7JT0
 
 | | Crystal structure of SARS-CoV-2 3CL protease in complex with MAC5576 | | Descriptor: | 3C-like proteinase, PHOSPHATE ION, thiophene-2-carbaldehyde | | Authors: | Iketani, S, Forouhar, F, Liu, H, Hong, S.J, Lin, F.-Y, Nair, M.S, Zask, A, Huang, Y, Xing, L, Stockwell, B.R, Chavez, A, Ho, D.D. | | Deposit date: | 2020-08-16 | | Release date: | 2021-03-10 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Lead compounds for the development of SARS-CoV-2 3CL protease inhibitors.
Nat Commun, 12, 2021
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7JW8
 | | Crystal structure of SARS-CoV-2 3CL protease in complex with compound 4 in space group P1 | | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3C-like proteinase, ethyl (4R)-4-[[(2S)-4-methyl-2-[[(2S,3R)-3-[(2-methylpropan-2-yl)oxy]-2-(phenylmethoxycarbonylamino)butanoyl]amino]pentanoyl]amino]-5-[(3S)-2-oxidanylidenepyrrolidin-3-yl]pentanoate | | Authors: | Iketani, S, Forouhar, F, Liu, H, Hong, S.J, Lin, F.-Y, Nair, M.S, Zask, A, Xing, L, Stockwell, B.R, Chavez, A, Ho, D.D. | | Deposit date: | 2020-08-25 | | Release date: | 2021-03-10 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Lead compounds for the development of SARS-CoV-2 3CL protease inhibitors.
Nat Commun, 12, 2021
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7JSU
 | | Crystal structure of SARS-CoV-2 3CL protease in complex with GC376 | | Descriptor: | 3C-like proteinase, N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide, PHOSPHATE ION | | Authors: | Iketani, S, Forouhar, F, Liu, H, Hong, S.J, Lin, F.-Y, Nair, M.S, Zask, A, Xing, L, Stockwell, B.R, Chavez, A, Ho, D.D. | | Deposit date: | 2020-08-16 | | Release date: | 2021-03-10 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Lead compounds for the development of SARS-CoV-2 3CL protease inhibitors.
Nat Commun, 12, 2021
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7JT7
 | | Crystal structure of SARS-CoV-2 3CL protease in complex with compound 4 | | Descriptor: | 3C-like proteinase, ethyl (4R)-4-[[(2S)-4-methyl-2-[[(2S,3R)-3-[(2-methylpropan-2-yl)oxy]-2-(phenylmethoxycarbonylamino)butanoyl]amino]pentanoyl]amino]-5-[(3S)-2-oxidanylidenepyrrolidin-3-yl]pentanoate | | Authors: | Iketani, S, Forouhar, F, Liu, H, Hong, S.J, Lin, F.-Y, Nair, M.S, Zask, A, Huang, Y, Xing, L, Stockwell, B.R, Chavez, A, Ho, D.D. | | Deposit date: | 2020-08-17 | | Release date: | 2021-03-17 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Lead compounds for the development of SARS-CoV-2 3CL protease inhibitors.
Nat Commun, 12, 2021
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3BN4
 | | Carboxysome Subunit, CcmK1 | | Descriptor: | Carbon dioxide-concentrating mechanism protein ccmK homolog 1, SULFATE ION | | Authors: | Tanaka, S, Sawaya, M.R, Yeates, T.O. | | Deposit date: | 2007-12-13 | | Release date: | 2008-03-04 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Atomic-level models of the bacterial carboxysome shell.
