7TIY
 
 | | Crystal structure of SARS-CoV-2 3CL in complex with inhibitor NK01-48 | | Descriptor: | (1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-[(N-{[(2,4,5-trifluorophenyl)methoxy]carbonyl}-L-leucyl)amino]propane-1-sulfonic acid, 1,2-ETHANEDIOL, 3C-like proteinase nsp5, ... | | Authors: | Forouhar, F, Liu, H, Iketani, S, Zack, A, Khanizeman, N, Bednarova, E, Fowler, B, Hong, S.J, Mohri, H, Nair, M.S, Huang, Y, Tay, N.E.S, Lee, S, Karan, C, Resnick, S.J, Quinn, C, Li, W, Shion, H, Jurtschenko, C, Lauber, M.A, McDonald, T, Stokes, M.E, Hurst, B, Rovis, T, Chavez, A, Ho, D.D, Stockwell, B.R. | | Deposit date: | 2022-01-14 | | Release date: | 2022-05-04 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Development of optimized drug-like small molecule inhibitors of the SARS-CoV-2 3CL protease for treatment of COVID-19.
Nat Commun, 13, 2022
|
|
7TIZ
 | | Crystal structure of SARS-CoV-2 3CL in complex with inhibitor NK01-63 | | Descriptor: | (1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[3-(trifluoromethyl)phenyl]methoxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid, 1,2-ETHANEDIOL, 3C-like proteinase nsp5, ... | | Authors: | Forouhar, F, Liu, H, Iketani, S, Zack, A, Khanizeman, N, Bednarova, E, Fowler, B, Hong, S.J, Mohri, H, Nair, M.S, Huang, Y, Tay, N.E.S, Lee, S, Karan, C, Resnick, S.J, Quinn, C, Li, W, Shion, H, Jurtschenko, C, Lauber, M.A, McDonald, T, Stokes, M.E, Hurst, B, Rovis, T, Chavez, A, Ho, D.D, Stockwell, B.R. | | Deposit date: | 2022-01-14 | | Release date: | 2022-05-04 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Development of optimized drug-like small molecule inhibitors of the SARS-CoV-2 3CL protease for treatment of COVID-19.
Nat Commun, 13, 2022
|
|
7TIW
 | | Crystal structure of SARS-CoV-2 3CL in complex with inhibitor EB54 | | Descriptor: | (1S,2S)-2-[(N-{[(2-chlorophenyl)methoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5, PHOSPHATE ION | | Authors: | Forouhar, F, Liu, H, Iketani, S, Zack, A, Khanizeman, N, Bednarova, E, Fowler, B, Hong, S.J, Mohri, H, Nair, M.S, Huang, Y, Tay, N.E.S, Lee, S, Karan, C, Resnick, S.J, Quinn, C, Li, W, Shion, H, Jurtschenko, C, Lauber, M.A, McDonald, T, Stokes, M.E, Hurst, B, Rovis, T, Chavez, A, Ho, D.D, Stockwell, B.R. | | Deposit date: | 2022-01-14 | | Release date: | 2022-05-04 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Development of optimized drug-like small molecule inhibitors of the SARS-CoV-2 3CL protease for treatment of COVID-19.
Nat Commun, 13, 2022
|
|
6KSM
 | | Staphylococcus aureus lipase -Orlistat complex | | Descriptor: | (2S,3S,5S)-5-[(N-FORMYL-L-LEUCYL)OXY]-2-HEXYL-3-HYDROXYHEXADECANOIC ACID, CALCIUM ION, LAURIC ACID, ... | | Authors: | Kitadokoro, K, Tanaka, M, Kamitani, S. | | Deposit date: | 2019-08-24 | | Release date: | 2020-04-08 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.23 Å) | | Cite: | Crystal structure of pathogenic Staphylococcus aureus lipase complex with the anti-obesity drug orlistat.
Sci Rep, 10, 2020
|
|
6KSI
 | | Staphylococcus aureus lipase - native | | Descriptor: | CALCIUM ION, HEXANOIC ACID, LAURIC ACID, ... | | Authors: | Kitadokoro, K, Tanaka, M, Kamitani, S. | | Deposit date: | 2019-08-24 | | Release date: | 2020-04-08 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | Crystal structure of pathogenic Staphylococcus aureus lipase complex with the anti-obesity drug orlistat.
