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PDB: 45855 件

7ZJK
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CspZ (BbCRASP-2) from Borrelia burgdorferi strain B408
分子名称: CspZ
著者Brangulis, K, Marcinkiewicz, A, Hart, T.M, Dupuis, A.P, Zamba Campero, M, Nowak, T.A, Stout, J.L, Akopjana, I, Kazaks, A, Bogans, J, Ciota, A.T, Kraiczy, P, Kolokotronis, S.O, Lin, Y.-P.
登録日2022-04-11
公開日2023-04-19
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Structural evolution of an immune evasion determinant shapes pathogen host tropism.
Proc.Natl.Acad.Sci.USA, 120, 2023
7ZJJ
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CspZ (BbCRASP-2) from Borrelia burgdorferi strain B379
分子名称: CspZ, NITRATE ION
著者Brangulis, K, Marcinkiewicz, A, Hart, T.M, Dupuis, A.P, Zamba Campero, M, Nowak, T.A, Stout, J.L, Akopjana, I, Kazaks, A, Bogans, J, Ciota, A.T, Kraiczy, P, Kolokotronis, S.O, Lin, Y.-P.
登録日2022-04-11
公開日2023-04-19
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural evolution of an immune evasion determinant shapes pathogen host tropism.
Proc.Natl.Acad.Sci.USA, 120, 2023
3EBF
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Structure of inhibited murine iNOS oxygenase domain
分子名称: (3R)-3-[(1,2,3,4-tetrahydroisoquinolin-7-yloxy)methyl]-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, Nitric oxide synthase, ...
著者Garcin, E.D, Arvai, A.S, Rosenfeld, R.J, Kroeger, M.D, Crane, B.R, Andersson, G, Andrews, G, Hamley, P.J, Mallinder, P.R, Nicholls, D.J, St-Gallay, S.A, Tinker, A.C, Gensmantel, N.P, Mete, A, Cheshire, D.R, Connolly, S, Stuehr, D.J, Aberg, A, Wallace, A.V, Tainer, J.A, Getzoff, E.D.
登録日2008-08-27
公開日2008-10-07
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase.
Nat.Chem.Biol., 4, 2008
6OTB
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BU of 6otb by Molmil
NMR structure of alpha conotoxin SII
分子名称: Alpha-conotoxin S2
著者Chin, Y.K.-Y, Wilhelm, P, Alewood, P.F.
登録日2019-05-02
公開日2020-05-06
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Structural and Pharmacological Characterization of alpha-Conotoxin SII: The sole member of framework II
To Be Published
6RVW
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BU of 6rvw by Molmil
Structure of right-handed protein cage consisting of 24 eleven-membered ring proteins held together by gold (I) bridges.
分子名称: GOLD ION, Transcription attenuation protein MtrB
著者Malay, A.D, Miyazaki, N, Biela, A.P, Iwasaki, K, Heddle, J.G.
登録日2019-06-03
公開日2019-06-12
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献An ultra-stable gold-coordinated protein cage displaying reversible assembly.
Nature, 569, 2019
3EPM
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BU of 3epm by Molmil
Crystal structure of Caulobacter crescentus ThiC
分子名称: 4-AMINO-5-HYDROXYMETHYL-2-METHYLPYRIMIDINE, SULFATE ION, Thiamine biosynthesis protein thiC, ...
著者Li, S, Chatterjee, A, Zhang, Y, Grove, T.L, Lee, M, Krebs, C, Booker, S.J, Begley, T.P, Ealick, S.E.
登録日2008-09-29
公開日2008-10-28
最終更新日2017-10-25
実験手法X-RAY DIFFRACTION (2.793 Å)
主引用文献Reconstitution of ThiC in thiamine pyrimidine biosynthesis expands the radical SAM superfamily
Nat.Chem.Biol., 4, 2008
6YA7
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Cdc7-Dbf4 bound to an Mcm2-S40 derived bivalent substrate
分子名称: ADENOSINE-5'-DIPHOSPHATE, Cell division cycle 7-related protein kinase,Cell division cycle 7-related protein kinase,Cell division cycle 7-related protein kinase, DNA replication licensing factor MCM2, ...
