4BNI
 
 | | Crystal structure of S. aureus FabI in complex with NADP and 2-(2- aminophenoxy)-5-hexylphenol | | Descriptor: | 2-(2-azanylphenoxy)-5-hexyl-phenol, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADPH], GLUTAMIC ACID, ... | | Authors: | Schiebel, J, Chang, A, Bommineni, G.R, Tonge, P.J, Kisker, C. | | Deposit date: | 2013-05-15 | | Release date: | 2013-06-05 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Rational Optimization of Drug-Target Residence Time: Insights from Inhibitor Binding to the S. Aureus Fabi Enzyme-Product Complex.
Biochemistry, 52, 2013
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3S3U
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4BNG
 | | Crystal structure of S. aureus FabI in complex with NADP and 5-pentyl- 2-phenoxyphenol | | Descriptor: | 5-PENTYL-2-PHENOXYPHENOL, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADPH], GLUTAMIC ACID, ... | | Authors: | Schiebel, J, Chang, A, Bommineni, G.R, Tonge, P.J, Kisker, C. | | Deposit date: | 2013-05-15 | | Release date: | 2013-06-05 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Rational Optimization of Drug-Target Residence Time: Insights from Inhibitor Binding to the S. Aureus Fabi Enzyme-Product Complex.
Biochemistry, 52, 2013
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4BNN
 | | Crystal structure of S. aureus FabI in complex with NADP and 2-(2- cyanophenoxy)-5-hexylphenol | | Descriptor: | 2-(2-CYANOPHENOXY)-5-HEXYLPHENOL, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADPH], GLUTAMIC ACID, ... | | Authors: | Schiebel, J, Chang, A, Bommineni, G.R, Tonge, P.J, Kisker, C. | | Deposit date: | 2013-05-15 | | Release date: | 2013-06-05 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Rational Optimization of Drug-Target Residence Time: Insights from Inhibitor Binding to the S. Aureus Fabi Enzyme-Product Complex.
Biochemistry, 52, 2013
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2ZOX
 | | Crystal Structure of the Covalent Intermediate of Human Cytosolic beta-Glucosidase | | Descriptor: | 4-nitrophenyl alpha-D-glucopyranoside, Cytosolic beta-glucosidase, GLYCEROL, ... | | Authors: | Noguchi, J, Hayashi, Y, Baba, Y, Okino, N, Kimura, M, Ito, M, Kakuta, Y. | | Deposit date: | 2008-06-17 | | Release date: | 2008-09-30 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of the covalent intermediate of human cytosolic beta-glucosidase
Biochem.Biophys.Res.Commun., 374, 2008
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2AW0
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4V5M
 | | tRNA tranlocation on the 70S ribosome: the pre-translocational translocation intermediate TI(PRE) | | Descriptor: | 16S RRNA, 23S RIBOSOMAL RNA, 30S RIBOSOMAL PROTEIN S10, ... | | Authors: | Ratje, A.H, Loerke, J, Mikolajka, A, Bruenner, M, Hildebrand, P.W, Starosta, A.L, Doenhoefer, A, Connell, S.R, Fucini, P, Mielke, T, Whitford, P.C, Onuchic, J.N, Yu, Y, Sanbonmatsu, K.Y, Hartmann, R.K, Penczek, P.A, Wilson, D.N, Spahn, C.M.T. | | Deposit date: | 2010-10-01 | | Release date: | 2014-07-09 | | Last modified: | 2019-12-11 | | Method: | ELECTRON MICROSCOPY (7.8 Å) | | Cite: | Head Swivel on the Ribosome Facilitates Translocation by Means of Intra-Subunit tRNA Hybrid Sites.
Nature, 468, 2010
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1U0G
 | | Crystal structure of mouse phosphoglucose isomerase in complex with erythrose 4-phosphate | | Descriptor: | BETA-MERCAPTOETHANOL, ERYTHOSE-4-PHOSPHATE, GLYCEROL, ... | | Authors: | Solomons, J.T.G, Zimmerly, E.M, Burns, S, Krishnamurthy, N, Swan, M.K, Krings, S, Muirhead, H, Chirgwin, J, Davies, C. | | Deposit date: | 2004-07-13 | | Release date: | 2004-11-02 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The crystal structure of mouse phosphoglucose isomerase at 1.6A resolution and its complex with glucose 6-phosphate reveals the catalytic mechanism of sugar ring opening.
J.Mol.Biol., 342, 2004
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1U0F
 | | Crystal structure of mouse phosphoglucose isomerase in complex with glucose 6-phosphate | | Descriptor: | 6-O-phosphono-alpha-D-glucopyranose, BETA-MERCAPTOETHANOL, GLUCOSE-6-PHOSPHATE, ... | | Authors: | Solomons, J.T.G, Zimmerly, E.M, Burns, S, Krishnamurthy, N, Swan, M.K, Krings, S, Muirhead, H, Chirgwin, J, Davies, C. | | Deposit date: | 2004-07-13 | | Release date: | 2004-11-02 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | The crystal structure of mouse phosphoglucose isomerase at 1.6A resolution and its complex with glucose 6-phosphate reveals the catalytic mechanism of sugar ring opening.
