7AXM
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![BU of 7axm by Molmil](/molmil-images/mine/7axm) | Structure of SARS-CoV-2 Main Protease bound to Pelitinib | 分子名称: | (2E)-N-{4-[(3-chloro-4-fluorophenyl)amino]-3-cyano-7-ethoxyquinolin-6-yl}-4-(dimethylamino)but-2-enamide, 3C-like proteinase, DIMETHYL SULFOXIDE, ... | 著者 | Guenther, S, Reinke, P.Y.A, Oberthuer, D, Yefanov, O, Gelisio, L, Ginn, H, Lieske, J, Domaracky, M, Brehm, W, Rahmani Mashour, A, White, T.A, Knoska, J, Pena Esperanza, G, Koua, F, Tolstikova, A, Groessler, M, Fischer, P, Hennicke, V, Fleckenstein, H, Trost, F, Galchenkova, M, Gevorkov, Y, Li, C, Awel, S, Paulraj, L.X, Ullah, N, Falke, S, Alves Franca, B, Schwinzer, M, Brognaro, H, Werner, N, Perbandt, M, Tidow, H, Seychell, B, Beck, T, Meier, S, Doyle, J.J, Giseler, H, Melo, D, Lane, T.J, Dunkel, I, Peck, A, Saouane, S, Hakanpaeae, J, Meyer, J, Noei, H, Gribbon, P, Ellinger, B, Kuzikov, M, Wolf, M, Zhang, L, Ehrt, C, Pletzer-Zelgert, J, Wollenhaupt, J, Feiler, C, Weiss, M, Schulz, E.C, Mehrabi, P, Norton-Baker, B, Schmidt, C, Lorenzen, K, Schubert, R, Han, H, Chari, A, Fernandez Garcia, Y, Turk, D, Hilgenfeld, R, Rarey, M, Zaliani, A, Chapman, H.N, Pearson, A, Betzel, C, Meents, A. | 登録日 | 2020-11-09 | 公開日 | 2020-12-02 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease. Science, 372, 2021
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6GB5
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![BU of 6gb5 by Molmil](/molmil-images/mine/6gb5) | Structure of H-2Db with truncated SEV peptide and GL | 分子名称: | Beta-2-microglobulin, GLY-LEU, GLYCEROL, ... | 著者 | Hafstrand, I, Sandalova, T, Achour, A. | 登録日 | 2018-04-13 | 公開日 | 2019-03-06 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Successive crystal structure snapshots suggest the basis for MHC class I peptide loading and editing by tapasin. Proc.Natl.Acad.Sci.USA, 116, 2019
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3BVB
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![BU of 3bvb by Molmil](/molmil-images/mine/3bvb) | Cystal structure of HIV-1 Active Site Mutant D25N and inhibitor Darunavir | 分子名称: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, CHLORIDE ION, GLYCEROL, ... | 著者 | Liu, F, Weber, I.T. | 登録日 | 2008-01-05 | 公開日 | 2008-04-01 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | Effect of the Active Site D25N Mutation on the Structure, Stability, and Ligand Binding of the Mature HIV-1 Protease. J.Biol.Chem., 283, 2008
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3BVF
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![BU of 3bvf by Molmil](/molmil-images/mine/3bvf) | Structural basis for the iron uptake mechanism of Helicobacter pylori ferritin | 分子名称: | FE (III) ION, Ferritin, GLYCEROL, ... | 著者 | Kim, K.H, Cho, K.J, Lee, J.H, Shin, H.J, Yang, I.S. | 登録日 | 2008-01-07 | 公開日 | 2009-01-13 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Structural basis for the iron uptake mechanism of Helicobacter pylori ferritin To be Published
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3BPM
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![BU of 3bpm by Molmil](/molmil-images/mine/3bpm) | Crystal Structure of Falcipain-3 with Its inhibitor, Leupeptin | 分子名称: | Cysteine protease falcipain-3, Leupeptin, SULFATE ION | 著者 | kerr, I.D, Lee, J.H, Brinen, L.S. | 登録日 | 2007-12-18 | 公開日 | 2008-12-30 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Structures of falcipain-2 and falcipain-3 bound to small molecule inhibitors: implications for substrate specificity. J.Med.Chem., 52, 2009
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3BVI