著者Dick, S.D, Cherepanov, P.
登録日2020-03-11
公開日2020-05-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Structural Basis for the Activation and Target Site Specificity of CDC7 Kinase.
Structure, 28, 2020
3EBD
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Structure of inhibited murine iNOS oxygenase domain
分子名称: (2S)-2-methyl-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, Nitric oxide synthase, ...
著者Garcin, E.D, Arvai, A.S, Rosenfeld, R.J, Kroeger, M.D, Crane, B.R, Andersson, G, Andrews, G, Hamley, P.J, Mallinder, P.R, Nicholls, D.J, St-Gallay, S.A, Tinker, A.C, Gensmantel, N.P, Mete, A, Cheshire, D.R, Connolly, S, Stuehr, D.J, Aberg, A, Wallace, A.V, Tainer, J.A, Getzoff, E.D.
登録日2008-08-27
公開日2008-10-07
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase.
Nat.Chem.Biol., 4, 2008
4UCQ
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BU of 4ucq by Molmil
Structure of the T18D small subunit mutant of D. fructosovorans NiFe- hydrogenase
分子名称: CARBONMONOXIDE-(DICYANO) IRON, FE3-S4 CLUSTER, GLYCEROL, ...
著者Abou-Hamdan, A, Ceccaldi, P, Lebrette, H, Guttierez-Sanz, O, Richaud, P, Cournac, L, Guigliarelli, B, deLacey, A.L, Leger, C, Volbeda, A, Burlat, B, Dementin, S.
登録日2014-12-04
公開日2015-02-18
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献A threonine stabilizes the NiC and NiR catalytic intermediates of [NiFe]-hydrogenase.
J. Biol. Chem., 290, 2015
7S11
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BU of 7s11 by Molmil
Crystal structure of Fab in complex with mouse CD96 monomer
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab heavy chain, Fab light chain, ...
著者Lee, P.S, Chau, B, Strop, P.
登録日2021-08-31
公開日2021-11-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.58 Å)
主引用文献Antibody blockade of CD96 by distinct molecular mechanisms.
Mabs, 13, 2021
8GCW
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BU of 8gcw by Molmil
Stx2A1(Y77A)-P6 peptide
分子名称: P stalk protein, rRNA N-glycosylase
著者Rudolph, M.J, Li, X.P.
登録日2023-03-03
公開日2024-03-06
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structure of the Stx2A1(Y77A) in complex with P6 peptide.
To Be Published
8BPF
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BU of 8bpf by Molmil
FcMR binding at subunit Fcu1 of IgM pentamer
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, Fas apoptotic inhibitory molecule 3, ...
著者Chen, Q, Rosenthal, P, Tolar, P.
登録日2022-11-16
公開日2023-04-12
最終更新日2023-07-26
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Structural basis for Fc receptor recognition of immunoglobulin M.
Nat.Struct.Mol.Biol., 30, 2023
4UE6
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BU of 4ue6 by Molmil
Structure of methylene blue-treated anaerobically purified D. fructosovorans NiFe-hydrogenase
分子名称: CARBONMONOXIDE-(DICYANO) IRON, FE3-S4 CLUSTER, GLYCEROL, ...
著者Volbeda, A, Martin, L, Liebgott, P.-P, Fontecilla-Camps, J.C.
登録日2014-12-16
公開日2015-03-25
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献[Nife]-Hydrogenases Revisited: Nickel-Carboxamido Bond Formation in a Variant with Accrued O2-Tolerance and a Tentative Re-Interpretation of Ni-Si States.
Metallomics, 7, 2015
7RUE
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BU of 7rue by Molmil
DAHP synthase complexed with trifluoropyruvate semicarbazone
分子名称: (2E)-2-(2-carbamoylhydrazinylidene)-3,3,3-trifluoropropanoic acid, MANGANESE (II) ION, Phospho-2-dehydro-3-deoxyheptonate aldolase, ...