Science, 319, 2008
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2Z1C
 | | Crystal structure of HypC from Thermococcus kodakaraensis KOD1 | | Descriptor: | GLYCEROL, Hydrogenase expression/formation protein HypC, TETRAETHYLENE GLYCOL | | Authors: | Watanabe, S, Matsumi, R, Arai, T, Atomi, H, Imanaka, T, Miki, K. | | Deposit date: | 2007-05-08 | | Release date: | 2007-07-17 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal Structures of [NiFe] Hydrogenase Maturation Proteins HypC, HypD, and HypE: Insights into Cyanation Reaction by Thiol Redox Signaling
Mol.Cell, 27, 2007
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2Z9H
 | | Ethanolamine utilization protein, EutN | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, CHLORIDE ION, Ethanolamine utilization protein eutN | | Authors: | Tanaka, S, Sawaya, M.R, Yeates, T.O. | | Deposit date: | 2007-09-20 | | Release date: | 2007-10-02 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.71 Å) | | Cite: | The crystal structure of ethanolamine utilization protein EutN from E. coli
To be Published
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2Z1F
 | | Crystal structure of HypE from Thermococcus kodakaraensis (inward form) | | Descriptor: | Hydrogenase expression/formation protein HypE | | Authors: | Watanabe, S, Matsumi, R, Arai, T, Atomi, H, Imanaka, T, Miki, K. | | Deposit date: | 2007-05-08 | | Release date: | 2007-07-17 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal Structures of [NiFe] Hydrogenase Maturation Proteins HypC, HypD, and HypE: Insights into Cyanation Reaction by Thiol Redox Signaling
Mol.Cell, 27, 2007
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1XUO
 | | X-ray structure of LFA-1 I-domain bound to a 1,4-diazepane-2,5-dione inhibitor at 1.8A resolution | | Descriptor: | (2R)-2-[3-ISOBUTYL-2,5-DIOXO-4-(QUINOLIN-3-YLMETHYL)-1,4-DIAZEPAN-1-YL]-N-METHYL-3-(2-NAPHTHYL)PROPANAMIDE, Integrin alpha-L, MAGNESIUM ION | | Authors: | Wattanasin, S, Kallen, J, Myers, S, Guo, Q, Sabio, M, Ehrhardt, C, Albert, R, Hommel, U, Weckbecker, G, Welzenbach, K. | | Deposit date: | 2004-10-26 | | Release date: | 2005-10-26 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | 1,4-Diazepane-2,5-diones as novel inhibitors of LFA-1
Bioorg.Med.Chem.Lett., 15, 2005
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2ZQ5
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2Z1E
 | | Crystal structure of HypE from Thermococcus kodakaraensis (outward form) | | Descriptor: | Hydrogenase expression/formation protein HypE | | Authors: | Watanabe, S, Matsumi, R, Arai, T, Atomi, H, Imanaka, T, Miki, K. | | Deposit date: | 2007-05-08 | | Release date: | 2007-07-17 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Crystal Structures of [NiFe] Hydrogenase Maturation Proteins HypC, HypD, and HypE: Insights into Cyanation Reaction by Thiol Redox Signaling
Mol.Cell, 27, 2007
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5WRJ
 | | Crystal structure of human tyrosylprotein sulfotransferase-1 complexed with PAP and gastrin peptide | | Descriptor: | ADENOSINE-3'-5'-DIPHOSPHATE, MAGNESIUM ION, Protein-tyrosine sulfotransferase 1, ... | | Authors: | Tanaka, S, Nishiyori, T, Kojo, H, Otsubo, R, Kakuta, Y. | | Deposit date: | 2016-12-02 | | Release date: | 2017-09-06 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | Structural basis for the broad substrate specificity of the human tyrosylprotein sulfotransferase-1.
Sci Rep, 7, 2017
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3A43
 | | Crystal structure of HypA | | Descriptor: | Hydrogenase nickel incorporation protein hypA, ZINC ION | | Authors: | Watanabe, S, Arai, T, Matsumi, R, Aromi, H, Imanaka, T, Miki, K. | | Deposit date: | 2009-06-30 | | Release date: | 2009-10-06 | | Last modified: | 2016-12-21 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structure of HypA, a nickel-binding metallochaperone for [NiFe] hydrogenase maturation.
J.Mol.Biol., 394, 2009
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5WRI
 | | Crystal structure of human tyrosylprotein sulfotransferase-1 complexed with PAP and C4 peptide | | Descriptor: | ADENOSINE-3'-5'-DIPHOSPHATE, ASP-PHE-GLU-ASP-TYR-GLU-PHE-ASP, GLYCEROL, ... | | Authors: | Tanaka, S, Nishiyori, T, Kojo, H, Otsubo, R, Kakuta, Y. | | Deposit date: | 2016-12-02 | | Release date: | 2017-09-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural basis for the broad substrate specificity of the human tyrosylprotein sulfotransferase-1.
