2CIB
| High throughput screening and x-ray crystallography assisted evaluation of small molecule scaffolds for CYP51 inhibitors | Descriptor: | (2S)-2-[(2,1,3-BENZOTHIADIAZOL-4-YLSULFONYL)AMINO]-2-PHENYL-N-PYRIDIN-4-YLACETAMIDE, CYTOCHROME P450 51, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Podust, L.M, Kim, Y, Yermalitskaya, L.V, Von Kries, J.P, Waterman, M.R. | Deposit date: | 2006-03-17 | Release date: | 2007-07-03 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Small Molecule Scaffolds for Cyp51 Inhibitors Identified by High Throughput Screening and Defined by X-Ray Crystallography Antimicrob.Agents Chemother., 51, 2007
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2CI0
| High throughput screening and x-ray crystallography assisted evaluation of small molecule scaffolds for CYP51 inhibitors | Descriptor: | (2R)-2-PHENYL-N-PYRIDIN-4-YLBUTANAMIDE, CYTOCHROME P450 51, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Podust, L.M, Kim, Y, Yermalitskaya, L.V, Von Kries, J.P, Waterman, M.R. | Deposit date: | 2006-03-16 | Release date: | 2007-07-03 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Small Molecule Scaffolds for Cyp51 Inhibitors Identified by High Throughput Screening and Defined by X-Ray Crystallography Antimicrob.Agents Chemother., 51, 2007
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2CA0
| Crystal structure of YC-17-bound cytochrome P450 PikC (CYP107L1) | Descriptor: | 4-{[4-(DIMETHYLAMINO)-3-HYDROXY-6-METHYLTETRAHYDRO-2H-PYRAN-2-YL]OXY}-12-ETHYL-3,5,7,11-TETRAMETHYLOXACYCLODODEC-9-ENE-2,8-DIONE, CYTOCHROME P450 MONOOXYGENASE, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Yermalitskaya, L.I, Kim, Y, Sherman, D.H, Waterman, M.R, Podust, L.M. | Deposit date: | 2005-12-15 | Release date: | 2006-12-13 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Crystal Structure of Yc-17-Bound Cytochrome P450 Pikc (Cyp107L1) To be Published
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2C7X
| Crystal structure of narbomycin-bound cytochrome P450 PikC (CYP107L1) | Descriptor: | CYTOCHROME P450 MONOOXYGENASE, NARBOMYCIN, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Sherman, D.H, Li, S, Yermalitskaya, L.V, Kim, Y, Smith, J.A, Waterman, M.R, Podust, L.M. | Deposit date: | 2005-11-29 | Release date: | 2006-07-03 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | The Structural Basis for Substrate Anchoring, Active Site Selectivity, and Product Formation by P450 Pikc from Streptomyces Venezuelae. J.Biol.Chem., 281, 2006
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2CD8
| Crystal structure of YC-17-bound cytochrome P450 PikC (CYP107L1) | Descriptor: | 4-{[4-(DIMETHYLAMINO)-3-HYDROXY-6-METHYLTETRAHYDRO-2H-PYRAN-2-YL]OXY}-12-ETHYL-3,5,7,11-TETRAMETHYLOXACYCLODODEC-9-ENE-2,8-DIONE, CYTOCHROME P450 MONOOXYGENASE, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Yermalitskaya, L.I, Kim, Y, Sherman, D.H, Waterman, M.R, Podust, L.M. | Deposit date: | 2006-01-20 | Release date: | 2007-02-20 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The Structural Basis for Substrate Anchoring, Active Site Selectivity, and Product Formation by P450 Pikc from Streptomyces Venezuelae. J.Biol.Chem., 281, 2006
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4GUD
| Crystal Structure of Amidotransferase HisH from Vibrio cholerae | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Maltseva, N, Kim, Y, Shatsman, S, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2012-08-29 | Release date: | 2012-09-12 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (1.911 Å) | Cite: | Crystal Structure of Amidotransferase HisH from Vibrio cholerae. To be Published
