7ZJK
 
 | | CspZ (BbCRASP-2) from Borrelia burgdorferi strain B408 | | Descriptor: | CspZ | | Authors: | 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. | | Deposit date: | 2022-04-11 | | Release date: | 2023-04-19 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Structural evolution of an immune evasion determinant shapes pathogen host tropism.
Proc.Natl.Acad.Sci.USA, 120, 2023
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7ZJJ
 | | CspZ (BbCRASP-2) from Borrelia burgdorferi strain B379 | | Descriptor: | CspZ, NITRATE ION | | Authors: | 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. | | Deposit date: | 2022-04-11 | | Release date: | 2023-04-19 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural evolution of an immune evasion determinant shapes pathogen host tropism.
Proc.Natl.Acad.Sci.USA, 120, 2023
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3EBF
 | | Structure of inhibited murine iNOS oxygenase domain | | Descriptor: | (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, ... | | Authors: | 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. | | Deposit date: | 2008-08-27 | | Release date: | 2008-10-07 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase.
Nat.Chem.Biol., 4, 2008
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6OTB
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6RVW
 | | Structure of right-handed protein cage consisting of 24 eleven-membered ring proteins held together by gold (I) bridges. | | Descriptor: | GOLD ION, Transcription attenuation protein MtrB | | Authors: | Malay, A.D, Miyazaki, N, Biela, A.P, Iwasaki, K, Heddle, J.G. | | Deposit date: | 2019-06-03 | | Release date: | 2019-06-12 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | An ultra-stable gold-coordinated protein cage displaying reversible assembly.
Nature, 569, 2019
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3EPM
 | | Crystal structure of Caulobacter crescentus ThiC | | Descriptor: | 4-AMINO-5-HYDROXYMETHYL-2-METHYLPYRIMIDINE, SULFATE ION, Thiamine biosynthesis protein thiC, ... | | Authors: | Li, S, Chatterjee, A, Zhang, Y, Grove, T.L, Lee, M, Krebs, C, Booker, S.J, Begley, T.P, Ealick, S.E. | | Deposit date: | 2008-09-29 | | Release date: | 2008-10-28 | | Last modified: | 2017-10-25 | | Method: | X-RAY DIFFRACTION (2.793 Å) | | Cite: | Reconstitution of ThiC in thiamine pyrimidine biosynthesis expands the radical SAM superfamily
Nat.Chem.Biol., 4, 2008
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6YA7
 | | Cdc7-Dbf4 bound to an Mcm2-S40 derived bivalent substrate | | Descriptor: | 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, ... | | Authors: | Dick, S.D, Cherepanov, P. | | Deposit date: | 2020-03-11 | | Release date: | 2020-05-27 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | Structural Basis for the Activation and Target Site Specificity of CDC7 Kinase.
Structure, 28, 2020
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3EBD
 | | Structure of inhibited murine iNOS oxygenase domain | | Descriptor: | (2S)-2-methyl-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, Nitric oxide synthase, ... | | Authors: | 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. | | Deposit date: | 2008-08-27 | | Release date: | 2008-10-07 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase.
Nat.Chem.Biol., 4, 2008
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7S11
 | | Crystal structure of Fab in complex with mouse CD96 monomer | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab heavy chain, Fab light chain, ... | | Authors: | Lee, P.S, Chau, B, Strop, P. | | Deposit date: | 2021-08-31 | | Release date: | 2021-11-03 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.58 Å) | | Cite: | Antibody blockade of CD96 by distinct molecular mechanisms.
Mabs, 13, 2021
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4UCQ
 | | Structure of the T18D small subunit mutant of D. fructosovorans NiFe- hydrogenase | | Descriptor: | CARBONMONOXIDE-(DICYANO) IRON, FE3-S4 CLUSTER, GLYCEROL, ... | | Authors: | 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. | | Deposit date: | 2014-12-04 | | Release date: | 2015-02-18 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | A threonine stabilizes the NiC and NiR catalytic intermediates of [NiFe]-hydrogenase.