Sci Rep, 7, 2017
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2ZHH
 | | Crystal structure of SoxR | | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, FE2/S2 (INORGANIC) CLUSTER, Redox-sensitive transcriptional activator soxR | | Authors: | Watanabe, S, Kita, A, Kobayashi, K, Miki, K. | | Deposit date: | 2008-02-05 | | Release date: | 2008-03-25 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Crystal structure of the [2Fe-2S] oxidative-stress sensor SoxR bound to DNA
Proc.Natl.Acad.Sci.Usa, 105, 2008
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2Z1D
 | | Crystal structure of [NiFe] hydrogenase maturation protein, HypD from Thermococcus kodakaraensis | | Descriptor: | Hydrogenase expression/formation protein hypD, IRON/SULFUR CLUSTER | | Authors: | Watanabe, S, Matsumi, R, Arai, T, Atomi, H, Imanaka, T, Miki, K. | | Deposit date: | 2007-05-08 | | Release date: | 2007-07-17 | | Last modified: | 2014-11-12 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Crystal Structures of [NiFe] Hydrogenase Maturation Proteins HypC, HypD, and HypE: Insights into Cyanation Reaction by Thiol Redox Signaling
Mol.Cell, 27, 2007
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2ZHG
 | | Crystal structure of SoxR in complex with DNA | | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, DNA (5'-D(*DGP*DCP*DCP*DTP*DCP*DAP*DAP*DGP*DTP*DTP*DAP*DAP*DCP*DTP*DTP*DGP*DAP*DGP*DGP*DC)-3'), FE2/S2 (INORGANIC) CLUSTER, ... | | Authors: | Watanabe, S, Kita, A, Kobayashi, K, Miki, K. | | Deposit date: | 2008-02-05 | | Release date: | 2008-03-25 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal structure of the [2Fe-2S] oxidative-stress sensor SoxR bound to DNA
Proc.Natl.Acad.Sci.Usa, 105, 2008
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3A44
 | | Crystal structure of HypA in the dimeric form | | Descriptor: | Hydrogenase nickel incorporation protein hypA, ZINC ION | | Authors: | Watanabe, S, Arai, T, Matsumi, R, Atomi, H, Imanaka, T, Miki, K. | | Deposit date: | 2009-06-30 | | Release date: | 2009-10-06 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (3.31 Å) | | Cite: | Crystal structure of HypA, a nickel-binding metallochaperone for [NiFe] hydrogenase maturation.
J.Mol.Biol., 394, 2009
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3CIM
 | | Carboxysome shell protein, CcmK2 C-terminal deletion mutant | | Descriptor: | Carbon dioxide-concentrating mechanism protein ccmK homolog 2, GLYCEROL, SULFATE ION | | Authors: | Tanaka, S, Sawaya, M.R, Yeates, T.O. | | Deposit date: | 2008-03-11 | | Release date: | 2009-02-03 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Insights from multiple structures of the shell proteins from the beta-carboxysome.
Protein Sci., 18, 2009
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6CYJ
 | | Mycobacterium tuberculosis transcriptional regulator | | Descriptor: | HTH-type transcriptional regulator PrpR, IRON/SULFUR CLUSTER, SUCCINYL-COENZYME A | | Authors: | Tang, S, Sacchettini, J. | | Deposit date: | 2018-04-05 | | Release date: | 2019-04-17 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.699 Å) | | Cite: | Structural and functional insight into the Mycobacterium tuberculosis protein PrpR reveals a novel type of transcription factor.
Nucleic Acids Res., 47, 2019
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6CZ6
 | | Mycobacterium tuberculosis transcriptional regulator | | Descriptor: | COENZYME A, HTH-type transcriptional regulator PrpR, IRON/SULFUR CLUSTER | | Authors: | Tang, S, Sacchettini, J. | | Deposit date: | 2018-04-08 | | Release date: | 2019-04-17 | | Last modified: | 2019-10-30 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural and functional insight into the Mycobacterium tuberculosis protein PrpR reveals a novel type of transcription factor.
Nucleic Acids Res., 47, 2019
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6D8I
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6D8J
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3DNC
 | | Carboxysome shell protein, CcmK2 C-terminal deletion mutant, with a closer spacing between hexamers | | Descriptor: | Carbon dioxide-concentrating mechanism protein ccmK homolog 2, GLYCEROL, SULFATE ION | | Authors: | Tanaka, S, Sawaya, M.R, Yeates, T.O. | | Deposit date: | 2008-07-01 | | Release date: | 2009-01-20 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Insights from multiple structures of the shell proteins from the beta-carboxysome.
Protein Sci., 18, 2009
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6D2S
 | | Mycobacterium tuberculosis transcriptional regulator | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Tang, S, Sacchettini, J. | | Deposit date: | 2018-04-13 | | Release date: | 2019-04-17 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.819 Å) | | Cite: | Structural and functional insight into the Mycobacterium tuberculosis protein PrpR reveals a novel type of transcription factor.
Nucleic Acids Res., 47, 2019
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