2O4S
 
 | | Crystal Structure of HIV-1 Protease (Q7K) in Complex with Lopinavir | | Descriptor: | CHLORIDE ION, GLYCEROL, N-{1-BENZYL-4-[2-(2,6-DIMETHYL-PHENOXY)-ACETYLAMINO]-3-HYDROXY-5-PHENYL-PENTYL}-3-METHYL-2-(2-OXO-TETRAHYDRO-PYRIMIDIN-1-YL)-BUTYRAMIDE, ... | | Authors: | Armstrong, A.A, Muzammil, S, Jakalian, A, Bonneau, P.R, Schmelmer, V, Freire, E, Amzel, L.M. | | Deposit date: | 2006-12-04 | | Release date: | 2006-12-12 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Unique thermodynamic response of tipranavir to human immunodeficiency virus type 1 protease drug resistance mutations.
J.Virol., 81, 2007
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2O1C
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2O4N
 | | Crystal Structure of HIV-1 Protease (TRM Mutant) in Complex with Tipranavir | | Descriptor: | GLYCEROL, N-(3-{(1R)-1-[(6R)-4-HYDROXY-2-OXO-6-PHENETHYL-6-PROPYL-5,6-DIHYDRO-2H-PYRAN-3-YL]PROPYL}PHENYL)-5-(TRIFLUOROMETHYL)-2-PYRIDINESULFONAMIDE, protease | | Authors: | Kang, L.W, Armstrong, A.A, Muzammil, S, Jakalian, A, Bonneau, P.R, Schmelmer, V, Freire, E, Amzel, L.M. | | Deposit date: | 2006-12-04 | | Release date: | 2006-12-12 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Unique thermodynamic response of tipranavir to human immunodeficiency virus type 1 protease drug resistance mutations.
J.Virol., 81, 2007
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2O4K
 | | Crystal Structure of HIV-1 Protease (Q7K) in Complex with Atazanavir | | Descriptor: | (3S,8S,9S,12S)-3,12-BIS(1,1-DIMETHYLETHYL)-8-HYDROXY-4,11-DIOXO-9-(PHENYLMETHYL)-6-[[4-(2-PYRIDINYL)PHENYL]METHYL]-2,5, 6,10,13-PENTAAZATETRADECANEDIOIC ACID DIMETHYL ESTER, CHLORIDE ION, ... | | Authors: | Armstrong, A.A, Muzammil, S, Jakalian, A, Bonneau, P.R, Schmelmer, V, Freire, E, Amzel, L.M. | | Deposit date: | 2006-12-04 | | Release date: | 2006-12-12 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Unique thermodynamic response of tipranavir to human immunodeficiency virus type 1 protease drug resistance mutations.
J.Virol., 81, 2007
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2O5W
 | | Structure of the E. coli dihydroneopterin triphosphate pyrophosphohydrolase in complex with Sm+3 and pyrophosphate | | Descriptor: | PYROPHOSPHATE, SAMARIUM (III) ION, SODIUM ION, ... | | Authors: | Gabelli, S.B, Bianchet, M.A, Amzel, L.M. | | Deposit date: | 2006-12-06 | | Release date: | 2007-08-28 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structure and function of the E. coli dihydroneopterin triphosphate pyrophosphatase: a Nudix enzyme involved in folate biosynthesis.
Structure, 15, 2007
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1YHM
 | | Structure of the complex of Trypanosoma cruzi farnesyl disphosphate synthase with alendronate, Isopentenyl diphosphate and mg+2 | | Descriptor: | 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, 4-AMINO-1-HYDROXYBUTANE-1,1-DIYLDIPHOSPHONATE, MAGNESIUM ION, ... | | Authors: | Gabelli, S.B, McLellan, J.S, Montalvetti, A, Oldfield, E, Docampo, R, Amzel, L.M. | | Deposit date: | 2005-01-09 | | Release date: | 2005-12-20 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure and mechanism of the farnesyl diphosphate synthase from Trypanosoma cruzi: Implications for drug design.
Proteins, 62, 2005
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1YHL
 | | Structure of the complex of Trypanosoma cruzi farnesyl diphosphate synthase with risedronate, dmapp and mg+2 | | Descriptor: | 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID, DIMETHYLALLYL DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Gabelli, S.B, McLellan, J.S, Montalvetti, A, Oldfield, E, Docampo, R, Amzel, L.M. | | Deposit date: | 2005-01-09 | | Release date: | 2005-12-20 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structure and mechanism of the farnesyl diphosphate synthase from Trypanosoma cruzi: Implications for drug design.