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![BU of 3bvi by Molmil](/molmil-images/mine/3bvi) | Structural basis for the iron uptake mechanism of Helicobacter pylori ferritin | 分子名称: | FE (III) ION, Ferritin, GLYCEROL | 著者 | Kim, K.H, Cho, K.J, Lee, J.H, Shin, H.J, Yang, I.S. | 登録日 | 2008-01-07 | 公開日 | 2009-01-13 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structural basis for the iron uptake mechanism of Helicobacter pylori ferritin To be Published
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3BVA
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![BU of 3bva by Molmil](/molmil-images/mine/3bva) | Cystal structure of HIV-1 Active Site Mutant D25N and p2-NC analog inhibitor | 分子名称: | GLYCEROL, N-{(2S)-2-[(N-acetyl-L-threonyl-L-isoleucyl)amino]hexyl}-L-norleucyl-L-glutaminyl-N~5~-[amino(iminio)methyl]-L-ornithinamide, Protease (Retropepsin) | 著者 | Liu, F, Weber, I.T. | 登録日 | 2008-01-05 | 公開日 | 2008-04-01 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.05 Å) | 主引用文献 | Effect of the Active Site D25N Mutation on the Structure, Stability, and Ligand Binding of the Mature HIV-1 Protease. J.Biol.Chem., 283, 2008
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4DP6
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![BU of 4dp6 by Molmil](/molmil-images/mine/4dp6) | The 1.67 Angstrom crystal structure of reduced (CuI) poplar plastocyanin B at pH 8.0 | 分子名称: | COPPER (I) ION, GLYCEROL, Plastocyanin B, ... | 著者 | Kachalova, G.S, Shosheva, A.H, Bourenkov, G.P, Donchev, A.A, Dimitrov, M.I, Bartunik, H.D. | 登録日 | 2012-02-13 | 公開日 | 2013-02-13 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.67 Å) | 主引用文献 | Structural comparison of the poplar plastocyanin isoforms PCa and PCb sheds new light on the role of the copper site geometry in interactions with redox partners in oxygenic photosynthesis. J.Inorg.Biochem., 115, 2012
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4DPC
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![BU of 4dpc by Molmil](/molmil-images/mine/4dpc) | The 1.06 Angstrom crystal structure of reduced (CuI) poplar plastocyanin A at pH 8.0 | 分子名称: | COPPER (I) ION, Plastocyanin A, chloroplastic | 著者 | Kachalova, G.S, Shosheva, A.H, Bourenkov, G.P, Donchev, A.A, Dimitrov, M.I, Bartunik, H.D. | 登録日 | 2012-02-13 | 公開日 | 2013-02-13 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.06 Å) | 主引用文献 | Structural comparison of the poplar plastocyanin isoforms PCa and PCb sheds new light on the role of the copper site geometry in interactions with redox partners in oxygenic photosynthesis. J.Inorg.Biochem., 115, 2012
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3BPF
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![BU of 3bpf by Molmil](/molmil-images/mine/3bpf) | Crystal Structure of Falcipain-2 with Its inhibitor, E64 | 分子名称: | Cysteine protease falcipain-2, GLYCEROL, N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-BUTYL]-GUANIDINE | 著者 | kerr, I.D, Lee, J.H, Brinen, L.S. | 登録日 | 2007-12-18 | 公開日 | 2008-12-30 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Structures of falcipain-2 and falcipain-3 bound to small molecule inhibitors: implications for substrate specificity. J.Med.Chem., 52, 2009
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1GPI
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![BU of 1gpi by Molmil](/molmil-images/mine/1gpi) | |
4UXS
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![BU of 4uxs by Molmil](/molmil-images/mine/4uxs) | Conserved mechanisms of microtubule-stimulated ADP release, ATP binding, and force generation in transport kinesins | 分子名称: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, KINESIN-3 MOTOR DOMAIN, ... | 著者 | Atherton, J, Farabella, I, Yu, I.M, Rosenfeld, S.S, Houdusse, A, Topf, M, Moores, C. | 登録日 | 2014-08-27 | 公開日 | 2014-09-24 | 最終更新日 | 2024-05-08 | 実験手法 | ELECTRON MICROSCOPY (7 Å) | 主引用文献 | Conserved Mechanisms of Microtubule-Stimulated Adp Release, ATP Binding, and Force Generation in Transport Kinesins. Elife, 3, 2014