著者Heimhalt, M, Mukherjee, P, Grainger, R, Szabla, R, Brown, C, Turner, R, Junop, M.S, Berti, P.J.
登録日2021-08-16
公開日2021-11-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献An Inhibitor-in-Pieces Approach to DAHP Synthase Inhibition: Potent Enzyme and Bacterial Growth Inhibition.
Acs Infect Dis., 7, 2021
8BPE
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BU of 8bpe by Molmil
8:1 binding of FcMR on IgM pentameric core
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, Fas apoptotic inhibitory molecule 3, ...
著者Chen, Q, Rosenthal, P, Tolar, P.
登録日2022-11-16
公開日2023-04-12
最終更新日2023-07-26
実験手法ELECTRON MICROSCOPY (3.63 Å)
主引用文献Structural basis for Fc receptor recognition of immunoglobulin M.
Nat.Struct.Mol.Biol., 30, 2023
4UNC
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BU of 4unc by Molmil
THE CRYSTAL STRUCTURE OF I-DMOI IN COMPLEX WITH ITS TARGET DNA AT 8 DAYS INCUBATION IN 5MM MN (STATE 6)
分子名称: 5'-D(*CP*CP*GP*GP*CP*AP*AP*GP*GP*C)-3', 5'-D(*CP*GP*CP*GP*CP*CP*GP*GP*AP*AP*CP*TP*TP*AP*C)-3', 5'-D(*GP*CP*CP*TP*TP*GP*CP*CP*GP*GP*GP*TP*AP*A)-3', ...
著者Molina, R, Stella, S, Redondo, P, Gomez, H, Marcaida, M.J, Orozco, M, Prieto, J, Montoya, G.
登録日2014-05-26
公開日2014-12-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Visualizing Phosphodiester-Bond Hydrolysis by an Endonuclease.
Nat.Struct.Mol.Biol., 22, 2015
3E6N
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BU of 3e6n by Molmil
Structure of murine INOS oxygenase domain with inhibitor AR-C125813
分子名称: 4-METHYL-6-PROPYLPYRIDIN-2-AMINE, 5,6,7,8-TETRAHYDROBIOPTERIN, Nitric oxide synthase, ...
著者Garcin, E.D, Arvai, A.S, Rosenfeld, R.J, Kroeger, M.D, Crane, B.R, Andersson, G, Andrews, G, Hamley, P.J, Mallinder, P.R, Nicholls, D.J, St-Gallay, S.A, Tinker, A.C, Gensmantel, N.P, Mete, A, Cheshire, D.R, Connolly, S, Stueh, D.J, Aberg, A, Wallace, A.V, Tainer, J.A, Getzoff, E.D.
登録日2008-08-15
公開日2008-10-07
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase.
Nat.Chem.Biol., 4, 2008
6TNU
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BU of 6tnu by Molmil
Yeast 80S ribosome in complex with eIF5A and decoding A-site and P-site tRNAs.
分子名称: 18S rRNA, 25S rRNA, 4-{(2R)-2-[(1S,3S,5S)-3,5-dimethyl-2-oxocyclohexyl]-2-hydroxyethyl}piperidine-2,6-dione, ...
著者Buschauer, R, Cheng, J, Berninghausen, O, Tesina, P, Becker, T, Beckmann, R.
登録日2019-12-10
公開日2020-04-22
最終更新日2020-04-29
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献The Ccr4-Not complex monitors the translating ribosome for codon optimality.
Science, 368, 2020
3EAI
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BU of 3eai by Molmil
Structure of inhibited murine iNOS oxygenase domain
分子名称: 4-({4-[(4-methoxypyridin-2-yl)amino]piperidin-1-yl}carbonyl)benzonitrile, 5,6,7,8-TETRAHYDROBIOPTERIN, Nitric oxide synthase, ...
