4K4Q
| TL-3 inhibited Trp6Ala HIV Protease with 3-bromo-2,6-dimethoxybenzoic acid bound in flap site | Descriptor: | 3-bromo-2,6-dimethoxybenzoic acid, BETA-MERCAPTOETHANOL, DIMETHYL SULFOXIDE, ... | Authors: | Tiefenbrunn, T, Stout, C.D. | Deposit date: | 2013-04-12 | Release date: | 2013-09-18 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystallographic Fragment-Based Drug Discovery: Use of a Brominated Fragment Library Targeting HIV Protease. Chem.Biol.Drug Des., 83, 2014
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4K4R
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4K4P
| TL-3 inhibited Trp6Ala HIV Protease | Descriptor: | HIV-1 protease, NITRATE 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: | Tiefenbrunn, T, Stout, C.D. | Deposit date: | 2013-04-12 | Release date: | 2013-09-18 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Crystallographic Fragment-Based Drug Discovery: Use of a Brominated Fragment Library Targeting HIV Protease. Chem.Biol.Drug Des., 83, 2014
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1F7D
| CRYSTAL STRUCTURES OF FELINE IMMUNODEFICIENCY VIRUS DUTP PYROPHOSPHATASE AND ITS NUCLEOTIDE COMPLEXES IN THREE CRYSTAL FORMS | Descriptor: | MAGNESIUM ION, POL POLYPROTEIN | Authors: | Prasad, G.S, Stura, E.A, Elder, J.H, Stout, C.D. | Deposit date: | 2000-06-26 | Release date: | 2000-09-06 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structures of feline immunodeficiency virus dUTP pyrophosphatase and its nucleotide complexes in three crystal forms. Acta Crystallogr.,Sect.D, 56, 2000
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1F7K
| CRYSTAL STRUCTURES OF FELINE IMMUNODEFICIENCY VIRUS DUTP PYROPHOSPHATASE AND ITS NUCLEOTIDE COMPLEXES IN THREE CRYSTAL FORMS. | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, MAGNESIUM ION, POL POLYPROTEIN | Authors: | Prasad, G.S, Stura, E.A, Elder, J.H, Stout, C.D. | Deposit date: | 2000-06-27 | Release date: | 2000-09-06 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structures of feline immunodeficiency virus dUTP pyrophosphatase and its nucleotide complexes in three crystal forms. Acta Crystallogr.,Sect.D, 56, 2000
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1F7N
| CRYSTAL STRUCTURES OF FELINE IMMUNODEFICIENCY VIRUS DUTP PYROPHOSPHATASE AND ITS NUCLEOTIDE COMPLEXES IN THREE CRYSTAL FORMS. | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, MAGNESIUM ION, POL POLYPROTEIN | Authors: | Prasad, G.S, Stura, E.A, Elder, J.H, Stout, C.D. | Deposit date: | 2000-06-27 | Release date: | 2000-09-06 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structures of feline immunodeficiency virus dUTP pyrophosphatase and its nucleotide complexes in three crystal forms. Acta Crystallogr.,Sect.D, 56, 2000
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1F7O
| CRYSTAL STRUCTURES OF FELINE IMMUNODEFICIENCY VIRUS DUTP PYROPHOSPHATASE AND ITS NUCLEOTIDE COMPLEXES IN THREE CRYSTAL FORMS. | Descriptor: | POL POLYPROTEIN | Authors: | Prasad, G.S, Stura, E.A, Elder, J.H, Stout, C.D. | Deposit date: | 2000-06-27 | Release date: | 2000-09-06 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structures of feline immunodeficiency virus dUTP pyrophosphatase and its nucleotide complexes in three crystal forms. Acta Crystallogr.,Sect.D, 56, 2000
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1F7Q
| CRYSTAL STRUCTURES OF FELINE IMMUNODEFICIENCY VIRUS DUTP PYROPHOSPHATASE AND ITS NUCLEOTIDE COMPLEXES IN THREE CRYSTAL FORMS. | Descriptor: | DEOXYURIDINE-5'-TRIPHOSPHATE, POL POLYPROTEIN | Authors: | Prasad, G.S, Stura, E.A, Elder, J.H, Stout, C.D. | Deposit date: | 2000-06-27 | Release date: | 2000-09-06 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Structures of feline immunodeficiency virus dUTP pyrophosphatase and its nucleotide complexes in three crystal forms. Acta Crystallogr.,Sect.D, 56, 2000
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1F7R
| CRYSTAL STRUCTURES OF FELINE IMMUNODEFICIENCY VIRUS DUTP PYROPHOSPHATASE AND ITS NUCLEOTIDE COMPLEXES IN THREE CRYSTAL FORMS. | Descriptor: | MAGNESIUM ION, POL POLYPROTEIN, URIDINE-5'-DIPHOSPHATE | Authors: | Prasad, G.S, Stura, E.A, Elder, J.H, Stout, C.D. | Deposit date: | 2000-06-27 | Release date: | 2000-09-06 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structures of feline immunodeficiency virus dUTP pyrophosphatase and its nucleotide complexes in three crystal forms. Acta Crystallogr.,Sect.D, 56, 2000