J.Mol.Biol., 342, 2004
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1U0E
 | | Crystal structure of mouse phosphoglucose isomerase | | Descriptor: | BETA-MERCAPTOETHANOL, GLYCEROL, Glucose-6-phosphate isomerase, ... | | Authors: | Solomons, J.T.G, Zimmerly, E.M, Burns, S, Krishnamurthy, N, Swan, M.K, Krings, S, Muirhead, H, Chirgwin, J, Davies, C. | | Deposit date: | 2004-07-13 | | Release date: | 2004-11-02 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | The crystal structure of mouse phosphoglucose isomerase at 1.6A resolution and its complex with glucose 6-phosphate reveals the catalytic mechanism of sugar ring opening.
J.Mol.Biol., 342, 2004
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1U11
 | | PurE (N5-carboxyaminoimidazole Ribonucleotide Mutase) from the acidophile Acetobacter aceti | | Descriptor: | CITRIC ACID, PurE (N5-carboxyaminoimidazole Ribonucleotide Mutase) | | Authors: | Settembre, E.C, Chittuluru, J.R, Mill, C.P, Kappock, T.J, Ealick, S.E. | | Deposit date: | 2004-07-14 | | Release date: | 2004-09-28 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Acidophilic adaptations in the structure of Acetobacter aceti N5-carboxyaminoimidazole ribonucleotide mutase (PurE).
Acta Crystallogr.,Sect.D, 60, 2004
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6YUR
 | | Crystal structure of S. aureus FabI inhibited by SKTS1 | | Descriptor: | 6-[4-(4-hexyl-2-oxidanyl-phenoxy)phenoxy]pyridin-2-ol, Enoyl-[acyl-carrier-protein] reductase [NADPH], NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Weinrich, J.D, Eltschkner, S, Schiebel, J, Kehrein, J, Le, T.A, Davoodi, S, Merget, B, Tonge, P.J, Engels, B, Sotriffer, C.A, Kisker, C. | | Deposit date: | 2020-04-27 | | Release date: | 2021-03-24 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | A Long Residence Time Enoyl-Reductase Inhibitor Explores an Extended Binding Region with Isoenzyme-Dependent Tautomer Adaptation and Differential Substrate-Binding Loop Closure.
Acs Infect Dis., 7, 2021
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6YUU
 | | Crystal structure of M. tuberculosis InhA inhibited by SKTS1 | | Descriptor: | 6-[4-(4-hexyl-2-oxidanyl-phenoxy)phenoxy]pyridin-2-ol, CHLORIDE ION, Enoyl-[acyl-carrier-protein] reductase [NADH], ... | | Authors: | Eltschkner, S, Schiebel, J, Kehrein, J, Le, T.A, Davoodi, S, Merget, B, Weinrich, J.D, Tonge, P.J, Engels, B, Sotriffer, C.A, Kisker, C. | | Deposit date: | 2020-04-27 | | Release date: | 2021-03-24 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | A Long Residence Time Enoyl-Reductase Inhibitor Explores an Extended Binding Region with Isoenzyme-Dependent Tautomer Adaptation and Differential Substrate-Binding Loop Closure.
Acs Infect Dis., 7, 2021
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1TNT
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1TNS
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4UWM
 | | Type II Baeyer-Villiger monooxygenase.The oxygenating constituent of 3,6-diketocamphane monooxygenase from CAM plasmid of Pseudomonas putida in complex with FMN. | | Descriptor: | 3,6-DIKETOCAMPHANE 1,6 MONOOXYGENASE, DI(HYDROXYETHYL)ETHER, FLAVIN MONONUCLEOTIDE, ... | | Authors: | Isupov, M.N, Schroeder, E, Gibson, R.P, Beecher, J, Donadio, G, Saneei, V, Dcunha, S, McGhie, E.J, Sayer, C, Davenport, C.F, Lau, P.C, Hasegawa, Y, Iwaki, H, Kadow, M, Loschinski, K, Bornscheuer, U.T, Bourenkov, G, Littlechild, J.A. | | Deposit date: | 2014-08-12 | | Release date: | 2015-08-26 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The Oxygenating Constituent of 3,6-Diketocamphane Monooxygenase from the Cam Plasmid of Pseudomonas Putida: The First Crystal Structure of a Type II Baeyer-Villiger Monooxygenase.
Acta Crystallogr.,Sect.D, 71, 2015
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6T94
 | | NAD+-dependent fungal formate dehydrogenase from Chaetomium thermophilum: A complex of N120C mutant protein with the reduced form of the cofactor NADH. | | Descriptor: | 1,2-ETHANEDIOL, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Isupov, M.N, Yelmazer, B, De Rose, S.A, Littlechild, J.A. | | Deposit date: | 2019-10-25 | | Release date: | 2020-11-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | Structural insights into the NAD + -dependent formate dehydrogenase mechanism revealed from the NADH complex and the formate NAD + ternary complex of the Chaetomium thermophilum enzyme.
