1P1X
 
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1ZPA
 | | HIV Protease with Scripps AB-3 Inhibitor | | Descriptor: | Pol polyprotein, TERT-BUTYL 4-[({[1-((1S,2R)-1-BENZYL-2-HYDROXY-3-{ISOBUTYL[(4-METHOXYPHENYL)SULFONYL]AMINO}PROPYL)-1H-1,2,3-TRIAZOL-4-YL]METHYL}AMINO)CARBONYL]BENZYLCARBAMATE | | Authors: | Brik, A, Alexandratos, J, Lin, Y.C, Elder, J.H, Olson, A.J, Wlodawer, A, Goodsell, D.S, Wong, C.H. | | Deposit date: | 2005-05-16 | | Release date: | 2005-05-31 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | 1,2,3-triazole as a peptide surrogate in the rapid synthesis of HIV-1 protease inhibitors
Chembiochem, 6, 2005
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1ZP8
 | | HIV Protease with inhibitor AB-2 | | Descriptor: | Pol polyprotein, [1-((1S,2R)-1-BENZYL-2-HYDROXY-3-{ISOBUTYL[(4-METHOXYPHENYL)SULFONYL]AMINO}PROPYL)-1H-1,2,3-TRIAZOL-4-YL]METHYL (1R,2R)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YLCARBAMATE | | Authors: | Brik, A, Alexandratos, J.N, Elder, J.H, Olson, A.J, Wlodawer, A, Goodsell, D.S, Wong, C.H. | | Deposit date: | 2005-05-16 | | Release date: | 2005-06-21 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | 1,2,3-triazole as a peptide surrogate in the rapid synthesis of HIV-1 protease inhibitors.
Chembiochem, 6, 2005
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3VMQ
 | | Crystal structure of Staphylococcus aureus membrane-bound transglycosylase: Apoenzyme | | Descriptor: | MAGNESIUM ION, Monofunctional glycosyltransferase | | Authors: | Huang, C.Y, Shih, H.W, Lin, L.Y, Tien, Y.W, Cheng, T.J.R, Cheng, W.C, Wong, C.H, Ma, C. | | Deposit date: | 2011-12-15 | | Release date: | 2012-04-18 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.518 Å) | | Cite: | Crystal structure of Staphylococcus aureus transglycosylase in complex with a lipid II analog and elucidation of peptidoglycan synthesis mechanism
Proc.Natl.Acad.Sci.USA, 109, 2012
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3VMT
 | | Crystal structure of Staphylococcus aureus membrane-bound transglycosylase in complex with a Lipid II analog | | Descriptor: | MAGNESIUM ION, Monofunctional glycosyltransferase, [(2R,3R,4R,5S,6R)-4-[(2R)-1-[[(2S)-1-[2-[2-[2-[5-[(3aS,4S,6aR)-2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethoxy]ethoxy]ethylamino]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-propan-2-yl]oxy-3-acetamido-5-[(2S,3R,4R,5R,6R)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxan-2-yl] [oxidanyl(3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaenoxy)phosphoryl] hydrogen phosphate | | Authors: | Huang, C.Y, Shih, H.W, Lin, L.Y, Tien, Y.W, Cheng, T.J.R, Cheng, W.C, Wong, C.H, Ma, C. | | Deposit date: | 2011-12-15 | | Release date: | 2012-04-18 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.299 Å) | | Cite: | Crystal structure of Staphylococcus aureus transglycosylase in complex with a lipid II analog and elucidation of peptidoglycan synthesis mechanism
Proc.Natl.Acad.Sci.USA, 109, 2012
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3VMR
 | | Crystal structure of Staphylococcus aureus membrane-bound transglycosylase in complex with moenomycin | | Descriptor: | MOENOMYCIN, Monofunctional glycosyltransferase | | Authors: | Huang, C.Y, Shih, H.W, Lin, L.Y, Tien, Y.W, Cheng, T.J.R, Cheng, W.C, Wong, C.H, Ma, C. | | Deposit date: | 2011-12-15 | | Release date: | 2012-04-18 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (3.688 Å) | | Cite: | Crystal structure of Staphylococcus aureus transglycosylase in complex with a lipid II analog and elucidation of peptidoglycan synthesis mechanism
Proc.Natl.Acad.Sci.USA, 109, 2012
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3VMA
 | | Crystal Structure of the Full-Length Transglycosylase PBP1b from Escherichia coli | | Descriptor: | MOENOMYCIN, Penicillin-binding protein 1B | | Authors: | Huang, C.Y, Sung, M.T, Lai, Y.T, Chou, L.Y, Shih, H.W, Cheng, W.C, Wong, C.H, Ma, C. | | Deposit date: | 2011-12-09 | | Release date: | 2012-03-14 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.161 Å) | | Cite: | Crystal structure of the membrane-bound bifunctional transglycosylase PBP1b from Escherichia coli.
