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3BHI
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BU of 3bhi by Molmil
Crystal structure of human Carbonyl Reductase 1 in complex with NADP
Descriptor: CHLORIDE ION, Carbonyl reductase [NADPH] 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Rauh, D, Bateman, R.L, Shokat, K.M.
Deposit date:2007-11-28
Release date:2008-10-21
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Human carbonyl reductase 1 is an s-nitrosoglutathione reductase
J.Biol.Chem., 283, 2008
1OUQ
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BU of 1ouq by Molmil
Crystal structure of wild-type Cre recombinase-loxP synapse
Descriptor: Cre recombinase, IODIDE ION, MAGNESIUM ION, ...
Authors:Ennifar, E, Meyer, J.E.W, Buchholz, F, Stewart, A.F, Suck, D.
Deposit date:2003-03-25
Release date:2003-09-16
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Crystal structure of a wild-type Cre recombinase-loxP synapse reveals a novel spacer conformation suggesting an alternative mechanism for DNA cleavage activation
Nucleic Acids Res., 31, 2003
1B74
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BU of 1b74 by Molmil
GLUTAMATE RACEMASE FROM AQUIFEX PYROPHILUS
Descriptor: D-GLUTAMINE, GLUTAMATE RACEMASE
Authors:Hwang, K.Y, Cho, C.S, Kim, S.S, Yu, Y.G, Cho, Y.
Deposit date:1999-01-27
Release date:2000-01-28
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure and mechanism of glutamate racemase from Aquifex pyrophilus.
Nat.Struct.Biol., 6, 1999
3CXY
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BU of 3cxy by Molmil
Crystal structure of the cytochrome P450 CYP121 P346L mutant from M. tuberculosis
Descriptor: Cytochrome P450 121, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
Authors:Leys, D.
Deposit date:2008-04-25
Release date:2008-09-23
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Characterization of active site structure in CYP121
TO BE PUBLISHED
1DT6
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BU of 1dt6 by Molmil
STRUCTURE OF MAMMALIAN CYTOCHROME P450 2C5
Descriptor: CYTOCHROME P450 2C5, PROTOPORPHYRIN IX CONTAINING FE, SAMARIUM (III) ION, ...
Authors:Williams, P.A, Cosme, J, Sridhar, V, Johnson, E.F, McRee, D.E.
Deposit date:2000-01-11
Release date:2000-09-27
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (3 Å)
Cite:Mammalian microsomal cytochrome P450 monooxygenase: structural adaptations for membrane binding and functional diversity.
Mol.Cell, 5, 2000
2Z9B
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BU of 2z9b by Molmil
The crystal structure of AzoR (azoreductase) from Escherichia coli: Reduced AzoR in tetragonal crystals
Descriptor: 1,2-ETHANEDIOL, FLAVIN MONONUCLEOTIDE, FMN-dependent NADH-azoreductase
Authors:Ito, K.
Deposit date:2007-09-18
Release date:2008-03-11
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Expansion of Substrate Specificity and Catalytic Mechanism of Azoreductase by X-ray Crystallography and Site-directed Mutagenesis
J.Biol.Chem., 283, 2008
1DXM
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BU of 1dxm by Molmil
Reduced form of the H protein from glycine decarboxylase complex
Descriptor: DIHYDROLIPOIC ACID, H PROTEIN
Authors:Faure, M, Cohen-Addad, C, Neuburger, M, Douce, R.
Deposit date:2000-01-10
Release date:2000-07-04
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Interaction between the Lipoamide-Containing H-Protein and the Lipoamide Dehydrogenase (L-Protein) of the Glycine Decarboxylase Multienzyme System. 2. Crystal Structure of H- and L-Proteins
Eur.J.Biochem., 267, 2000
3CV8
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BU of 3cv8 by Molmil
Crystal structure of vitamin D hydroxylase cytochrome P450 105A1 (R84F mutant)
Descriptor: Cytochrome P450-SU1, PROTOPORPHYRIN IX CONTAINING FE
Authors:Hayashi, K, Sugimoto, H, Shinkyo, R, Yamada, M, Ikeda, S, Ikushiro, S, Kamakura, M, Shiro, Y, Sakaki, T.
Deposit date:2008-04-18
Release date:2008-11-04
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-based design of a highly active vitamin D hydroxylase from Streptomyces griseolus CYP105A1
Biochemistry, 47, 2008
3CXX
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BU of 3cxx by Molmil
Crystal structure of cytochrome P450 CYP121 F338H from M. tuberculosis
Descriptor: Cytochrome P450 121, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
Authors:Leys, D.
Deposit date:2008-04-25
Release date:2008-09-23
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Characterization of the active site structure of CY121
TO BE PUBLISHED
3CXV
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BU of 3cxv by Molmil
Crystal structure of the Cytochrome P450 CYP121 A233G mutant from Mycobacterium tuberculosis
Descriptor: Cytochrome P450 121, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
Authors:Leys, D.