Sci Rep, 10, 2020
|
|
2E19
 | | Solution structure of the homeobox domain from human NIL-2-A zinc finger protein, transcription factor 8 | | Descriptor: | Transcription factor 8 | | Authors: | Ohnishi, S, Tochio, N, Koshiba, S, Harada, T, Watanabe, S, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2006-10-19 | | Release date: | 2007-04-24 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the homeobox domain from human NIL-2-A zinc finger protein, transcription factor 8
To be Published
|
|
7TIA
 | | Crystal structure of SARS-CoV-2 3CL in complex with inhibitor NK01-14 | | Descriptor: | 3C-like proteinase nsp5, THIOCYANATE ION, benzyl [(2S)-3-cyclopropyl-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-1-oxopropan-2-yl]carbamate | | Authors: | Forouhar, F, Liu, H, Iketani, S, Zack, A, Khanizeman, N, Bednarova, E, Fowler, B, Hong, S.J, Mohri, H, Nair, M.S, Huang, Y, Tay, N.E.S, Lee, S, Karan, C, Resnick, S.J, Quinn, C, Li, W, Shion, H, Jurtschenko, C, Lauber, M.A, McDonald, T, Stokes, M.E, Hurst, B, Rovis, T, Chavez, A, Ho, D.D, Stockwell, B.R. | | Deposit date: | 2022-01-13 | | Release date: | 2022-05-04 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Development of optimized drug-like small molecule inhibitors of the SARS-CoV-2 3CL protease for treatment of COVID-19.
Nat Commun, 13, 2022
|
|
7TIX
 | | Crystal structure of SARS-CoV-2 3CL in complex with inhibitor EB56 | | Descriptor: | 3C-like proteinase nsp5, MAGNESIUM ION, N~2~-{[(naphthalen-2-yl)methoxy]carbonyl}-N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide | | Authors: | Forouhar, F, Liu, H, Iketani, S, Zack, A, Khanizeman, N, Bednarova, E, Fowler, B, Hong, S.J, Mohri, H, Nair, M.S, Huang, Y, Tay, N.E.S, Lee, S, Karan, C, Resnick, S.J, Quinn, C, Li, W, Shion, H, Jurtschenko, C, Lauber, M.A, McDonald, T, Stokes, M.E, Hurst, B, Rovis, T, Chavez, A, Ho, D.D, Stockwell, B.R. | | Deposit date: | 2022-01-14 | | Release date: | 2022-05-04 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Development of optimized drug-like small molecule inhibitors of the SARS-CoV-2 3CL protease for treatment of COVID-19.
Nat Commun, 13, 2022
|
|
7TJ0
 | | Crystal structure of SARS-CoV-2 3CL in complex with inhibitor SL-4-241 | | Descriptor: | (1S,2S)-2-({N-[(benzyloxy)carbonyl]-3-cyclohexyl-L-alanyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5, ACETATE ION | | Authors: | Forouhar, F, Liu, H, Iketani, S, Zack, A, Khanizeman, N, Bednarova, E, Fowler, B, Hong, S.J, Mohri, H, Nair, M.S, Huang, Y, Tay, N.E.S, Lee, S, Karan, C, Resnick, S.J, Quinn, C, Li, W, Shion, H, Jurtschenko, C, Lauber, M.A, McDonald, T, Stokes, M, Hurst, B, Rovis, T, Chavez, A, Ho, D.D, Stockwell, B.R. | | Deposit date: | 2022-01-14 | | Release date: | 2022-05-04 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.17 Å) | | Cite: | Development of optimized drug-like small molecule inhibitors of the SARS-CoV-2 3CL protease for treatment of COVID-19.
Nat Commun, 13, 2022
|
|
8F3A
 | | HIV-1 gp41 coiled-coil pocket IQN17 | | Descriptor: | ACETIC ACID, CHLORIDE ION, IQN17 | | Authors: | Bruun, T.U.J, Tang, S, Fernandez, D, Kim, P.S. | | Deposit date: | 2022-11-09 | | Release date: | 2023-03-08 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Structure-guided stabilization improves the ability of the HIV-1 gp41 hydrophobic pocket to elicit neutralizing antibodies.
J.Biol.Chem., 299, 2023
|
|
8F3B
 | |
2WQL
 | | CRYSTAL STRUCTURE OF THE MAJOR CARROT ALLERGEN DAU C 1 | | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, MAJOR ALLERGEN DAU C 1, ... | | Authors: | Markovic-Housley, Z, Basle, A, Padavattan, S, Hoffmann-Sommergruber, K, Schirmer, T. | | Deposit date: | 2009-08-24 | | Release date: | 2009-09-01 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structure of the Major Carrot Allergen Dau C 1.