J. Biol. Chem., 290, 2015
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8GCW
 | | Stx2A1(Y77A)-P6 peptide | | Descriptor: | P stalk protein, rRNA N-glycosylase | | Authors: | Rudolph, M.J, Li, X.P. | | Deposit date: | 2023-03-03 | | Release date: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structure of the Stx2A1(Y77A) in complex with P6 peptide.
To Be Published
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8BPF
 | | FcMR binding at subunit Fcu1 of IgM pentamer | | Descriptor: | 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, ... | | Authors: | Chen, Q, Rosenthal, P, Tolar, P. | | Deposit date: | 2022-11-16 | | Release date: | 2023-04-12 | | Last modified: | 2023-07-26 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Structural basis for Fc receptor recognition of immunoglobulin M.
Nat.Struct.Mol.Biol., 30, 2023
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4UE6
 | | Structure of methylene blue-treated anaerobically purified D. fructosovorans NiFe-hydrogenase | | Descriptor: | CARBONMONOXIDE-(DICYANO) IRON, FE3-S4 CLUSTER, GLYCEROL, ... | | Authors: | Volbeda, A, Martin, L, Liebgott, P.-P, Fontecilla-Camps, J.C. | | Deposit date: | 2014-12-16 | | Release date: | 2015-03-25 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | [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
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7RUE
 | | DAHP synthase complexed with trifluoropyruvate semicarbazone | | Descriptor: | (2E)-2-(2-carbamoylhydrazinylidene)-3,3,3-trifluoropropanoic acid, MANGANESE (II) ION, Phospho-2-dehydro-3-deoxyheptonate aldolase, ... | | Authors: | Heimhalt, M, Mukherjee, P, Grainger, R, Szabla, R, Brown, C, Turner, R, Junop, M.S, Berti, P.J. | | Deposit date: | 2021-08-16 | | Release date: | 2021-11-17 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | An Inhibitor-in-Pieces Approach to DAHP Synthase Inhibition: Potent Enzyme and Bacterial Growth Inhibition.
Acs Infect Dis., 7, 2021
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8BPE
 | | 8:1 binding of FcMR on IgM pentameric core | | Descriptor: | 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, ... | | Authors: | Chen, Q, Rosenthal, P, Tolar, P. | | Deposit date: | 2022-11-16 | | Release date: | 2023-04-12 | | Last modified: | 2023-07-26 | | Method: | ELECTRON MICROSCOPY (3.63 Å) | | Cite: | Structural basis for Fc receptor recognition of immunoglobulin M.
Nat.Struct.Mol.Biol., 30, 2023
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4UNC
 | | THE CRYSTAL STRUCTURE OF I-DMOI IN COMPLEX WITH ITS TARGET DNA AT 8 DAYS INCUBATION IN 5MM MN (STATE 6) | | Descriptor: | 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', ... | | Authors: | Molina, R, Stella, S, Redondo, P, Gomez, H, Marcaida, M.J, Orozco, M, Prieto, J, Montoya, G. | | Deposit date: | 2014-05-26 | | Release date: | 2014-12-17 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Visualizing Phosphodiester-Bond Hydrolysis by an Endonuclease.
Nat.Struct.Mol.Biol., 22, 2015
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3E6N
 | | Structure of murine INOS oxygenase domain with inhibitor AR-C125813 | | Descriptor: | 4-METHYL-6-PROPYLPYRIDIN-2-AMINE, 5,6,7,8-TETRAHYDROBIOPTERIN, Nitric oxide synthase, ... | | Authors: | 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. | | Deposit date: | 2008-08-15 | | Release date: | 2008-10-07 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase.