Deposit date:2008-04-25
Release date:2008-09-23
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Characterization of active site structure in CYP121. A cytochrome P450 essential for viability of Mycobacterium tuberculosis H37Rv.
J.Biol.Chem., 283, 2008
3CY0
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BU of 3cy0 by Molmil
Crystal structure of cytochrome P450 CYP121 S237A mutant from Mycobacterium tuberculosis
Descriptor: Cytochrome P450 121, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
Authors:Leys, D.
Deposit date:2008-04-25
Release date:2008-09-23
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Characterisation of active site structure of cytochrome CYP121
TO BE PUBLISHED
1DXY
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BU of 1dxy by Molmil
STRUCTURE OF D-2-HYDROXYISOCAPROATE DEHYDROGENASE
Descriptor: 2-OXO-4-METHYLPENTANOIC ACID, D-2-HYDROXYISOCAPROATE DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Dengler, U, Niefind, K, Kiess, M, Schomburg, D.
Deposit date:1996-08-13
Release date:1997-06-16
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Crystal structure of a ternary complex of D-2-hydroxyisocaproate dehydrogenase from Lactobacillus casei, NAD+ and 2-oxoisocaproate at 1.9 A resolution.
J.Mol.Biol., 267, 1997
1EO9
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BU of 1eo9 by Molmil
CRYSTAL STRUCTURE OF ACINETOBACTER SP. ADP1 PROTOCATECHUATE 3,4-DIOXYGENASE AT PH < 7.0
Descriptor: FE (III) ION, PROTOCATECHUATE 3,4-DIOXYGENASE ALPHA CHAIN, PROTOCATECHUATE 3,4-DIOXYGENASE BETA CHAIN;, ...
Authors:Vetting, M.W, D'Argenio, D.A, Ornston, L.N, Ohlendorf, D.H.
Deposit date:2000-03-22
Release date:2000-08-09
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of Acinetobacter strain ADP1 protocatechuate 3, 4-dioxygenase at 2.2 A resolution: implications for the mechanism of an intradiol dioxygenase.
Biochemistry, 39, 2000
1EOB
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BU of 1eob by Molmil
CRYSTAL STRUCTURE OF ACINETOBACTER SP. ADP1 PROTOCATECHUATE 3,4-DIOXYGENASE IN COMPLEX WITH 3,4-DIHYDROXYBENZOATE
Descriptor: 3,4-DIHYDROXYBENZOIC ACID, FE (III) ION, PROTOCATECHUATE 3,4-DIOXYGENASE ALPHA CHAIN, ...
Authors:Vetting, M.W, D'Argenio, D.A, Ornston, L.N, Ohlendorf, D.H.
Deposit date:2000-03-22
Release date:2000-08-09
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of Acinetobacter strain ADP1 protocatechuate 3, 4-dioxygenase at 2.2 A resolution: implications for the mechanism of an intradiol dioxygenase.
Biochemistry, 39, 2000
7RYA
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BU of 7rya by Molmil
S. CEREVISIAE CYP51 I471T MUTANT COMPLEXED WITH ITRACONAZOLE
Descriptor: 2-[(2R)-butan-2-yl]-4-{4-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazin-1-yl]phenyl}-2,4-dihydro-3H-1,2,4-triazol-3-one, Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Graham, D.O, Wilson, R.K, Ruma, Y.N, Keniya, M.V, Tyndall, J.D, Monk, B.C.
Deposit date:2021-08-24
Release date:2021-09-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural Insights into the Azole Resistance of the Candida albicans Darlington Strain Using Saccharomyces cerevisiae Lanosterol 14 alpha-Demethylase as a Surrogate.
J Fungi (Basel), 7, 2021
8TWU
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BU of 8twu by Molmil
Crystal structure of Cytochrome P450 AspB bound to N1-methylated cyclo-L-Trp-L-Pro
Descriptor: (3S,5S,8aS)-3-[(1-methyl-1H-indol-3-yl)methyl]hexahydropyrrolo[1,2-a]pyrazine-1,4-dione, Cytochrome P450 AspB, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Gering, H.E, Li, X, Tang, H, Swartz, P.D, Chang, W.-C, Makris, T.M.
Deposit date:2023-08-21
Release date:2023-09-20
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:A Ferric-Superoxide Intermediate Initiates P450-Catalyzed Cyclic Dipeptide Dimerization.
J.Am.Chem.Soc., 145, 2023
7RY9
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BU of 7ry9 by Molmil
S. CEREVISIAE CYP51 I471T mutant COMPLEXED WITH Voriconazole
Descriptor: Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE, TETRAETHYLENE GLYCOL, ...
Authors:Graham, D.O, Wilson, R.K, Ruma, Y.N, Keniya, M.V, Tyndall, J.D, Monk, B.C.