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3C2A
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![BU of 3c2a by Molmil](/molmil-images/mine/3c2a) | Antibody Fab fragment 447-52D in complex with UG1033 peptide | 分子名称: | Envelope glycoprotein, Fab 447-52D heavy chain, Fab 447-52D light chain | 著者 | Dhillon, A.K, Stanfield, R.L, Wilson, I.A. | 登録日 | 2008-01-24 | 公開日 | 2008-07-08 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structure determination of an anti-HIV-1 Fab 447-52D-peptide complex from an epitaxially twinned data set Acta Crystallogr.,Sect.D, 64, 2008
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3BP8
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![BU of 3bp8 by Molmil](/molmil-images/mine/3bp8) | Crystal structure of Mlc/EIIB complex | 分子名称: | ACETATE ION, PTS system glucose-specific EIICB component, Putative NAGC-like transcriptional regulator, ... | 著者 | An, Y.J, Jung, H.I, Cha, S.S. | 登録日 | 2007-12-18 | 公開日 | 2008-05-27 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | 主引用文献 | Analyses of Mlc-IIBGlc interaction and a plausible molecular mechanism of Mlc inactivation by membrane sequestration Proc.Natl.Acad.Sci.Usa, 105, 2008
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3J79
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![BU of 3j79 by Molmil](/molmil-images/mine/3j79) | Cryo-EM structure of the Plasmodium falciparum 80S ribosome bound to the anti-protozoan drug emetine, large subunit | 分子名称: | 28S ribosomal RNA, 5.8S ribosomal RNA, 5S ribosomal RNA, ... | 著者 | Wong, W, Bai, X.C, Brown, A, Fernandez, I.S, Hanssen, E, Condron, M, Tan, Y.H, Baum, J, Scheres, S.H.W. | 登録日 | 2014-06-02 | 公開日 | 2014-07-16 | 最終更新日 | 2024-02-21 | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | 主引用文献 | Cryo-EM structure of the Plasmodium falciparum 80S ribosome bound to the anti-protozoan drug emetine. Elife, 3, 2014
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1HB1
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![BU of 1hb1 by Molmil](/molmil-images/mine/1hb1) | ISOPENICILLIN N SYNTHASE FROM ASPERGILLUS NIDULANS (ANAEROBIC ACOV FE COMPLEX) | 分子名称: | FE (II) ION, ISOPENICILLIN N SYNTHASE, N6-[(1R)-2-{[(1R)-1-CARBOXY-2-METHYLPROPYL]OXY}-1-(MERCAPTOMETHYL)-2-OXOETHYL]-6-OXO-D-LYSINE, ... | 著者 | Ogle, J.M, Clifton, I.J, Rutledge, P.J, Elkins, J.M, Burzlaff, N.I, Adlington, R.M, Roach, P.L, Baldwin, J.E. | 登録日 | 2001-04-11 | 公開日 | 2001-11-23 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Alternative Oxidation by Isopenicillin N Synthase Observed by X-Ray Diffraction. Chem.Biol., 8, 2001
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5C4X
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![BU of 5c4x by Molmil](/molmil-images/mine/5c4x) | Crystal structure of a transcribing RNA Polymerase II complex reveals a complete transcription bubble | 分子名称: | DNA-directed RNA polymerase II subunit RPB1, DNA-directed RNA polymerase II subunit RPB11, DNA-directed RNA polymerase II subunit RPB2, ... | 著者 | Barnes, C.O, Calero, M, Malik, I, Spahr, H, Zhang, Q, Pullara, F, Kaplan, C.D, Calero, G. | 登録日 | 2015-06-18 | 公開日 | 2015-08-26 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (4 Å) | 主引用文献 | Crystal Structure of a Transcribing RNA Polymerase II Complex Reveals a Complete Transcription Bubble. Mol.Cell, 59, 2015
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8C5P
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![BU of 8c5p by Molmil](/molmil-images/mine/8c5p) | E. coli NfsB mutant N71S T41L with acetate | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, DIMETHYL SULFOXIDE, ... | 著者 | Day, M.A, White, S.A, Hyde, E.I. | 登録日 | 2023-01-10 | 公開日 | 2023-04-19 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (1.69 Å) | 主引用文献 | Structure and Dynamics of Three Escherichia coli NfsB Nitro-Reductase Mutants Selected for Enhanced Activity with the Cancer Prodrug CB1954. Int J Mol Sci, 24, 2023