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2B2T
| Tandem chromodomains of human CHD1 complexed with Histone H3 Tail containing trimethyllysine 4 and phosphothreonine 3 | Descriptor: | Chromodomain-helicase-DNA-binding protein 1, Histone H3 tail | Authors: | Flanagan IV, J.F, Mi, L.-Z, Chruszcz, M, Cymborowski, M, Clines, K.L, Kim, Y, Minor, W, Rastinejad, F, Khorasanizadeh, S. | Deposit date: | 2005-09-19 | Release date: | 2005-12-27 | Last modified: | 2022-04-13 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Double chromodomains cooperate to recognize the methylated histone H3 tail. Nature, 438, 2005
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1P0O
| HP (2-20) substitution of Trp for Gln and Asp at position 17 and 19 MODIFICATION IN SDS-D25 MICELLES | Descriptor: | 19-mer peptide from 50S ribosomal protein L1 | Authors: | Lee, K.H, Lee, D.G, Park, Y.K, Harm, K.S, Kim, Y.M. | Deposit date: | 2003-04-10 | Release date: | 2003-05-20 | Last modified: | 2021-11-10 | Method: | SOLUTION NMR | Cite: | Interactions between antimicrobial peptide, HP(2-20) derived from helicobacter pylori, and membrain studied by nmr spectroscopy To be published
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1N6A
| Structure of SET7/9 | Descriptor: | S-ADENOSYLMETHIONINE, SET domain-containing protein 7 | Authors: | Kwon, T.W, Chang, J.H, Kwak, E, Lee, C.W, Joachimiak, A, Kim, Y.C, Lee, J, Cho, Y. | Deposit date: | 2002-11-09 | Release date: | 2003-02-04 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Mechanism of histone lysine methyl transfer revealed by the structure of SET7/9-AdoMet EMBO J., 22, 2003
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1P0L
| HP (2-20) Substitution GLN To TRP Modification In SDS-D25 MICELLES | Descriptor: | 19-mer peptide from 50S ribosomal protein L1 | Authors: | Lee, K.H, Lee, D.G, Park, Y.K, Harm, K.S, Kim, Y.M. | Deposit date: | 2003-04-10 | Release date: | 2003-05-20 | Last modified: | 2021-11-10 | Method: | SOLUTION NMR | Cite: | Interactions between antimicrobial peptide, HP(2-20) derived from helicobacter pylori, and membrain studied by nmr spectroscopy To be published
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1P5L
| HP (2-20) Substitution PHE5 to SER modification in sds-d25 micelles | Descriptor: | 19-mer peptide from 50S ribosomal protein L1 | Authors: | Lee, K.H, Lee, D.G, Park, Y.K, Harm, K.S, Kim, Y.M. | Deposit date: | 2003-04-27 | Release date: | 2003-06-03 | Last modified: | 2021-11-10 | Method: | SOLUTION NMR | Cite: | Interactions between antimicrobial peptide, HP(2-20) derived from helicobacter pylori, and membrain studied by nmr spectroscopy To be published
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4F49
| 2.25A resolution structure of Transmissible Gastroenteritis Virus Protease containing a covalently bound Dipeptidyl Inhibitor | Descriptor: | (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase, TETRAETHYLENE GLYCOL | Authors: | Lovell, S, Battaile, K.P, Kim, Y, Tiew, K.-C, Mandadapu, S.R, Alliston, K.R, Groutas, W.C, Chang, K.-O. | Deposit date: | 2012-05-10 | Release date: | 2012-09-05 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Broad-Spectrum Antivirals against 3C or 3C-Like Proteases of Picornaviruses, Noroviruses, and Coronaviruses. J.Virol., 86, 2012
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4KTB