Proc.Natl.Acad.Sci.USA, 106, 2009
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3VMS
 | | Crystal structure of Staphylococcus aureus membrane-bound transglycosylase in complex with NBD-Lipid II | | Descriptor: | Monofunctional glycosyltransferase | | Authors: | Huang, C.Y, Shih, H.W, Lin, L.Y, Tien, Y.W, Cheng, T.J.R, Cheng, W.C, Wong, C.H, Ma, C. | | Deposit date: | 2011-12-15 | | Release date: | 2012-04-18 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (3.202 Å) | | Cite: | Crystal structure of Staphylococcus aureus transglycosylase in complex with a lipid II analog and elucidation of peptidoglycan synthesis mechanism
Proc.Natl.Acad.Sci.USA, 109, 2012
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3FWL
 | | Crystal Structure of the Full-Length Transglycosylase PBP1b from Escherichia coli | | Descriptor: | MOENOMYCIN, Penicillin-binding protein 1B | | Authors: | Sung, M.T, Lai, Y.T, Huang, C.Y, Chou, L.Y, Wong, C.H, Ma, C. | | Deposit date: | 2009-01-19 | | Release date: | 2009-06-02 | | Last modified: | 2017-11-01 | | Method: | X-RAY DIFFRACTION (3.086 Å) | | Cite: | Crystal structure of the membrane-bound bifunctional transglycosylase PBP1b from Escherichia coli.
Proc.Natl.Acad.Sci.USA, 106, 2009
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6FIV
 | | STRUCTURAL STUDIES OF HIV AND FIV PROTEASES COMPLEXED WITH AN EFFICIENT INHIBITOR OF FIV PR | | Descriptor: | RETROPEPSIN, SULFATE ION, benzyl [(1S,4S,7S,8R,9R,10S,13S,16S)-7,10-dibenzyl-8,9-dihydroxy-1,16-dimethyl-4,13-bis(1-methylethyl)-2,5,12,15,18-pentaoxo-20-phenyl-19-oxa-3,6,11,14,17-pentaazaicos-1-yl]carbamate | | Authors: | Li, M, Lee, T, Morris, G, Laco, G, Wong, C, Olson, A, Elder, J, Wlodawer, A, Gustchina, A. | | Deposit date: | 1998-12-02 | | Release date: | 1998-12-09 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural studies of FIV and HIV-1 proteases complexed with an efficient inhibitor of FIV protease
Proteins, 38, 2000
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2NC4
 | | Solution Structure of N-Galactosylated Pin1 WW Domain | | Descriptor: | Pin1 WW Domain, beta-D-galactopyranose | | Authors: | Hsu, C, Park, S, Mortenson, D.E, Foley, B, Wang, X, Woods, R.J, Case, D.A, Powers, E.T, Wong, C, Dyson, H, Kelly, J.W. | | Deposit date: | 2016-03-20 | | Release date: | 2016-06-08 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | The Dependence of Carbohydrate-Aromatic Interaction Strengths on the Structure of the Carbohydrate.
J.Am.Chem.Soc., 138, 2016
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2NC6
 | | Solution Structure of N-L-idosylated Pin1 WW Domain | | Descriptor: | Pin1 WW Domain, beta-L-idopyranose | | Authors: | Hsu, C, Park, S, Mortenson, D.E, Foley, B, Wang, X, Woods, R.J, Case, D.A, Powers, E.T, Wong, C, Dyson, H, Kelly, J.W. | | Deposit date: | 2016-03-20 | | Release date: | 2016-06-08 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | The Dependence of Carbohydrate-Aromatic Interaction Strengths on the Structure of the Carbohydrate.