著者Garcin, E.D, Arvai, A.S, Rosenfeld, R.J, Kroeger, M.D, Crane, B.R, Andersson, G, Andrews, G, Hamley, P.J, Mallinder, P.R, Nicholls, D.J, St-Gallay, S.A, Tinker, A.C, Gensmantel, N.P, Mete, A, Cheshire, D.R, Connolly, S, Stuehr, D.J, Aberg, A, Wallace, A.V, Tainer, J.A, Getzoff, E.D.
登録日2008-08-25
公開日2008-10-07
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase.
Nat.Chem.Biol., 4, 2008
4UN7
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THE CRYSTAL STRUCTURE OF I-DMOI IN COMPLEX WITH ITS TARGET DNA BEFORE INCUBATION IN 5MM MN (STATE 1)
分子名称: 25MER, HOMING ENDONUCLEASE I-DMOI, ZINC ION
著者Molina, R, Stella, S, Redondo, P, Gomez, H, Marcaida, M.J, Orozco, M, Prieto, J, Montoya, G.
登録日2014-05-26
公開日2014-12-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Visualizing Phosphodiester-Bond Hydrolysis by an Endonuclease.
Nat.Struct.Mol.Biol., 22, 2015
4UNB
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BU of 4unb by Molmil
THE CRYSTAL STRUCTURE OF I-DMOI IN COMPLEX WITH ITS TARGET DNA AT 6 DAYS INCUBATION IN 5MM MN (STATE 5)
分子名称: 5'-D(*CP*CP*GP*GP*CP*AP*AP*GP*GP*C)-3', 5'-D(*CP*GP*CP*GP*CP*CP*GP*GP*AP*AP*CP*TP*TP*AP*C)-3', 5'-D(*GP*CP*CP*TP*TP*GP*CP*CP*GP*GP*GP*TP*AP*A)-3', ...
著者Molina, R, Stella, S, Redondo, P, Gomez, H, Marcaida, M.J, Orozco, M, Prieto, J, Montoya, G.
登録日2014-05-26
公開日2014-12-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Visualizing Phosphodiester-Bond Hydrolysis by an Endonuclease.
Nat.Struct.Mol.Biol., 22, 2015
7A6K
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Crystal Structure of EGFR-T790M/V948R in Complex with TAK-788
分子名称: Epidermal growth factor receptor, SULFATE ION, propan-2-yl 2-[[4-[2-(dimethylamino)ethyl-methyl-amino]-2-methoxy-5-(propanoylamino)phenyl]amino]-4-(1-methylindol-3-yl)pyrimidine-5-carboxylate
著者Niggenaber, J, Mueller, M.P, Rauh, D.
登録日2020-08-25
公開日2022-02-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Insight into Targeting Exon20 Insertion Mutations of the Epidermal Growth Factor Receptor with Wild Type-Sparing Inhibitors.
J.Med.Chem., 65, 2022
7GB8
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Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with JAN-GHE-83b26c96-14 (Mpro-x10247)
分子名称: 3C-like proteinase, DIMETHYL SULFOXIDE, N-(4-methylpyridin-3-yl)-2-[3-(trifluoromethyl)phenyl]acetamide
著者Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F.
登録日2023-08-11
公開日2023-11-08
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.957 Å)
主引用文献Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
7GBK
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Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with ALP-POS-95b75b4d-2 (Mpro-x10359)
分子名称: 2-(3-hydroxyphenyl)-N-(4-methylpyridin-3-yl)acetamide, 3C-like proteinase, DIMETHYL SULFOXIDE
著者Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F.
登録日2023-08-11
公開日2023-11-08
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
7GBA
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Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with ANT-OPE-d972fbad-1 (Mpro-x10296)
分子名称: 1-{4-[(4-fluorophenyl)methyl]piperazin-1-yl}propan-1-one, 3C-like proteinase, DIMETHYL SULFOXIDE
著者Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F.
登録日2023-08-11
公開日2023-11-08
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.699 Å)
主引用文献Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023

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