1IF7
 
 | | Carbonic Anhydrase II Complexed With (R)-N-(3-Indol-1-yl-2-methyl-propyl)-4-sulfamoyl-benzamide | | Descriptor: | (R)-N-(3-INDOL-1-YL-2-METHYL-PROPYL)-4-SULFAMOYL-BENZAMIDE, CARBONIC ANHYDRASE II, MERCURY (II) ION, ... | | Authors: | Grzybowski, B.A, Ishchenko, A.V, Kim, C.-Y, Topalov, G, Chapman, R, Christianson, D.W, Whitesides, G.M, Shakhnovich, E.I. | | Deposit date: | 2001-04-12 | | Release date: | 2001-05-02 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Combinatorial computational method gives new picomolar ligands for a known enzyme.
Proc.Natl.Acad.Sci.USA, 99, 2002
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1IYG
 | | Solution structure of RSGI RUH-001, a Fis1p-like and CGI-135 homologous domain from a mouse cDNA | | Descriptor: | Hypothetical protein (2010003O14) | | Authors: | Ohashi, W, Hirota, H, Yamazaki, T, Koshiba, S, Hamada, T, Yoshida, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2002-08-14 | | Release date: | 2003-02-14 | | Last modified: | 2023-12-27 | | Method: | SOLUTION NMR | | Cite: | Solution structure of RSGI RUH-001, a Fis1p-like and CGI-135 homologous domain from a mouse cDNA
To be Published
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1IFQ
 | | Sec22b N-terminal domain | | Descriptor: | GLYCEROL, vesicle trafficking protein Sec22b | | Authors: | Gonzalez Jr, L.C, Weis, W.I, Scheller, R.H. | | Deposit date: | 2001-04-13 | | Release date: | 2001-05-02 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | A novel snare N-terminal domain revealed by the crystal structure of Sec22b.
J.Biol.Chem., 276, 2001
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1J0N
 | | Crystal Structure of Bacillus sp. GL1 Xanthan Lyase that Acts on Side Chains of Xanthan | | Descriptor: | 4,6-O-[(1S)-1-carboxyethylidene]-beta-D-glucopyranose, CALCIUM ION, XANTHAN LYASE | | Authors: | Hashimoto, W, Nankai, H, Mikami, B, Murata, K. | | Deposit date: | 2002-11-19 | | Release date: | 2003-04-01 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal Structure of Bacillus sp. GL1 Xanthan Lyase, Which Acts on the Side Chains of Xanthan.
J.Biol.Chem., 278, 2003
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1J85
 | | Structure of YibK from Haemophilus influenzae (HI0766), a truncated sequence homolog of tRNA (guanosine-2'-O-) methyltransferase (SpoU) | | Descriptor: | YibK | | Authors: | Lim, K, Zhang, H, Toedt, J, Tempcyzk, A, Krajewski, W, Howard, A, Eisenstein, E, Herzberg, O, Structure 2 Function Project (S2F) | | Deposit date: | 2001-05-20 | | Release date: | 2003-02-25 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure of the YibK methyltransferase from Haemophilus influenzae
(HI0766): A cofactor bound at a site formed by a knot
Proteins, 51, 2003
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1IDF
 | | ISOCITRATE DEHYDROGENASE K230M MUTANT APO ENZYME | | Descriptor: | ISOCITRATE DEHYDROGENASE | | Authors: | Bolduc, J.M, Dyer, D.H, Scott, W.G, Singer, P, Sweet, R.M, Koshland Junior, D.E, Stoddard, B.L. | | Deposit date: | 1995-01-18 | | Release date: | 1996-03-08 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Mutagenesis and Laue structures of enzyme intermediates: isocitrate dehydrogenase.
