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PDB: 17801 件

7AXM
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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
6GB5
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BU of 6gb5 by Molmil
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
3BVB
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BU of 3bvb by Molmil
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
3BVF
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BU of 3bvf by Molmil
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
3BPM
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BU of 3bpm by Molmil
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
3BVI
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BU of 3bvi by Molmil
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
3BVA
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BU of 3bva by Molmil
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
4DP6
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BU of 4dp6 by Molmil
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
4DPC
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BU of 4dpc by Molmil
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
3BPF
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BU of 3bpf by Molmil
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
1GPI
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BU of 1gpi by Molmil
Cellobiohydrolase Cel7D (CBH 58) from Phanerochaete chrysosporium. Catalytic module at 1.32 Angstrom resolution
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, EXOGLUCANASE I
著者Munoz, I.G, Mowbray, S.L, Stahlberg, J.
登録日2001-11-05
公開日2002-01-01
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.32 Å)
主引用文献Family 7 Cellobiohydrolases from Phanerochaete Chrysosporium: Crystal Structure of the Catalytic Module of Cel7D (Cbh58) at 1.32 Angstrom Resolution and Homology Models of the Isozymes.
J.Mol.Biol., 314, 2001
4UXS
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BU of 4uxs by Molmil
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
3C2A
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BU of 3c2a by Molmil
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
3BP8
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BU of 3bp8 by Molmil
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
3J79
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BU of 3j79 by Molmil
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
1HB1
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BU of 1hb1 by Molmil
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
5C4X
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BU of 5c4x by Molmil
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
8C5P
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BU of 8c5p by Molmil
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
8CJ0
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BU of 8cj0 by Molmil
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
8C5E
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BU of 8c5e by Molmil
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
8C5F
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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
1GND
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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
7OCC
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BU of 7occ by Molmil
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
8CO6
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BU of 8co6 by Molmil
Subtomogram average of Immature Rotavirus TLP penton
分子名称: Inner capsid protein VP2, Intermediate capsid protein VP6, Outer capsid glycoprotein VP7, ...
著者Shah, P.N.M, Stuart, D.I.
登録日2023-02-27
公開日2023-05-10
実験手法ELECTRON MICROSCOPY (4.7 Å)
主引用文献Characterization of the rotavirus assembly pathway in situ using cryoelectron tomography.
Cell Host Microbe, 31, 2023
8CIM
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BU of 8cim by Molmil
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

223532

件を2024-08-07に公開中

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