J.Am.Chem.Soc., 138, 2016
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2NC3
 | | Solution Structure of N-Allosylated Pin1 WW Domain | | Descriptor: | Pin1 WW Domain, beta-D-allopyranose | | Authors: | Hsu, C, Park, S, Mortenson, D.E, Foley, B, Wang, X, Woods, R.J, Case, D.A, Powers, E.T, Wong, C, Dyson, H, Kelly, J.W. | | Deposit date: | 2016-03-20 | | Release date: | 2016-06-08 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | The Dependence of Carbohydrate-Aromatic Interaction Strengths on the Structure of the Carbohydrate.
J.Am.Chem.Soc., 138, 2016
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1JCJ
 | | OBSERVATION OF COVALENT INTERMEDIATES IN AN ENZYME MECHANISM AT ATOMIC RESOLUTION | | Descriptor: | 1-HYDROXY-PENTANE-3,4-DIOL-5-PHOSPHATE, DEOXYRIBOSE-PHOSPHATE ALDOLASE | | Authors: | Heine, A, DeSantis, G, Luz, J.G, Mitchell, M, Wong, C.-H, Wilson, I.A. | | Deposit date: | 2001-06-09 | | Release date: | 2001-10-31 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Observation of covalent intermediates in an enzyme mechanism at atomic resolution.
Science, 294, 2001
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1JCL
 | | OBSERVATION OF COVALENT INTERMEDIATES IN AN ENZYME MECHANISM AT ATOMIC RESOLUTION | | Descriptor: | 1-HYDROXY-PENTANE-3,4-DIOL-5-PHOSPHATE, DEOXYRIBOSE-PHOSPHATE ALDOLASE | | Authors: | Heine, A, DeSantis, G, Luz, J.G, Mitchell, M, Wong, C.-H, Wilson, I.A. | | Deposit date: | 2001-06-09 | | Release date: | 2001-10-31 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | Observation of covalent intermediates in an enzyme mechanism at atomic resolution.
Science, 294, 2001
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1B11
 | | STRUCTURE OF FELINE IMMUNODEFICIENCY VIRUS PROTEASE COMPLEXED WITH TL-3-093 | | Descriptor: | PROTEIN (Feline Immunodeficiency Virus PROTEASE), SULFATE ION, benzyl [(1S,4S,7S,8R,9R,10S,13S,16S)-7,10-dibenzyl-8,9-dihydroxy-1,16-dimethyl-4,13-bis(1-methylethyl)-2,5,12,15,18-pentaoxo-20-phenyl-19-oxa-3,6,11,14,17-pentaazaicos-1-yl]carbamate | | Authors: | Gustchina, A, Li, M, Wlodawer, A. | | Deposit date: | 1998-11-25 | | Release date: | 1998-12-02 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural studies of FIV and HIV-1 proteases complexed with an efficient inhibitor of FIV protease
Proteins, 38, 2000
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6BF4
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2NC5
 | | Solution Structure of N-Xylosylated Pin1 WW Domain | | Descriptor: | Pin1 WW Domain, beta-D-xylopyranose | | Authors: | Hsu, C, Park, S, Mortenson, D.E, Foley, B, Wang, X, Woods, R.J, Case, D.A, Powers, E.T, Wong, C, Dyson, H, Kelly, J.W. | | Deposit date: | 2016-03-20 | | Release date: | 2016-06-08 | | Last modified: | 2020-07-29 | | Method: | SOLUTION NMR | | Cite: | The Dependence of Carbohydrate-Aromatic Interaction Strengths on the Structure of the Carbohydrate.
J.Am.Chem.Soc., 138, 2016
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1SBI
 | | SUBTILISIN BPN' 8397 (E.C. 3.4.21.14) MUTANT (M50F, N76D, G169A, Q206C, N218S) | | Descriptor: | CALCIUM ION, SUBTILISIN 8397 | | Authors: | Kidd, R.D, Yennawar, H.P, Farber, G.K. | | Deposit date: | 1995-09-01 | | Release date: | 1995-12-07 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | A weak calcium binding site in subtilisin BPN' has a dramatic effect on protein stability.