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1F7P
| CRYSTAL STRUCTURES OF FELINE IMMUNODEFICIENCY VIRUS DUTP PYROPHOSPHATASE AND ITS NUCLEOTIDE COMPLEXES IN THREE CRYSTAL FORMS. | Descriptor: | POL POLYPROTEIN, URIDINE-5'-DIPHOSPHATE | Authors: | Prasad, G.S, Stura, E.A, Elder, J.H, Stout, C.D. | Deposit date: | 2000-06-27 | Release date: | 2000-09-06 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structures of feline immunodeficiency virus dUTP pyrophosphatase and its nucleotide complexes in three crystal forms. Acta Crystallogr.,Sect.D, 56, 2000
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3MDR
| Tranylcypromine complex of Cytochrome P450 46A1 | Descriptor: | (1R,2S)-2-phenylcyclopropanamine, Cholesterol 24-hydroxylase, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Mast, N, Charvet, C, Pikuleva, I, Stout, C.D. | Deposit date: | 2010-03-30 | Release date: | 2010-07-28 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural basis of drug binding to CYP46A1, an enzyme that controls cholesterol turnover in the brain. J.Biol.Chem., 285, 2010
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3MDT
| Voriconazole complex of Cytochrome P450 46A1 | Descriptor: | Cholesterol 24-hydroxylase, PROTOPORPHYRIN IX CONTAINING FE, Voriconazole | Authors: | Mast, N, Charvet, C, Pikuleva, I, Stout, C.D. | Deposit date: | 2010-03-30 | Release date: | 2010-07-28 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural basis of drug binding to CYP46A1, an enzyme that controls cholesterol turnover in the brain. J.Biol.Chem., 285, 2010
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3MDM
| Thioperamide complex of Cytochrome P450 46A1 | Descriptor: | Cholesterol 24-hydroxylase, N-cyclohexyl-4-(1H-imidazol-5-yl)piperidine-1-carbothioamide, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Mast, N, Charvet, C, Pikuleva, I, Stout, C.D. | Deposit date: | 2010-03-30 | Release date: | 2010-07-28 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural basis of drug binding to CYP46A1, an enzyme that controls cholesterol turnover in the brain. J.Biol.Chem., 285, 2010
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3MDV
| Clotrimazole complex of Cytochrome P450 46A1 | Descriptor: | 1-[(2-CHLOROPHENYL)(DIPHENYL)METHYL]-1H-IMIDAZOLE, Cholesterol 24-hydroxylase, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Mast, N, Charvet, C, Pikuleva, I, Stout, C.D. | Deposit date: | 2010-03-30 | Release date: | 2010-07-28 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural basis of drug binding to CYP46A1, an enzyme that controls cholesterol turnover in the brain. J.Biol.Chem., 285, 2010
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4ZV8
| Structure of CYP2B6 (Y226H/K262R) with additional mutation Y244W in complex with alpha-Pinene | Descriptor: | (+)-alpha-Pinene, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B6, ... | Authors: | Liu, J, Shah, M.B, Stout, C.D, Halpert, J.R. | Deposit date: | 2015-05-18 | Release date: | 2016-03-30 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | Coumarin Derivatives as Substrate Probes of Mammalian Cytochromes P450 2B4 and 2B6: Assessing the Importance of 7-Alkoxy Chain Length, Halogen Substitution, and Non-Active Site Mutations. Biochemistry, 55, 2016
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5E0E
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5E58
| Crystal Structure Of Cytochrome P450 2B35 from Desert Woodrat Neotoma Lepida in complex with 4-(4-chlorophenyl)imidazole | Descriptor: | 4-(4-CHLOROPHENYL)IMIDAZOLE, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 family 2 subfamily B, ... | Authors: | Shah, M.B, Stout, C.D, Halpert, J.R. | Deposit date: | 2015-10-08 | Release date: | 2016-02-10 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure-Function Analysis of Mammalian CYP2B Enzymes Using 7-Substituted Coumarin Derivatives as Probes: Utility of Crystal Structures and Molecular Modeling in Understanding Xenobiotic Metabolism. Mol.Pharmacol., 89, 2016
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1L7E