Science, 268, 1995
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5HKR
 | | Crystal structure of de novo designed fullerene organising protein complex with fullerene | | Descriptor: | (C_{60}-I_{h})[5,6]fullerene, fullerene organizing protein | | Authors: | Acharya, R, Kim, Y.H, Grigoryan, G, DeGardo, W.F. | | Deposit date: | 2016-01-14 | | Release date: | 2016-05-04 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Protein-directed self-assembly of a fullerene crystal.
Nat Commun, 7, 2016
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7AKO
 | | Crystal structure of CHK1 kinase domain in complex with a CLASPIN phosphopeptide | | Descriptor: | 1,2-ETHANEDIOL, Claspin, STAUROSPORINE, ... | | Authors: | Day, M, Oliver, A.W, Pearl, L.H. | | Deposit date: | 2020-10-01 | | Release date: | 2021-04-14 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural basis for recruitment of the CHK1 DNA damage kinase by the CLASPIN scaffold protein.
Structure, 29, 2021
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1IF9
 | | Carbonic Anhydrase II Complexed With N-[2-(1H-Indol-5-yl)-butyl]-4-sulfamoyl-benzamide | | Descriptor: | CARBONIC ANHYDRASE II, MERCURY (II) ION, N-[2-(1H-INDOL-5-YL)-BUTYL]-4-SULFAMOYL-BENZAMIDE, ... | | Authors: | Grzybowski, B.A, Ishchenko, A.V, Kim, C.-Y, Topalov, G, Chapman, R, Christianson, D.W, Whitesides, G.M, Shakhnovich, E.I. | | Deposit date: | 2001-04-12 | | Release date: | 2001-05-02 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Combinatorial computational method gives new picomolar ligands for a known enzyme.
Proc.Natl.Acad.Sci.USA, 99, 2002
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7YRD
 | | histone methyltransferase | | Descriptor: | DNA (146-MER), Histone H2A.Z, Histone H2B 1.1, ... | | Authors: | Li, H, Wang, W.Y. | | Deposit date: | 2022-08-09 | | Release date: | 2023-08-16 | | Last modified: | 2023-12-13 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Structural insight into H4K20 methylation on H2A.Z-nucleosome by SUV420H1.
Mol.Cell, 83, 2023
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5HM3
 | | 2.25 Angstrom Resolution Crystal Structure of Long-chain-fatty-acid-AMP Ligase FadD32 from Mycobacterium tuberculosis in complex with Inhibitor 5'-O-[(11-phenoxyundecanoyl)sulfamoyl]adenosine | | Descriptor: | 5'-O-[(11-phenoxyundecanoyl)sulfamoyl]adenosine, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Minasov, G, Warwrzak, Z, Kuhn, M.L, Shuvalova, L, Flores, K.J, Wilson, D.J, Grimes, K.D, Aldrich, C.C, Anderson, W.A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2016-01-15 | | Release date: | 2016-08-03 | | Last modified: | 2016-09-07 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Structure of the Essential Mtb FadD32 Enzyme: A Promising Drug Target for Treating Tuberculosis.
Acs Infect Dis., 2, 2016
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7AKM
 | | Crystal structure of CHK1 kinase domain in complex with ATPyS | | Descriptor: | 1,2-ETHANEDIOL, CITRIC ACID, MAGNESIUM ION, ... | | Authors: | Day, M, Oliver, A.W, Pearl, L.H. | | Deposit date: | 2020-10-01 | | Release date: | 2021-04-14 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Structural basis for recruitment of the CHK1 DNA damage kinase by the CLASPIN scaffold protein.
Structure, 29, 2021
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7SGJ
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1J4G
 | | crystal structure analysis of the trichosanthin delta C7 | | Descriptor: | CALCIUM ION, Trichosanthin delta C7 | | Authors: | Ding, Y, Too, H.M, Wang, Z.L, Liu, Y.W, Dong, Y.C, Shaw, P.C, Rao, Z.H. | | Deposit date: | 2001-09-30 | | Release date: | 2001-10-24 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | crystal structure analysis of the trichosanthin delta C7
To be Published
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7SGI
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1IEB
 | | HISTOCOMPATIBILITY ANTIGEN | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, MHC CLASS II I-EK, SULFATE ION | | Authors: | Fremont, D.H, Hendrickson, W.A, Marrack, P, Kappler, J. | | Deposit date: | 1996-04-05 | | Release date: | 1997-06-05 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structures of an MHC class II molecule with covalently bound single peptides.
