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PDB: 1098 results

7LKL
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BU of 7lkl by Molmil
The internal aldimine form of the wild-type Salmonella typhimurium Tryptophan Synthase in complex with inhibitor N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) at the enzyme alpha-site, cesium ion at the metal coordination site and the product L-tryptophan at the enzyme beta-site at 1.05 Angstrom resolution. One of the beta-Q114 rotamer conformations allows a hydrogen bond to form with the PLP oxygen at the position 3 in the ring
Descriptor: 1,2-ETHANEDIOL, 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE, CESIUM ION, ...
Authors:Hilario, E, Dunn, M.F, Mueller, L.J.
Deposit date:2021-02-02
Release date:2022-02-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:The internal aldimine form of the wild-type Salmonella typhimurium Tryptophan Synthase in complex with inhibitor N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) at the enzyme alpha-site, cesium ion at the metal coordination site and the product L-tryptophan at the enzyme beta-site at 1.05 Angstrom resolution. One of the beta-Q114 rotamer conformations allows a hydrogen bond to form with the PLP oxygen at the position 3 in the ring.
To be Published
7LGX
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The aminoacrylate form of mutant beta-K167T Salmonella typhimurium Tryptophan Synthase in complex with with inhibitor N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) at the enzyme alpha-site, benzimidazole (BZI) at the enzyme beta site and cesium ion at the metal coordination site at 1.80 Angstrom resolution
Descriptor: 1,2-ETHANEDIOL, 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE, 2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid, ...
Authors:Hilario, E, Dunn, M.F, Mueller, L.J.
Deposit date:2021-01-21
Release date:2022-01-26
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The aminoacrylate form of mutant beta-K167T Salmonella typhimurium Tryptophan Synthase in complex with with inhibitor N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) at the enzyme alpha-site, benzimidazole (BZI) at the enzyme beta site and cesium ion at the metal coordination site at 1.80 Angstrom resolution.
To be Published
7LPF
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BU of 7lpf by Molmil
The internal aldimine form of the wild-type Salmonella typhimurium Tryptophan Synthase in complex with inhibitor N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) at the enzyme alpha-site and sodium ion at the metal coordination site at 1.10 Angstrom resolution
Descriptor: 1,2-ETHANEDIOL, 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE, DI(HYDROXYETHYL)ETHER, ...
Authors:Hilario, E, Dunn, M.F, Mueller, L.J.
Deposit date:2021-02-11
Release date:2022-02-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:The internal aldimine form of the wild-type Salmonella typhimurium Tryptophan Synthase in complex with inhibitor N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) at the enzyme alpha-site and sodium ion at the metal coordination site at 1.10 Angstrom resolution
To be Published
7LTP
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BU of 7ltp by Molmil
The internal aldimine form of the wild-type Salmonella typhimurium Tryptophan Synthase in complex with inhibitor N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) at the enzyme alpha-site, cesium ion at the metal coordination site and the product L-tryptophan at the enzyme beta-site at 1.47 Angstrom resolution
Descriptor: 1,2-ETHANEDIOL, 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE, BICINE, ...
Authors:Hilario, E, Dunn, M.F, Mueller, L.J.
Deposit date:2021-02-19
Release date:2022-02-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:The internal aldimine form of the wild-type Salmonella typhimurium Tryptophan Synthase in complex with inhibitor N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) at the enzyme alpha-site, cesium ion at the metal coordination site and the product L-tryptophan at the enzyme beta-site at 1.47 Angstrom resolution.
To be Published
7LT4
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BU of 7lt4 by Molmil
The aminoacrylate form of the beta-K167T mutant Tryptophan Synthase at 1.80 Angstrom resolution in complex with N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) at the enzyme alpha-site and cesium ion at the metal coordination site
Descriptor: 1,2-ETHANEDIOL, 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE, 2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid, ...
Authors:Hilario, E, Dunn, M.F, Mueller, L.J.
Deposit date:2021-02-18
Release date:2022-02-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The aminoacrylate form of the beta-K167T mutant Tryptophan Synthase at 1.80 Angstrom resolution in complex with N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) at the enzyme alpha-site and cesium ion at the metal coordination site
To be Published
3PR2
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BU of 3pr2 by Molmil
Tryptophan synthase indoline quinonoid structure with F9 inhibitor in alpha site
Descriptor: (Z)-N-[(1E)-1-carboxy-2-(2,3-dihydro-1H-indol-1-yl)ethylidene]{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4(1H)-ylidene}methanaminium, 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE, CESIUM ION, ...
Authors:Lai, J, Niks, D, Wang, Y, Domratcheva, T, Barends, T.R.M, Schwarz, F, Olsen, R.A, Elliott, D.W, Fatmi, M.Q, Chang, C.A, Schlichting, I, Dunn, M.F, Mueller, L.J.
Deposit date:2010-11-29
Release date:2011-02-09
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:X-ray and NMR Crystallography in an Enzyme Active Site: The Indoline Quinonoid Intermediate in Tryptophan Synthase.