Proteins, 62, 2005
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1YI9
 | | Crystal Structure Analysis of the oxidized form of the M314I mutant of Peptidylglycine alpha-Hydroxylating Monooxygenase | | Descriptor: | COPPER (II) ION, GLYCEROL, Peptidyl-glycine alpha-amidating monooxygenase | | Authors: | Siebert, X, Eipper, B.A, Mains, R.E, Prigge, S.T, Blackburn, N.J, Amzel, L.M. | | Deposit date: | 2005-01-11 | | Release date: | 2005-11-15 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The catalytic copper of Peptidylglycine alpha-Hydroxylating Monooxygenase also plays a critical structural role.
Biophys.J., 89, 2005
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2O4L
 | | Crystal Structure of HIV-1 Protease (Q7K, I50V) in Complex with Tipranavir | | Descriptor: | CHLORIDE ION, GLYCEROL, N-(3-{(1R)-1-[(6R)-4-HYDROXY-2-OXO-6-PHENETHYL-6-PROPYL-5,6-DIHYDRO-2H-PYRAN-3-YL]PROPYL}PHENYL)-5-(TRIFLUOROMETHYL)-2-PYRIDINESULFONAMIDE, ... | | Authors: | Armstrong, A.A, Muzammil, S, Jakalian, A, Bonneau, P.R, Schmelmer, V, Freire, E, Amzel, L.M. | | Deposit date: | 2006-12-04 | | Release date: | 2006-12-12 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.33 Å) | | Cite: | Unique thermodynamic response of tipranavir to human immunodeficiency virus type 1 protease drug resistance mutations.
J.Virol., 81, 2007
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2O4P
 | | Crystal Structure of HIV-1 Protease (Q7K) in Complex with Tipranavir | | Descriptor: | GLYCEROL, N-(3-{(1R)-1-[(6R)-4-HYDROXY-2-OXO-6-PHENETHYL-6-PROPYL-5,6-DIHYDRO-2H-PYRAN-3-YL]PROPYL}PHENYL)-5-(TRIFLUOROMETHYL)-2-PYRIDINESULFONAMIDE, protease | | Authors: | Kang, L.W, Armstrong, A.A, Muzammil, S, Jakalian, A, Bonneau, P.R, Schmelmer, V, Freire, E, Amzel, L.M. | | Deposit date: | 2006-12-04 | | Release date: | 2006-12-12 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Unique thermodynamic response of tipranavir to human immunodeficiency virus type 1 protease drug resistance mutations.
J.Virol., 81, 2007
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1YJK
 | | Reduced Peptidylglycine Alpha-Hydroxylating Monooxygenase (PHM) in a New Crystal Form | | Descriptor: | COPPER (II) ION, GLYCEROL, Peptidyl-glycine alpha-amidating monooxygenase | | Authors: | Siebert, X, Eipper, B.A, Mains, R.E, Prigge, S.T, Blackburn, N.J, Amzel, L.M. | | Deposit date: | 2005-01-14 | | Release date: | 2005-11-15 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The Catalytic Copper of Peptidylglycine alpha-Hydroxylating Monooxygenase also Plays a Critical Structural Role.
Biophys.J., 89, 2005
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1YJL
 | | Reduced Peptidylglycine alpha-Hydroxylating Monooxygenase in a new crystal form | | Descriptor: | Peptidyl-glycine alpha-amidating monooxygenase | | Authors: | Siebert, X, Eipper, B.A, Mains, R.E, Prigge, S.T, Blackburn, N.J, Amzel, L.M. | | Deposit date: | 2005-01-14 | | Release date: | 2005-11-15 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | The catalytic copper of Peptidylglycine alpha-Hydroxylating Monooxygenase also plays a critical structural role.