Science, 272, 1996
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5HTV
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1IH8
 | | NH3-dependent NAD+ Synthetase from Bacillus subtilis Complexed with AMP-CPP and Mg2+ ions. | | Descriptor: | DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, MAGNESIUM ION, NH(3)-DEPENDENT NAD(+) synthetase | | Authors: | Devedjiev, Y, Symersky, J, Singh, R, Jedrzejas, M, Brouillette, C, Brouillette, W, Muccio, D, Chattopadhyay, D, DeLucas, L. | | Deposit date: | 2001-04-18 | | Release date: | 2001-06-06 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Stabilization of active-site loops in NH3-dependent NAD+ synthetase from Bacillus subtilis.
Acta Crystallogr.,Sect.D, 57, 2001
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6JP1
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1IIM
 | | thymidylyltransferase complexed with TTP | | Descriptor: | THYMIDINE-5'-TRIPHOSPHATE, glucose-1-phosphate thymidylyltransferase | | Authors: | Barton, W.A, Lesniak, J, Biggins, J.B, Jeffrey, P.D, Jiang, J, Rajashankar, K.R, Thorson, J.S, Nikolov, D.B. | | Deposit date: | 2001-04-23 | | Release date: | 2001-05-09 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure, mechanism and engineering of a nucleotidylyltransferase as a first step toward glycorandomization.
Nat.Struct.Biol., 8, 2001
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7RVO
 | | Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI13 | | Descriptor: | 3C-like proteinase, N-[(benzyloxy)carbonyl]-L-valyl-3-cyclopropyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alaninamide | | Authors: | Yang, K, Sankaran, B, Liu, W. | | Deposit date: | 2021-08-19 | | Release date: | 2022-07-20 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | A multi-pronged evaluation of aldehyde-based tripeptidyl main protease inhibitors as SARS-CoV-2 antivirals.
Eur.J.Med.Chem., 240, 2022
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7YRG
 | | histone methyltransferase | | Descriptor: | DNA (146-MER), Histone H2A.Z, Histone H2B 1.1, ... | | Authors: | Li, H, Wang, W.Y. | | Deposit date: | 2022-08-09 | | Release date: | 2023-12-13 | | Method: | ELECTRON MICROSCOPY (4.2 Å) | | Cite: | Structural insight into H4K20 methylation on H2A.Z-nucleosome by SUV420H1.
Mol.Cell, 83, 2023
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7RVM
 | | Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI11 | | Descriptor: | 3C-like proteinase, N-[(benzyloxy)carbonyl]-L-valyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methyl-L-leucinamide | | Authors: | Yang, K, Liu, W. | | Deposit date: | 2021-08-19 | | Release date: | 2022-07-20 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | A multi-pronged evaluation of aldehyde-based tripeptidyl main protease inhibitors as SARS-CoV-2 antivirals.
Eur.J.Med.Chem., 240, 2022
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7RVW
 | | Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI23 | | Descriptor: | 3C-like proteinase, benzyl (1-{[(2S)-3-cyclohexyl-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-1-oxopropan-2-yl]carbamoyl}cyclopropyl)carbamate | | Authors: | Yang, K, Liu, W. | | Deposit date: | 2021-08-19 | | Release date: | 2022-07-20 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | A multi-pronged evaluation of aldehyde-based tripeptidyl main protease inhibitors as SARS-CoV-2 antivirals.
Eur.J.Med.Chem., 240, 2022
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5HW5
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