J.Am.Chem.Soc., 133, 2011
5HBZ
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BU of 5hbz by Molmil
Structure of EAV NSP11 K170A mutant at 3.10A
Descriptor: Non-structural protein 11
Authors:Zhang, M.F, Chen, Z.Z.
Deposit date:2016-01-04
Release date:2016-10-12
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural Biology of the Arterivirus nsp11 Endoribonucleases.
J. Virol., 91, 2017
7LV5
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BU of 7lv5 by Molmil
The internal aldimine form of the wild-type Salmonella typhimurium Tryptophan Synthase in complex with inhibitor N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) at the enzyme alpha-site, cesium ion at the metal coordination site and L-Histidine at the enzyme beta-site at 1.55 Angstrom resolution
Descriptor: 1,2-ETHANEDIOL, 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE, BICINE, ...
Authors:Hilario, E, Dunn, M.F, Mueller, L.J.
Deposit date:2021-02-23
Release date:2022-03-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:The internal aldimine form of the wild-type Salmonella typhimurium Tryptophan Synthase in complex with inhibitor N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) at the enzyme alpha-site, cesium ion at the metal coordination site and L-Histidine at the enzyme beta-site at 1.55 Angstrom resolution
To be Published
7LX1
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BU of 7lx1 by Molmil
The internal aldimine form of the wild-type Salmonella Typhimurium Tryptophan Synthase in complex with cesium ion at the metal coordination site at 1.61 Angstrom resolution
Descriptor: 1,2-ETHANEDIOL, CESIUM ION, CHLORIDE ION, ...
Authors:Hilario, E, Dunn, M.F, Mueller, L.J.
Deposit date:2021-03-02
Release date:2022-03-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:The internal aldimine form of the wild-type Salmonella Typhimurium Tryptophan Synthase in complex with cesium ion at the metal coordination site at 1.61 Angstrom resolution
To be Published
7LUT
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BU of 7lut by Molmil
The internal aldimine form of the wild-type Salmonella typhimurium Tryptophan Synthase in complex with cesium ion at the metal coordination site and the product L-tryptophan at the enzyme beta-site at 1.60 Angstrom resolution
Descriptor: 1,2-ETHANEDIOL, CESIUM ION, CHLORIDE ION, ...
Authors:Hilario, E, Dunn, M.F, Mueller, L.J.
Deposit date:2021-02-23
Release date:2022-03-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:The internal aldimine form of the wild-type Salmonella typhimurium Tryptophan Synthase in complex with cesium ion at the metal coordination site and the product L-tryptophan at the enzyme beta-site at 1.60 Angstrom resolution.
To be Published
5HF5
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BU of 5hf5 by Molmil
Crystal structure of human acetylcholinesterase in complex with paraoxon in the unaged state (predominant acyl loop conformation)
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Franklin, M.F, Rudolph, M.J, Ginter, C, Cassidy, M.S, Cheung, J.
Deposit date:2016-01-06
Release date:2016-07-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.152 Å)
Cite:Structures of paraoxon-inhibited human acetylcholinesterase reveal perturbations of the acyl loop and the dimer interface.
Proteins, 84, 2016
7LVX
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BU of 7lvx by Molmil
The internal aldimine form of the wild-type Salmonella Typhimurium Tryptophan Synthase in complex with N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) at the enzyme alpha-site and cesium ion at the metal coordination site at 1.55 Angstrom resolution
Descriptor: 1,2-ETHANEDIOL, 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE, CESIUM ION, ...
Authors:Hilario, E, Dunn, M.F, Mueller, L.J.
Deposit date:2021-02-26
Release date:2022-03-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:The internal aldimine form of the wild-type Salmonella Typhimurium Tryptophan Synthase in complex with N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) at the enzyme alpha-site and cesium ion at the metal coordination site at 1.55 Angstrom resolution.
To be Published
7LY8
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BU of 7ly8 by Molmil
The internal aldimine form of the wild-type Salmonella Typhimurium Tryptophan Synthase in complex with two molecules of N-(4'-trifluoromethoxybenzoyl)-2-amino-1-ethylphosphate (F6F) inhibitor at the enzyme alpha-site, a single F6F molecule at the enzyme beta-site, and sodium ion at the metal coordination site at 1.55 Angstrom resolution. One of the beta-Q114 rotamer conformations allows a hydrogen bond to form with the PLP oxygen at the position 3 in the ring
Descriptor: 1,2-ETHANEDIOL, 2-{[4-(TRIFLUOROMETHOXY)BENZOYL]AMINO}ETHYL DIHYDROGEN PHOSPHATE, CHLORIDE ION, ...
Authors:Hilario, E, Dunn, M.F, Mueller, L.J.
Deposit date:2021-03-06
Release date:2022-03-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:The internal aldimine form of the wild-type Salmonella Typhimurium Tryptophan Synthase in complex with two molecules of N-(4'-trifluoromethoxybenzoyl)-2-amino-1-ethylphosphate (F6F) inhibitor at the enzyme alpha-site, a single F6F molecule at the enzyme beta-site, and sodium ion at the metal coordination site at 1.55 Angstrom resolution. One of the beta-Q114 rotamer conformations allows a hydrogen bond to form with the PLP oxygen at the position 3 in the ring.