Deposit date:2021-08-24
Release date:2021-09-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural Insights into the Azole Resistance of the Candida albicans Darlington Strain Using Saccharomyces cerevisiae Lanosterol 14 alpha-Demethylase as a Surrogate.
J Fungi (Basel), 7, 2021
8U01
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BU of 8u01 by Molmil
Crystal Structure of the Glycoside Hydrolase Family 2 TIM Barrel-domain Containing Protein from Phocaeicola plebeius
Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ACETATE ION, ...
Authors:Kim, Y, Joachimiak, G, Endres, M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2023-08-28
Release date:2023-09-27
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal Structure of the Glycoside Hydrolase Family 2 TIM Barrel-domain Containing Protein from Phocaeicola plebeius
To Be Published
7RY8
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BU of 7ry8 by Molmil
S. CEREVISIAE CYP51 Y140H mutant COMPLEXED WITH Voriconazole
Descriptor: Lanosterol 14-alpha demethylase, PENTAETHYLENE GLYCOL, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Graham, D.O, Wilson, R.K, Ruma, Y.N, Keniya, M.V, Tyndall, J.D, Monk, B.C.
Deposit date:2021-08-24
Release date:2021-09-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Structural Insights into the Azole Resistance of the Candida albicans Darlington Strain Using Saccharomyces cerevisiae Lanosterol 14 alpha-Demethylase as a Surrogate.
J Fungi (Basel), 7, 2021
8U2W
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BU of 8u2w by Molmil
Glucose-6-phosphate 1-dehydrogenase (G6PDH) from Crithidia fasciculata (NADP bound)
Descriptor: Acetyl-coenzyme A synthetase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2023-09-06
Release date:2023-09-13
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Glucose-6-phosphate 1-dehydrogenase (G6PDH) from Crithidia fasciculata (NADP bound)
To be published
7RYB
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S. CEREVISIAE CYP51 Y140H/I471T - double mutant COMPLEXED WITH Voriconazole
Descriptor: Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE, Voriconazole
Authors:Graham, D.O, Wilson, R.K, Ruma, Y.N, Keniya, M.V, Tyndall, J.D, Monk, B.C.
Deposit date:2021-08-24
Release date:2021-09-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural Insights into the Azole Resistance of the Candida albicans Darlington Strain Using Saccharomyces cerevisiae Lanosterol 14 alpha-Demethylase as a Surrogate.
J Fungi (Basel), 7, 2021
7RYX
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S. CEREVISIAE CYP51 COMPLEXED WITH VT-1129
Descriptor: (2R)-2-(2,4-difluorophenyl)-1,1-difluoro-3-(1H-tetrazol-1-yl)-1-{5-[4-(trifluoromethoxy)phenyl]pyridin-2-yl}propan-2-ol, Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Ruma, Y.N, Sagatova, A, Keniya, M.V, Tyndall, J.D, Monk, B.C.
Deposit date:2021-08-26
Release date:2021-09-08
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Characterisation of Candida parapsilosis CYP51 as a Drug Target Using Saccharomyces cerevisiae as Host.
J Fungi, 8, 2022
7M1Z
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BU of 7m1z by Molmil
Targeting Enterococcus faecalis HMG-CoA reductase with a novel non-statin inhibitor
Descriptor: (R)-MEVALONATE, 3-HYDROXY-3-METHYLGLUTARYL-COENZYME A, ACETATE ION, ...
Authors:Bose, S, Steussy, C.N, Stauffacher, C.V.
Deposit date:2021-03-15
Release date:2022-09-21
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Targeting Enterococcus faecalis HMG-CoA reductase with a non-statin inhibitor
Nat Commun, 2023
7M3H
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BU of 7m3h by Molmil
Targeting Enterococcus faecalis HMG-CoA reductase with a novel non-statin inhibitor
Descriptor: 5-[(4-butylphenyl)sulfamoyl]-2-hydroxybenzoic acid, CALCIUM ION, Hydroxymethylglutaryl-CoA reductase, ...
Authors:Bose, S, Steussy, C.N, Stauffacher, C.V.
Deposit date:2021-03-18
Release date:2022-09-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.27 Å)
Cite:Targeting Enterococcus faecalis HMG-CoA reductase with a novel non-statin inhibitor
To Be Published
6QXR
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4'-phosphopantetheinyl transferase PptAb from Mycobacterium abscessus at pH 8.5 with Mn2+ and CoA.
Descriptor: CALCIUM ION, COENZYME A, MANGANESE (II) ION, ...
Authors:Nguyen, M.C, Mourey, L, Pedelacq, J.D.
Deposit date:2019-03-07
Release date:2020-03-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Conformational flexibility of coenzyme A and its impact on the post-translational modification of acyl carrier proteins by 4'-phosphopantetheinyl transferases.
Febs J., 287, 2020

223790

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