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8CJ0
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![BU of 8cj0 by Molmil](/molmil-images/mine/8cj0) | E. coli NfsB-T41Q/N71S/F124T/M127V mutant bound to nicotinate | 分子名称: | 1,2-ETHANEDIOL, FLAVIN MONONUCLEOTIDE, NICOTINIC ACID, ... | 著者 | White, S.A, Hyde, E.I, Day, M.A. | 登録日 | 2023-02-11 | 公開日 | 2023-04-19 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | 主引用文献 | Structure and Dynamics of Three Escherichia coli NfsB Nitro-Reductase Mutants Selected for Enhanced Activity with the Cancer Prodrug CB1954. Int J Mol Sci, 24, 2023
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8C5E
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![BU of 8c5e by Molmil](/molmil-images/mine/8c5e) | E. coli NfsB-T41Q/N71S/F124T mutant bound to nicotinic acid | 分子名称: | 1,2-ETHANEDIOL, FLAVIN MONONUCLEOTIDE, NICOTINIC ACID, ... | 著者 | White, S.A, Hyde, E.I, Day, M.A. | 登録日 | 2023-01-06 | 公開日 | 2023-04-19 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Structure and Dynamics of Three Escherichia coli NfsB Nitro-Reductase Mutants Selected for Enhanced Activity with the Cancer Prodrug CB1954. Int J Mol Sci, 24, 2023
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8C5F
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![BU of 8c5f by Molmil](/molmil-images/mine/8c5f) | E. coli NfsB-T41Q/N71S/F124T mutant bound to acetate | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, FLAVIN MONONUCLEOTIDE, ... | 著者 | White, S.A, Hyde, E.I, Day, M.A. | 登録日 | 2023-01-07 | 公開日 | 2023-04-19 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Structure and Dynamics of Three Escherichia coli NfsB Nitro-Reductase Mutants Selected for Enhanced Activity with the Cancer Prodrug CB1954. Int J Mol Sci, 24, 2023
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1GND
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![BU of 1gnd by Molmil](/molmil-images/mine/1gnd) | GUANINE NUCLEOTIDE DISSOCIATION INHIBITOR, ALPHA-ISOFORM | 分子名称: | GUANINE NUCLEOTIDE DISSOCIATION INHIBITOR | 著者 | Schalk, I, Zeng, K, Wu, S.-K, Stura, E.A, Metteson, J, Huang, M, Tandon, A, Wilson, I.A, Balch, W.E. | 登録日 | 1996-07-10 | 公開日 | 1997-02-12 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.81 Å) | 主引用文献 | Structure and mutational analysis of Rab GDP-dissociation inhibitor. Nature, 381, 1996
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7OCC
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![BU of 7occ by Molmil](/molmil-images/mine/7occ) | NTD of resting state GluA1/A2 heterotertramer | 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, Glutamate receptor 1, ... | 著者 | Zhang, D, Watson, J.F, Matthews, P.M, Cais, O, Greger, I.H. | 登録日 | 2021-04-26 | 公開日 | 2021-06-09 | 最終更新日 | 2021-06-30 | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | 主引用文献 | Gating and modulation of a hetero-octameric AMPA glutamate receptor. Nature, 594, 2021
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8CO6
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![BU of 8co6 by Molmil](/molmil-images/mine/8co6) | |
8CIM
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![BU of 8cim by Molmil](/molmil-images/mine/8cim) | BA.2-07 FAB IN COMPLEX WITH SARS-COV-2 BA.2.12.1 SPIKE GLYCOPROTEIN | 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, BA.2-07 FAB HEAVY CHAIN, ... | 著者 | Duyvesteyn, H.M.E, Ren, J, Stuart, D.I, Fry, E.E. | 登録日 | 2023-02-10 | 公開日 | 2023-07-05 | 実験手法 | ELECTRON MICROSCOPY (3 Å) | 主引用文献 | Isolation of a pair of potent broadly neutralizing mAb binding to RBD and SD1 domains of SARS-CoV-2 Res Sq, 2023
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