| The crystal structure of posible asymmetric diadenosine tetraphosphate (Ap(4)A) hydrolases from Jonesia denitrificans DSM 20603 | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Putative uncharacterized protein, ... | Authors: | Tan, K, Kim, Y, Wu, R, Clancy, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2013-05-20 | Release date: | 2013-06-05 | Method: | X-RAY DIFFRACTION (1.936 Å) | Cite: | The crystal structure of posible asymmetric diadenosine tetraphosphate (Ap(4)A) hydrolases from Jonesia denitrificans DSM 20603 To be Published
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1P5K
| HP (2-20) Substitution SER to LEU11 modification in sds-d25 micelles | Descriptor: | 19-mer peptide from 50S ribosomal protein L1 | Authors: | Lee, K.H, Lee, D.G, Park, Y.K, Harm, K.S, Kim, Y.M. | Deposit date: | 2003-04-27 | Release date: | 2003-06-03 | Last modified: | 2021-11-10 | Method: | SOLUTION NMR | Cite: | Interactions between antimicrobial peptide, HP(2-20) derived from helicobacter pylori, and membrain studied by nmr spectroscopy To be published
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4IQR
| Multi-Domain Organization of the HNF4alpha Nuclear Receptor Complex on DNA | Descriptor: | DNA (5'-D(*CP*CP*TP*GP*AP*CP*CP*TP*TP*TP*GP*AP*CP*CP*TP*AP*GP*TP*TP*C)-3'), DNA (5'-D(*GP*GP*AP*AP*CP*TP*AP*GP*GP*TP*CP*AP*AP*AP*GP*GP*TP*CP*AP*G)-3'), Hepatocyte nuclear factor 4-alpha, ... | Authors: | Chandra, V, Huang, P, Kim, Y, Rastinejad, F. | Deposit date: | 2013-01-13 | Release date: | 2013-03-20 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Multidomain integration in the structure of the HNF-4 alpha nuclear receptor complex. Nature, 495, 2013
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4IR0
| Crystal Structure of Metallothiol Transferase FosB 2 from Bacillus anthracis str. Ames | Descriptor: | 1,2-ETHANEDIOL, FOSFOMYCIN, Metallothiol transferase FosB 2, ... | Authors: | Maltseva, N, Kim, Y, Jedrzejczak, R, Zhang, R, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2013-01-14 | Release date: | 2013-01-23 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal Structure of Metallothiol Transferase FosB 2 from Bacillus anthracis str. Ames To be Published
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1OT0
| Structure of Antimicrobial Peptide, HP (2-20) and its Analogues Derived from Helicobacter pylori, as Determined by 1H NMR Spectroscopy | Descriptor: | 50S ribosomal protein L1 | Authors: | Lee, K.H, Lee, D.G, Park, Y, Hahm, K.-S, Kim, Y. | Deposit date: | 2003-03-21 | Release date: | 2004-09-07 | Last modified: | 2022-02-23 | Method: | SOLUTION NMR | Cite: | Structure of Antimicrobial Peptide, HP (2-20) and its Analogues Derived from Helicobacter pylori, as Determined by 1H NMR Spectroscopy To be published
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1P0J
| HP (2-20) Substitution ASP To TRP Modification In SDS-D25 Micelles | Descriptor: | 19-mer peptide from 50S ribosomal protein L1 | Authors: | Lee, K.H, Lee, D.G, Park, Y.K, Harm, K.S, Kim, Y.M. | Deposit date: | 2003-04-10 | Release date: | 2003-05-20 | Last modified: | 2021-11-10 | Method: | SOLUTION NMR | Cite: | Interactions between antimicrobial peptide, HP(2-20) derived from helicobacter pylori, and membrain studied by nmr spectroscopy To be published
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1P0G
| Structure of Antimicrobial Peptide, HP (2-20) and its Analogues Derived from Helicobacter pylori, as Determined by 1H NMR Spectroscopy | Descriptor: | 19-mer peptide from 50S ribosomal protein L1 | Authors: | Lee, K.H, Lee, D.G, Park, Y.K, Harm, K.S, Kim, Y.M. | Deposit date: | 2003-04-10 | Release date: | 2003-05-20 | Last modified: | 2022-02-23 | Method: | SOLUTION NMR | Cite: | Interactions between antimicrobial peptide, HP(2-20) derived from helicobacter pylori, and membrain studied by nmr spectroscopy To be published