Biophys.J., 89, 2005
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1GG5
 | | CRYSTAL STRUCTURE OF A COMPLEX OF HUMAN NAD[P]H-QUINONE OXIDOREDUCTASE AND A CHEMOTHERAPEUTIC DRUG (E09) AT 2.5 A RESOLUTION | | Descriptor: | 3-HYDROXYMETHYL-5-AZIRIDINYL-1METHYL-2-[1H-INDOLE-4,7-DIONE]-PROPANOL, FLAVIN-ADENINE DINUCLEOTIDE, NAD(P)H DEHYDROGENASE [QUINONE] 1 | | Authors: | Faig, M, Bianchet, M.A, Winski, S, Hargreaves, R, Moody, C.J, Hudnott, A.R, Ross, D, Amzel, L.M. | | Deposit date: | 2000-07-12 | | Release date: | 2001-09-12 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure-based development of anticancer drugs: complexes of NAD(P)H:quinone oxidoreductase 1 with chemotherapeutic quinones.
Structure, 9, 2001
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1YIP
 | | Oxidized Peptidylglycine Alpha-Hydroxylating Monooxygenase (PHM) in a New Crystal Form | | Descriptor: | COPPER (II) ION, Peptidyl-glycine alpha-amidating monooxygenase | | Authors: | Siebert, X, Eipper, B.A, Mains, R.E, Prigge, S.T, Blackburn, N.J, Amzel, L.M. | | Deposit date: | 2005-01-12 | | Release date: | 2005-11-15 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The Catalytic Copper of Peptidylglycine alpha-Hydroxylating Monooxygenase also Plays a Critical Structural Role.
Biophys.J., 89, 2005
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1YHK
 | | Trypanosoma cruzi farnesyl diphosphate synthase | | Descriptor: | SULFATE ION, farnesyl pyrophosphate synthase | | Authors: | Gabelli, S.B, McLellan, J.S, Montalvetti, A, Oldfield, E, Docampo, R, Amzel, L.M. | | Deposit date: | 2005-01-09 | | Release date: | 2005-12-20 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure and mechanism of the farnesyl diphosphate synthase from Trypanosoma cruzi: Implications for drug design.
Proteins, 62, 2005
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2OXM
 | | Crystal structure of a UNG2/modified DNA complex that represent a stabilized short-lived extrahelical state in ezymatic DNA base flipping | | Descriptor: | DNA (5'-D(*AP*AP*AP*GP*AP*TP*(4MF)P*AP*CP*A)-3'), DNA (5'-D(*TP*GP*TP*TP*AP*TP*CP*TP*T)-3'), Uracil-DNA glycosylase | | Authors: | Bianchet, M.A, Krosky, D.J, Stivers, J.T, Amzel, L.M. | | Deposit date: | 2007-02-20 | | Release date: | 2007-10-30 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Enzymatic capture of an extrahelical thymine in the search for uracil in DNA.
Nature, 449, 2007
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2OYT
 | | Crystal Structure of UNG2/DNA(TM) | | Descriptor: | DNA strand1, DNA strand2, Uracil-DNA glycosylase | | Authors: | Bianchet, M.A, Krosky, D.J, Stivers, J.T, Amzel, L.M. | | Deposit date: | 2007-02-22 | | Release date: | 2007-10-30 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Enzymatic capture of an extrahelical thymine in the search for uracil in DNA.
Nature, 449, 2007
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1H69
 | | CRYSTAL STRUCTURE OF HUMAN NAD[P]H-QUINONE OXIDOREDUCTASE CO WITH 2,3,5,6,TETRAMETHYL-P-BENZOQUINONE (DUROQUINONE) AT 2.5 ANGSTROM RESOLUTION | | Descriptor: | 3-(HYDROXYMETHYL)-1-METHYL-5-(2-METHYLAZIRIDIN-1-YL)-2-PHENYL-1H-INDOLE-4,7-DIONE, FLAVIN-ADENINE DINUCLEOTIDE, NAD(P)H DEHYDROGENASE [QUINONE] 1 | | Authors: | Faig, M, Bianchet, M.A, Chen, S, Winski, S, Ross, D, Amzel, L.M. | | Deposit date: | 2001-06-08 | | Release date: | 2001-09-05 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Structure-Based Development of Anticancer Drugs: Complexes of Nad(P)H:Quinone Oxidoreductase 1 with Chemotherapeutic Quinones
Structure, 9, 2001
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1H66
 | | CRYSTAL STRUCTURE OF HUMAN NAD[P]H-QUINONE OXIDOREDUCTASE CO WITH 2,5-diaziridinyl-3-hydroxyl-6-methyl-1,4-benzoquinone | | Descriptor: | 2,5-DIAZIRIDIN-1-YL-3-(HYDROXYMETHYL)-6-METHYLCYCLOHEXA-2,5-DIENE-1,4-DIONE, FLAVIN-ADENINE DINUCLEOTIDE, NAD(P)H DEHYDROGENASE [QUINONE] 1 | | Authors: | Faig, M, Bianchet, M.A, Winski, S, Ross, D, Amzel, L.M. | | Deposit date: | 2001-06-06 | | Release date: | 2001-09-05 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure-Based Development of Anticancer Drugs: Complexes of Nad(P)H:Quinone Oxidoreductase 1 with Chemotherapeutic Quinones
Structure, 9, 2001
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1SDW
 | | Reduced (Cu+) peptidylglycine alpha-hydroxylating monooxygenase with bound peptide and dioxygen | | Descriptor: | COPPER (II) ION, GLYCEROL, N-ALPHA-ACETYL-3,5-DIIODOTYROSYL-D-THREONINE, ... | | Authors: | Prigge, S.T, Eipper, B.A, Mains, R.E, Amzel, L.M. | | Deposit date: | 2004-02-14 | | Release date: | 2004-05-11 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Dioxygen binds end-on to mononuclear copper in a precatalytic enzyme complex.