J.Struct.Biol., 212, 2020
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6T8Y
 | | NAD+-dependent fungal formate dehydrogenase from Chaetomium thermophilum: A complex with the reduced form of the cofactor NADH and the substrate formate at a secondary site. | | Descriptor: | 1,2-ETHANEDIOL, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Isupov, M.N, Yelmazer, B, De Rose, S.A, Littlechild, J.A. | | Deposit date: | 2019-10-25 | | Release date: | 2020-11-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.26 Å) | | Cite: | Structural insights into the NAD + -dependent formate dehydrogenase mechanism revealed from the NADH complex and the formate NAD + ternary complex of the Chaetomium thermophilum enzyme.
J.Struct.Biol., 212, 2020
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8AGN
 | | Cyclohexane epoxide low pH soak of epoxide hydrolase from metagenomic source ch65 | | Descriptor: | (1R,6S)-7-oxabicyclo[4.1.0]heptane, 1,2-ETHANEDIOL, Alpha/beta epoxide hydrolase, ... | | Authors: | Isupov, M.N, De Rose, S.A, Mitchell, D, Littlechild, J.A. | | Deposit date: | 2022-07-20 | | Release date: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.957 Å) | | Cite: | Complexes of epoxide hydrolase from metagenomic source ch65
To Be Published
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8AGP
 | | Halogenated product of limonene epoxide turnover by epoxide hydrolase from metagenomic source ch65 | | Descriptor: | (1~{S},2~{S},4~{R})-2-chloranyl-1-methyl-4-prop-1-en-2-yl-cyclohexan-1-ol, 1,2-ETHANEDIOL, Alpha/beta epoxide hydrolase, ... | | Authors: | Isupov, M.N, De Rose, S.A, Mitchell, D, Littlechild, J.A. | | Deposit date: | 2022-07-20 | | Release date: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | Complexes of epoxide hydrolase from metagenomic source ch65
To Be Published
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8AGM
 | | Limonene epoxide low pH soak of epoxide hydrolase from metagenomic source ch65 | | Descriptor: | 1,2-ETHANEDIOL, Alpha/beta epoxide hydrolase, CHLORIDE ION, ... | | Authors: | Isupov, M.N, De Rose, S.A, Mitchell, D, Littlechild, J.A. | | Deposit date: | 2022-07-20 | | Release date: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.966 Å) | | Cite: | Complexes of epoxide hydrolase from metagenomic source ch65
To Be Published
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6ZG6
 | | COPII on membranes, outer coat vertex | | Descriptor: | Protein transport protein SEC13, Protein transport protein SEC31 | | Authors: | Zanetti, G, Hutchings, J. | | Deposit date: | 2020-06-18 | | Release date: | 2021-02-17 | | Last modified: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (12 Å) | | Cite: | Structure of the complete, membrane-assembled COPII coat reveals a complex interaction network.
Nat Commun, 12, 2021
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6ZGA
 | | COPII on membranes, inner coat | | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, PRO-PRO-PRO, ... | | Authors: | Zanetti, G, Hutchings, J, Cheung, A.C.M. | | Deposit date: | 2020-06-18 | | Release date: | 2021-02-17 | | Last modified: | 2021-04-14 | | Method: | ELECTRON MICROSCOPY (4.6 Å) | | Cite: | Structure of the complete, membrane-assembled COPII coat reveals a complex interaction network.
Nat Commun, 12, 2021
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5VTD
 | | Crystal Structure of the Co-bound Human Heavy-Chain Ferritin variant 122H-delta C-star | | Descriptor: | CALCIUM ION, CHLORIDE ION, COBALT (II) ION, ... | | Authors: | Bailey, J.B, Zhang, L, Chiong, J.A, Tezcan, F.A. | | Deposit date: | 2017-05-16 | | Release date: | 2017-06-21 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Synthetic Modularity of Protein-Metal-Organic Frameworks.
J. Am. Chem. Soc., 139, 2017
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1AXG
 | | CRYSTAL STRUCTURE OF THE VAL203->ALA MUTANT OF LIVER ALCOHOL DEHYDROGENASE COMPLEXED WITH COFACTOR NAD AND INHIBITOR TRIFLUOROETHANOL SOLVED TO 2.5 ANGSTROM RESOLUTION | | Descriptor: | ALCOHOL DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, TRIFLUOROETHANOL, ... | | Authors: | Colby, T.D, Chin, J.K, Bahnson, B.J, Goldstein, B.M, Klinman, J.P. | | Deposit date: | 1997-10-15 | | Release date: | 1998-04-15 | | Last modified: | 2023-08-02 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | A link between protein structure and enzyme catalyzed hydrogen tunneling.
Proc.Natl.Acad.Sci.USA, 94, 1997
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