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3FBQ
| The crystal structure of the conserved domain protein from Bacillus anthracis | Descriptor: | Conserved domain protein | Authors: | Zhang, R, Joachimiak, G, Kim, Y, Gornicki, P, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2008-11-19 | Release date: | 2008-12-23 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.71 Å) | Cite: | The crystal structure of the conserved domain protein from Bacillus anthracis To be Published
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2B2Y
| Tandem chromodomains of human CHD1 | Descriptor: | Chromodomain-helicase-DNA-binding protein 1 | Authors: | Flanagan IV, J.F, Mi, L.-Z, Chruszcz, M, Cymborowski, M, Clines, K.L, Kim, Y, Minor, W, Rastinejad, F, Khorasanizadeh, S. | Deposit date: | 2005-09-19 | Release date: | 2005-12-27 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Double chromodomains cooperate to recognize the methylated histone H3 tail. Nature, 438, 2005
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2B2U
| Tandem chromodomains of human CHD1 complexed with Histone H3 Tail containing trimethyllysine 4 and dimethylarginine 2 | Descriptor: | Chromodomain-helicase-DNA-binding protein 1, Histone H3 | Authors: | Flanagan IV, J.F, Mi, L.-Z, Chruszcz, M, Cymborowski, M, Clines, K.L, Kim, Y, Minor, W, Rastinejad, F, Khorasanizadeh, S. | Deposit date: | 2005-09-19 | Release date: | 2005-12-27 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Double chromodomains cooperate to recognize the methylated histone H3 tail. Nature, 438, 2005
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2B2V
| Crystal structure analysis of human CHD1 chromodomains 1 and 2 bound to histone H3 resi 1-15 MeK4 | Descriptor: | Chromodomain-helicase-DNA-binding protein 1, Histone H3 | Authors: | Flanagan IV, J.F, Mi, L.-Z, Chruszcz, M, Cymborowski, M, Clines, K.L, Kim, Y, Minor, W, Rastinejad, F, Khorasanizadeh, S. | Deposit date: | 2005-09-19 | Release date: | 2005-12-27 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Double chromodomains cooperate to recognize the methylated histone H3 tail. Nature, 438, 2005
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2DUC
| Crystal structure of SARS coronavirus main proteinase(3CLPRO) | Descriptor: | Replicase polyprotein 1ab | Authors: | Wang, H, Kim, Y.T, Muramatsu, T, Takemoto, C, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2006-07-21 | Release date: | 2007-07-24 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | SARS-CoV 3CL protease cleaves its C-terminal autoprocessing site by novel subsite cooperativity Proc. Natl. Acad. Sci. U.S.A., 113, 2016
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5E0J
| 1.20 A resolution structure of Norovirus 3CL protease in complex with a triazole-based macrocyclic (21-mer) inhibitor | Descriptor: | (phenylmethyl) ~{N}-[(12~{S},15~{S},18~{S})-15-(cyclohexylmethyl)-12-(hydroxymethyl)-9,14,17-tris(oxidanylidene)-1,8,13,16,21,22-hexazabicyclo[18.2.1]tricosa-20(23),21-dien-18-yl]carbamate, CHLORIDE ION, Norovirus 3C-like protease | Authors: | Lovell, S, Battaile, K.P, Mehzabeen, N, Weerawarna, P.M, Kim, Y, Kankanamalage, A.C.G, Damalanka, V.C, Lushington, G.H, Alliston, K.R, Chang, K.-O, Groutas, W.C. | Deposit date: | 2015-09-28 | Release date: | 2016-05-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Structure-based design and synthesis of triazole-based macrocyclic inhibitors of norovirus protease: Structural, biochemical, spectroscopic, and antiviral studies. Eur.J.Med.Chem., 119, 2016
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