| Crystal Structure of R. rubrum Transhydrogenase Domain I with Bound NADH | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, nicotinamide nucleotide Transhydrogenase, subunit alpha 1 | Authors: | Prasad, G.S, Wahlberg, M, Sridhar, V, Yamaguchi, M, Hatefi, Y, Stout, C.D. | Deposit date: | 2002-03-14 | Release date: | 2002-11-20 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal Structures of Transhydrogenase Domain I
with and without Bound NADH Biochemistry, 41, 2002
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1L7D
| Crystal Structure of R. rubrum Transhydrogenase Domain I without Bound NAD(H) | Descriptor: | nicotinamide nucleotide Transhydrogenase, subunit alpha 1 | Authors: | Prasad, G.S, Wahlberg, M, Sridhar, V, Yamaguchi, M, Hatefi, Y, Stout, C.D. | Deposit date: | 2002-03-14 | Release date: | 2002-11-20 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Crystal Structures of Transhydrogenase Domain I
with and without Bound NADH Biochemistry, 41, 2002
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1LIS
| THE CRYSTAL STRUCTURE OF A FERTILIZATION PROTEIN | Descriptor: | LYSIN | Authors: | Shaw, A, Mcree, D.E, Vacquier, V.D, Stout, C.D. | Deposit date: | 1993-06-29 | Release date: | 1993-10-31 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The crystal structure of lysin, a fertilization protein. Science, 262, 1993
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1LWL
| Crystal Structure of Cytochrome P450-cam with a Fluorescent Probe D-8-Ad (Adamantane-1-carboxylic acid-5-dimethylamino-naphthalene-1-sulfonylamino-octyl-amide) | Descriptor: | ADAMANTANE-1-CARBOXYLIC ACID-5-DIMETHYLAMINO-NAPHTHALENE-1-SULFONYLAMINO-OCTYL-AMIDE, Cytochrome P450-cam, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Dunn, A.R, Hays, A.M, Goodin, D.B, Stout, C.D, Chiu, R, Winkler, J.R, Gray, H.B. | Deposit date: | 2002-05-31 | Release date: | 2002-12-18 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Fluorescent probes for cytochrome P450 structural characterization and inhibitor screening J.AM.CHEM.SOC., 124, 2002
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1N6B
| Microsomal Cytochrome P450 2C5/3LVdH Complex with a dimethyl derivative of sulfaphenazole | Descriptor: | 4-METHYL-N-METHYL-N-(2-PHENYL-2H-PYRAZOL-3-YL)BENZENESULFONAMIDE, Cytochrome P450 2C5, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Wester, M.R, Johnson, E.F, Marques-Soares, C, Dansette, P.M, Mansuy, D, Stout, C.D. | Deposit date: | 2002-11-09 | Release date: | 2003-06-03 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure of a Substrate Complex of Mammalian Cytochrome P450 2C5 at 2.3 A Resolution: Evidence
for Multiple Substrate Binding Modes Biochemistry, 42, 2003
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1NYK
| Crystal Structure of the Rieske protein from Thermus thermophilus | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, MAGNESIUM ION, Rieske iron-sulfur protein | Authors: | Hunsicker-Wang, L.M, Heine, A, Chen, Y, Luna, E.P, Todaro, T, Zhang, Y.M, Williams, P.A, McRee, D.E, Hirst, J, Stout, C.D, Fee, J.A. | Deposit date: | 2003-02-12 | Release date: | 2003-06-24 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.31 Å) | Cite: | High resolution structure of the soluble, respiratory-type Rieske protein from Thermus thermophilus: Analysis and Comparison Biochemistry, 42, 2003
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1NR6
| MICROSOMAL CYTOCHROME P450 2C5/3LVDH COMPLEX WITH DICLOFENAC | Descriptor: | 2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID, CYTOCHROME P450 2C5, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Wester, M.R, Johnson, E.F, Stout, C.D. | Deposit date: | 2003-01-23 | Release date: | 2003-08-12 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure of Mammalian Cytochrome P450 2C5 Complexed with Diclofenac at 2.1 A Resolution: Evidence for an Induced Fit Model of Substrate Binding Biochemistry, 42, 2003
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1NMU
| MBP-L30 | Descriptor: | 60S ribosomal protein L30, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, maltose-binding periplasmic protein | Authors: | Chao, J.A, Prasad, G.S, White, S.A, Stout, C.D, Williamson, J.R. | Deposit date: | 2003-01-10 | Release date: | 2003-02-18 | Last modified: | 2022-12-21 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Inherent Protein Structural Flexibility at the RNA-binding Interface of L30e J.Mol.Biol., 326, 2003
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