J.Am.Chem.Soc., 118, 1996
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1SBH
 | | SUBTILISIN BPN' 8397+1 (E.C. 3.4.21.14) MUTANT (M50F, N76D, G169A, Q206C, N218S, K256Y) | | Descriptor: | CALCIUM ION, SUBTILISIN 8397+1 | | Authors: | Kidd, R.D, Farber, G.K. | | Deposit date: | 1995-09-01 | | Release date: | 1995-12-07 | | Last modified: | 2021-11-03 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | A weak calcium binding site in subtilisin BPN' has a dramatic effect on protein stability.
J.Am.Chem.Soc., 118, 1996
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2FIK
 | | Structure of a microbial glycosphingolipid bound to mouse CD1d | | Descriptor: | (2S,3R)-3-HYDROXY-2-(TETRADECANOYLAMINO)OCTADECYL ALPHA-D-GALACTOPYRANOSIDURONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Wu, D, Zajonc, D.M. | | Deposit date: | 2005-12-29 | | Release date: | 2006-03-21 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Design of natural killer T cell activators: structure and function of a microbial glycosphingolipid bound to mouse CD1d.
Proc.Natl.Acad.Sci.Usa, 103, 2006
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5FIV
 | | STRUCTURAL STUDIES OF HIV AND FIV PROTEASES COMPLEXED WITH AN EFFICIENT INHIBITOR OF FIV PR | | Descriptor: | RETROPEPSIN, benzyl [(1S,4S,7S,8R,9R,10S,13S,16S)-7,10-dibenzyl-8,9-dihydroxy-1,16-dimethyl-4,13-bis(1-methylethyl)-2,5,12,15,18-pentaoxo-20-phenyl-19-oxa-3,6,11,14,17-pentaazaicos-1-yl]carbamate | | Authors: | Li, M, Lee, T, Morris, G, Laco, G, Wong, C, Olson, A, Elder, J, Wlodawer, A, Gustchina, A. | | Deposit date: | 1998-12-02 | | Release date: | 1998-12-09 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural studies of FIV and HIV-1 proteases complexed with an efficient inhibitor of FIV protease
Proteins, 38, 2000
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5BZW
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1YJB
 | | SUBTILISIN BPN' 8397+1 (E.C. 3.4.21.14) (MUTANT WITH MET 50 REPLACED BY PHE, ASN 76 REPLACED BY ASP, GLY 169 REPLACED BY ALA, GLN 206 REPLACED BY CYS, ASN 218 REPLACED BY SER AND LYS 256 REPLACED BY TYR) (M50F, N76D, G169A, Q206C, N218S, AND K256Y) IN 35% DIMETHYLFORMAMIDE | | Descriptor: | CALCIUM ION, SUBTILISIN 8397+1 | | Authors: | Kidd, R.D, Farber, G.K. | | Deposit date: | 1996-01-16 | | Release date: | 1996-07-11 | | Last modified: | 2021-11-03 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Breaking the low barrier hydrogen bond in a serine protease.
Protein Sci., 8, 1999
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1YJC
 | | SUBTILISIN BPN' 8397+1 (E.C. 3.4.21.14) (MUTANT WITH MET 50 REPLACED BY PHE, ASN 76 REPLACED BY ASP, GLY 169 REPLACED BY ALA, GLN 206 REPLACED BY CYS, ASN 218 REPLACED BY SER AND LYS 256 REPLACED BY TYR) (M50F, N76D, G169A, Q206C, N218S, AND K256Y) IN 50% DIMETHYLFORMAMIDE | | Descriptor: | CALCIUM ION, SUBTILISIN 8397+1 | | Authors: | Kidd, R.D, Farber, G.K. | | Deposit date: | 1996-01-16 | | Release date: | 1996-07-11 | | Last modified: | 2021-11-03 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Breaking the low barrier hydrogen bond in a serine protease.
Protein Sci., 8, 1999
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