Nat.Chem.Biol., 4, 2008
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6TNU
 | | Yeast 80S ribosome in complex with eIF5A and decoding A-site and P-site tRNAs. | | Descriptor: | 18S rRNA, 25S rRNA, 4-{(2R)-2-[(1S,3S,5S)-3,5-dimethyl-2-oxocyclohexyl]-2-hydroxyethyl}piperidine-2,6-dione, ... | | Authors: | Buschauer, R, Cheng, J, Berninghausen, O, Tesina, P, Becker, T, Beckmann, R. | | Deposit date: | 2019-12-10 | | Release date: | 2020-04-22 | | Last modified: | 2020-04-29 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | The Ccr4-Not complex monitors the translating ribosome for codon optimality.
Science, 368, 2020
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3EAI
 | | Structure of inhibited murine iNOS oxygenase domain | | Descriptor: | 4-({4-[(4-methoxypyridin-2-yl)amino]piperidin-1-yl}carbonyl)benzonitrile, 5,6,7,8-TETRAHYDROBIOPTERIN, Nitric oxide synthase, ... | | Authors: | 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. | | Deposit date: | 2008-08-25 | | Release date: | 2008-10-07 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase.
Nat.Chem.Biol., 4, 2008
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4UN7
 | | THE CRYSTAL STRUCTURE OF I-DMOI IN COMPLEX WITH ITS TARGET DNA BEFORE INCUBATION IN 5MM MN (STATE 1) | | Descriptor: | 25MER, HOMING ENDONUCLEASE I-DMOI, ZINC ION | | Authors: | Molina, R, Stella, S, Redondo, P, Gomez, H, Marcaida, M.J, Orozco, M, Prieto, J, Montoya, G. | | Deposit date: | 2014-05-26 | | Release date: | 2014-12-03 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Visualizing Phosphodiester-Bond Hydrolysis by an Endonuclease.
Nat.Struct.Mol.Biol., 22, 2015
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4UNB
 | | THE CRYSTAL STRUCTURE OF I-DMOI IN COMPLEX WITH ITS TARGET DNA AT 6 DAYS INCUBATION IN 5MM MN (STATE 5) | | Descriptor: | 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', ... | | Authors: | Molina, R, Stella, S, Redondo, P, Gomez, H, Marcaida, M.J, Orozco, M, Prieto, J, Montoya, G. | | Deposit date: | 2014-05-26 | | Release date: | 2014-12-17 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Visualizing Phosphodiester-Bond Hydrolysis by an Endonuclease.
Nat.Struct.Mol.Biol., 22, 2015
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7A6K
 | | Crystal Structure of EGFR-T790M/V948R in Complex with TAK-788 | | Descriptor: | 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 | | Authors: | Niggenaber, J, Mueller, M.P, Rauh, D. | | Deposit date: | 2020-08-25 | | Release date: | 2022-02-23 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Insight into Targeting Exon20 Insertion Mutations of the Epidermal Growth Factor Receptor with Wild Type-Sparing Inhibitors.
J.Med.Chem., 65, 2022
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7GB8
 | | 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) | | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, N-(4-methylpyridin-3-yl)-2-[3-(trifluoromethyl)phenyl]acetamide | | Authors: | 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. | | Deposit date: | 2023-08-11 | | Release date: | 2023-11-08 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.957 Å) | | Cite: | Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
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7GBK
 | | 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) | | Descriptor: | 2-(3-hydroxyphenyl)-N-(4-methylpyridin-3-yl)acetamide, 3C-like proteinase, DIMETHYL SULFOXIDE | | Authors: | 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. | | Deposit date: | 2023-08-11 | | Release date: | 2023-11-08 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
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7GBA
 | | 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) | | Descriptor: | 1-{4-[(4-fluorophenyl)methyl]piperazin-1-yl}propan-1-one, 3C-like proteinase, DIMETHYL SULFOXIDE | | Authors: | 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. | | Deposit date: | 2023-08-11 | | Release date: | 2023-11-08 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.699 Å) | | Cite: | Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
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