Acta Crystallogr.,Sect.D, 65, 2009
|
|
2LC2
 | | Solution structure of the RXLR effector P. capsici AVR3a4 | | Descriptor: | AVR3a4 | | Authors: | Li, H, Koshiba, S, Yaeno, T, Sato, M, Watanabe, S, Harada, T, Shirasu, K, Kigawa, T. | | Deposit date: | 2011-04-12 | | Release date: | 2011-08-03 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | A PIP-binding interface in the oomycete RXLR effector AVR3A is required for its accumulation in host cells to modulate plant immunity
To be Published
|
|
1J1W
 | | Crystal Structure Of The Monomeric Isocitrate Dehydrogenase In Complex With NADP+ | | Descriptor: | Isocitrate Dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Yasutake, Y, Watanabe, S, Yao, M, Takada, Y, Fukunaga, N, Tanaka, I. | | Deposit date: | 2002-12-19 | | Release date: | 2003-09-23 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Crystal Structure of the Monomeric Isocitrate Dehydrogenase in the Presence of NADP+
J.Biol.Chem., 278, 2003
|
|
2QKE
 | |
2YSH
 | | Solution structure of the WW domain from the human growth-arrest-specific protein 7, GAS-7 | | Descriptor: | Growth-arrest-specific protein 7 | | Authors: | Ohnishi, S, Tochio, N, Sato, M, Koshiba, S, Harada, T, Watanabe, S, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2007-04-03 | | Release date: | 2007-10-09 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the WW domain from the human growth-arrest-specific protein 7, GAS-7
To be Published
|
|
1ITW
 | | Crystal structure of the monomeric isocitrate dehydrogenase in complex with isocitrate and Mn | | Descriptor: | ISOCITRIC ACID, Isocitrate dehydrogenase, MANGANESE (II) ION | | Authors: | Yasutake, Y, Watanabe, S, Yao, M, Takada, Y, Fukunaga, N, Tanaka, I. | | Deposit date: | 2002-02-12 | | Release date: | 2002-12-11 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structure of the Monomeric Isocitrate Dehydrogenase: Evidence of a Protein Monomerization by a Domain Duplication
Structure, 10, 2002
|
|
2YSG
 | | Solution structure of the WW domain from the human syntaxin-binding protein 4 | | Descriptor: | Syntaxin-binding protein 4 | | Authors: | Ohnishi, S, Tochio, N, Sato, M, Koshiba, S, Harada, T, Watanabe, S, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2007-04-03 | | Release date: | 2007-10-09 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the WW domain from the human syntaxin-binding protein 4
To be Published
|
|
2YSB
 | | Solution structure of the first WW domain from the mouse salvador homolog 1 protein (SAV1) | | Descriptor: | Salvador homolog 1 protein | | Authors: | Ohnishi, S, Sato, M, Koshiba, S, Harada, T, Watanabe, S, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2007-04-03 | | Release date: | 2007-10-09 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the first WW domain from the mouse salvador homolog 1 protein (SAV1)
To be Published
|
|
2DJ4
 | | Solution structure of the 13th filamin domain from human Filamin-B | | Descriptor: | Filamin-B | | Authors: | Tomizawa, T, Koshiba, S, Watanabe, S, Harada, T, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2006-03-31 | | Release date: | 2006-10-01 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the 13th filamin domain from human Filamin-B
To be Published
|
|
2ZAJ
 | | Solution structure of the short-isoform of the second WW domain from the human membrane-associated guanylate kinase, WW and PDZ domain-containing protein 1 (MAGI-1) | | Descriptor: | Membrane-associated guanylate kinase, WW and PDZ domain-containing protein 1 | | Authors: | Ohnishi, S, Tochio, N, Tomizawa, T, Koshiba, S, Harada, T, Watanabe, S, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2007-10-05 | | Release date: | 2008-04-15 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the short-isoform of the second WW domain from the human membrane-associated guanylate kinase, WW and PDZ domain-containing protein 1 (MAGI-1)
To be Published
|
|
2DS4
 | | Solution structure of the filamin domain from human tripartite motif protein 45 | | Descriptor: | Tripartite motif protein 45 | | Authors: | Tomizawa, T, Koshiba, S, Watanabe, S, Harada, T, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2006-06-21 | | Release date: | 2006-12-21 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the filamin domain from human tripartite motif protein 45
To be Published
|
|
2DHZ
 | | Solution Structure of the RA Domain in the Human Link Guanine Nucleotide Exchange Factor II (Link-GEFII) | | Descriptor: | Rap guanine nucleotide exchange factor (GEF)-like 1 | | Authors: | Zhao, C, Kigawa, T, Yoneyama, M, Koshiba, S, Harada, T, Watanabe, S, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2006-03-27 | | Release date: | 2006-09-27 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Solution Structure of the RA Domain in the Human Link Guanine Nucleotide Exchange Factor II (Link-GEFII)
To be Published
|
|
2DIC
 | | Solution structure of the 12th filamin domain from human Filamin-B | | Descriptor: | Filamin-B | | Authors: | Tomizawa, T, Koshiba, S, Watanabe, S, Harada, T, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2006-03-29 | | Release date: | 2006-09-29 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the 12th filamin domain from human Filamin-B
To be Published
|
|
2DMB
 | | Solution structure of the 15th Filamin domain from human Filamin-B | | Descriptor: | Filamin-B | | Authors: | Tomizawa, T, Tochio, N, Koshiba, S, Watanabe, S, Harada, T, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2006-04-20 | | Release date: | 2006-10-20 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the 15th Filamin domain from human Filamin-B
To be Published
|
|
