録日 | 2001-09-26 | 公開日 | 2002-04-03 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Structure of a Nudix protein from Pyrobaculum aerophilum reveals a dimer with two intersubunit beta-sheets. Acta Crystallogr.,Sect.D, 58, 2002
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6QB6
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![BU of 6qb6 by Molmil](/molmil-images/mine/6qb6) | Mcl1 in complex with a Fab | 分子名称: | Fab Heavy Chain, Fab Light Chain, Induced myeloid leukemia cell differentiation protein Mcl-1 | 著者 | Hargreaves, D. | 登録日 | 2018-12-20 | 公開日 | 2019-11-06 | 最終更新日 | 2019-11-13 | 実験手法 | X-RAY DIFFRACTION (2.24 Å) | 主引用文献 | Antibody fragments structurally enable a drug-discovery campaign on the cancer target Mcl-1. Acta Crystallogr D Struct Biol, 75, 2019
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7UCP
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![BU of 7ucp by Molmil](/molmil-images/mine/7ucp) | computationally designed macrocycle | 分子名称: | computationally designed cyclic peptide D8.3.p2 | 著者 | Bhardwaj, G, Baker, D, Rettie, S, Glynn, C, Sawaya, M. | 登録日 | 2022-03-17 | 公開日 | 2022-09-14 | 最終更新日 | 2022-09-28 | 実験手法 | X-RAY DIFFRACTION (0.85 Å) | 主引用文献 | Accurate de novo design of membrane-traversing macrocycles. Cell, 185, 2022
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6HL1
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![BU of 6hl1 by Molmil](/molmil-images/mine/6hl1) | Crystal Structure of Farnesoid X receptor (FXR) with bound NCoA-2 peptide and CDCA | 分子名称: | Bile acid receptor, CHENODEOXYCHOLIC ACID, NCoA-2 peptide (Nuclear receptor coactivator 2), ... | 著者 | Kudlinzki, D, Merk, D, Linhard, V.L, Saxena, K, Schubert-Zsilavecz, M, Schwalbe, H. | 登録日 | 2018-09-10 | 公開日 | 2019-05-29 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.599 Å) | 主引用文献 | Molecular tuning of farnesoid X receptor partial agonism. Nat Commun, 10, 2019
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6TU9
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![BU of 6tu9 by Molmil](/molmil-images/mine/6tu9) | The ROR1 Pseudokinase Domain Bound To Ponatinib | 分子名称: | 3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzam ide, Inactive tyrosine-protein kinase transmembrane receptor ROR1 | 著者 | Mathea, S, Preuss, F, Chatterjee, D, Niininen, W, Ungureanu, D, Shin, D, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S. | 登録日 | 2020-01-04 | 公開日 | 2020-01-22 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | 主引用文献 | Structural Insights into Pseudokinase Domains of Receptor Tyrosine Kinases. Mol.Cell, 79, 2020
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6HBK
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![BU of 6hbk by Molmil](/molmil-images/mine/6hbk) | Echovirus 18 Open particle without one pentamer | 分子名称: | Echovirus 18 capsid protein 1, Echovirus 18 capsid protein 2, Echovirus 18 capsid protein 3 | 著者 | Buchta, D, Fuzik, T, Hrebik, D, Levdansky, Y, Moravcova, J, Plevka, P. | 登録日 | 2018-08-10 | 公開日 | 2019-03-20 | 実験手法 | ELECTRON MICROSCOPY (3.8 Å) | 主引用文献 | Enterovirus particles expel capsid pentamers to enable genome release. Nat Commun, 10, 2019
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7UAB
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![BU of 7uab by Molmil](/molmil-images/mine/7uab) | Human pro-meprin alpha (zymogen state) | 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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Bayly-Jones, C, Lupton, C.J, Fritz, C, Schlenzig, D, Whisstock, J.C. | 登録日 | 2022-03-12 | 公開日 | 2022-11-02 | 実験手法 | ELECTRON MICROSCOPY (3.7 Å) | 主引用文献 | Helical ultrastructure of the metalloprotease meprin alpha in complex with a small molecule inhibitor. Nat Commun, 13, 2022
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7UAC
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![BU of 7uac by Molmil](/molmil-images/mine/7uac) | Human pro-meprin alpha (zymogen state) | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Meprin A subunit alpha, ... | 著者 | Bayly-Jones, C, Lupton, C.J, Fritz, C, Schlenzig, D, Whisstock, J.C. | 登録日 | 2022-03-12 | 公開日 | 2022-11-02 | 実験手法 | ELECTRON MICROSCOPY (2.7 Å) | 主引用文献 | Helical ultrastructure of the metalloprotease meprin alpha in complex with a small molecule inhibitor. Nat Commun, 13, 2022
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7UAE
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![BU of 7uae by Molmil](/molmil-images/mine/7uae) | Human meprin alpha (active state) | 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, CALCIUM ION, ... | 著者 | Bayly-Jones, C, Lupton, C.J, Fritz, C, Schlenzig, D, Whisstock, J.C. | 登録日 | 2022-03-12 | 公開日 | 2022-11-02 | 実験手法 | ELECTRON MICROSCOPY (2.6 Å) | 主引用文献 | Helical ultrastructure of the metalloprotease meprin alpha in complex with a small molecule inhibitor. Nat Commun, 13, 2022
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7UAI
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![BU of 7uai by Molmil](/molmil-images/mine/7uai) | Meprin alpha helix in complex with fetuin-B | 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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Bayly-Jones, C, Lupton, C.J, Fritz, C, Schlenzig, D, Whisstock, J.C. | 登録日 | 2022-03-13 | 公開日 | 2022-11-02 | 実験手法 | ELECTRON MICROSCOPY (2.8 Å) | 主引用文献 | Helical ultrastructure of the metalloprotease meprin alpha in complex with a small molecule inhibitor. Nat Commun, 13, 2022
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7UAF
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![BU of 7uaf by Molmil](/molmil-images/mine/7uaf) | Human meprin alpha inhibitory complex with compound 10d (N~3~,N~3~-bis[(2H-1,3-benzodioxol-5-yl)methyl]-N-hydroxy-beta-alaninamide) | 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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Bayly-Jones, C, Lupton, C.J, Fritz, C, Schlenzig, D, Whisstock, J.C. | 登録日 | 2022-03-12 | 公開日 | 2022-11-02 | 実験手法 | ELECTRON MICROSCOPY (2.4 Å) | 主引用文献 | Helical ultrastructure of the metalloprotease meprin alpha in complex with a small molecule inhibitor. Nat Commun, 13, 2022
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6Z4T
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1KFK
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![BU of 1kfk by Molmil](/molmil-images/mine/1kfk) | Crystal structure of Tryptophan Synthase From Salmonella Typhimurium | 分子名称: | PYRIDOXAL-5'-PHOSPHATE, SODIUM ION, TRYPTOPHAN SYNTHASE ALPHA CHAIN, ... | 著者 | Kulik, V, Weyand, M, Seidel, R, Niks, D, Arac, D, Dunn, M.F, Schlichting, I. | 登録日 | 2001-11-21 | 公開日 | 2003-10-21 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | On the role of alphaThr183 in the allosteric regulation and catalytic mechanism of tryptophan synthase. J.Mol.Biol., 324, 2002
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