Science, 304, 2004
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3FZD
 | | Mutation of Asn28 disrupts the enzymatic activity and dimerization of SARS 3CLpro | | Descriptor: | 3C-like proteinase | | Authors: | Barrila, J, Gabelli, S, Bacha, U, Amzel, L.M, Freire, E. | | Deposit date: | 2009-01-25 | | Release date: | 2010-05-05 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Mutation of Asn28 disrupts the dimerization and enzymatic activity of SARS 3CL(pro) .
Biochemistry, 49, 2010
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3HUD
 | | THE STRUCTURE OF HUMAN BETA 1 BETA 1 ALCOHOL DEHYDROGENASE: CATALYTIC EFFECTS OF NON-ACTIVE-SITE SUBSTITUTIONS | | Descriptor: | ALCOHOL DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ZINC ION | | Authors: | Hurley, T.D, Bosron, W.F, Hamilton, J.A, Amzel, L.M. | | Deposit date: | 1993-01-04 | | Release date: | 1994-01-31 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structure of human beta 1 beta 1 alcohol dehydrogenase: catalytic effects of non-active-site substitutions.
Proc.Natl.Acad.Sci.USA, 88, 1991
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1RYA
 | | Crystal Structure of the E. coli GDP-mannose mannosyl hydrolase in complex with GDP and MG | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, GDP-mannose mannosyl hydrolase, ... | | Authors: | Gabelli, S.B, Bianchet, M.A, Legler, P.M, Mildvan, A.S, Amzel, L.M. | | Deposit date: | 2003-12-20 | | Release date: | 2004-06-22 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Structure and mechanism of GDP-mannose glycosyl hydrolase, a Nudix enzyme that cleaves at carbon instead of phosphorus.
Structure, 12, 2004
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1DXO
 | | Crystal structure of human NAD[P]H-QUINONE oxidoreductase CO with 2,3,5,6,tetramethyl-P-benzoquinone (duroquinone) at 2.5 Angstrom resolution | | Descriptor: | DUROQUINONE, FLAVIN-ADENINE DINUCLEOTIDE, QUINONE REDUCTASE | | Authors: | Faig, M, Bianchet, M.A, Chen, S, Winski, S, Ross, D, Amzel, L.M. | | Deposit date: | 2000-01-12 | | Release date: | 2000-04-23 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structures of Recombinant Mouse and Human Nad(P)H:Quinone Oxidoreductases:Species Comparison and Structural Changes with Substrate Binding and Release
Proc.Natl.Acad.Sci.USA, 97, 2000
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1DXQ
 | | CRYSTAL STRUCTURE OF MOUSE NAD[P]H-QUINONE OXIDOREDUCTASE | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, QUINONE REDUCTASE | | Authors: | Faig, M, Bianchet, M.A, Chen, S, Winski, S, Ross, D, Amzel, L.M. | | Deposit date: | 2000-01-14 | | Release date: | 2000-04-17 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structures of Recombinant Mouse and Human Nad(P)H:Quinone Oxidoreductases:Species Comparison and Structural Changes with Substrate Binding and Release
Proc.Natl.Acad.Sci.USA, 97, 2000
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