To be Published
5HF6
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Crystal structure of human acetylcholinesterase in complex with paraoxon in the aged state
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Franklin, M.F, Rudolph, M.J, Ginter, C, Cassidy, M.S, Cheung, J.
Deposit date:2016-01-06
Release date:2016-06-22
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structures of paraoxon-inhibited human acetylcholinesterase reveal perturbations of the acyl loop and the dimer interface.
Proteins, 84, 2016
7LTE
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BU of 7lte by Molmil
Structure of the alpha-N-methyltransferase (SonM) and RiPP precursor (SonA) heteromeric complex (with SAH)
Descriptor: LigA domain-containing protein, S-ADENOSYL-L-HOMOCYSTEINE, TP-methylase family protein
Authors:Miller, F.S, Crone, K.K, Jensen, M.R, Shaw, S, Harcombe, W.R, Elias, M, Freeman, M.F.
Deposit date:2021-02-19
Release date:2021-09-29
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Conformational rearrangements enable iterative backbone N-methylation in RiPP biosynthesis.
Nat Commun, 12, 2021
7LTR
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BU of 7ltr by Molmil
Structure of the heteromeric complex between the alpha-N-methyltransferase (SonM) and a truncated construct of the RiPP precursor (SonA) (with SAM)
Descriptor: GLYCEROL, LigA domain-containing protein, S-ADENOSYLMETHIONINE, ...
Authors:Miller, F.S, Crone, K.K, Jensen, M.R, Shaw, S, Harcombe, W.R, Elias, M, Freeman, M.F.
Deposit date:2021-02-19
Release date:2021-09-29
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Conformational rearrangements enable iterative backbone N-methylation in RiPP biosynthesis.
Nat Commun, 12, 2021
7LTC
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BU of 7ltc by Molmil
Structure of the alpha-N-methyltransferase (SonM) and RiPP precursor (SonA) heteromeric complex (no cofactor)
Descriptor: LigA domain-containing protein, TP-methylase family protein
Authors:Miller, F.S, Crone, K.K, Jensen, M.R, Shaw, S, Harcombe, W.R, Elias, M, Freeman, M.F.
Deposit date:2021-02-19
Release date:2021-09-29
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Conformational rearrangements enable iterative backbone N-methylation in RiPP biosynthesis.
Nat Commun, 12, 2021
7LTF
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BU of 7ltf by Molmil
Structure of the alpha-N-methyltransferase (SonM mutant Y58F) and RiPP precursor (SonA) heteromeric complex (no cofactor)
Descriptor: LigA domain-containing protein, TP-methylase family protein
Authors:Miller, F.S, Crone, K.K, Jensen, M.R, Shaw, S, Harcombe, W.R, Elias, M, Freeman, M.F.
Deposit date:2021-02-19
Release date:2021-09-29
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Conformational rearrangements enable iterative backbone N-methylation in RiPP biosynthesis.
Nat Commun, 12, 2021
7LTH
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BU of 7lth by Molmil
Structure of the alpha-N-methyltransferase (SonM mutant Y93F) and RiPP precursor (SonA) heteromeric complex (no cofactor)
Descriptor: LigA domain-containing protein, TP-methylase family protein
Authors:Miller, F.S, Crone, K.K, Jensen, M.R, Shaw, S, Harcombe, W.R, Elias, M, Freeman, M.F.
Deposit date:2021-02-19
Release date:2021-09-29
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Conformational rearrangements enable iterative backbone N-methylation in RiPP biosynthesis.
Nat Commun, 12, 2021
7LTS
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BU of 7lts by Molmil
Structure of the alpha-N-methyltransferase (SonM mutant R67A) and RiPP precursor (SonA) heteromeric complex (with SAH)
Descriptor: LigA domain-containing protein, S-ADENOSYL-L-HOMOCYSTEINE, TP-methylase family protein
Authors:Miller, F.S, Crone, K.K, Jensen, M.R, Shaw, S, Harcombe, W.R, Elias, M, Freeman, M.F.
Deposit date:2021-02-20
Release date:2021-09-29
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Conformational rearrangements enable iterative backbone N-methylation in RiPP biosynthesis.
Nat Commun, 12, 2021
3QVX
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BU of 3qvx by Molmil
L-myo-inositol 1-phosphate synthase from Archaeoglobus fulgidus mutant K367A
Descriptor: GLYCEROL, Myo-inositol-1-phosphate synthase (Ino1), NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Neelon, K, Roberts, M.F, Stec, B.
Deposit date:2011-02-26
Release date:2012-01-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of a trapped catalytic intermediate suggests that forced atomic proximity drives the catalysis of mIPS.
Biophys.J., 101, 2011
5HF9
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BU of 5hf9 by Molmil
Crystal structure of human acetylcholinesterase in complex with paraoxon and HI6
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Franklin, M.F, Rudolph, M.J, Ginter, C, Cassidy, M.S, Cheung, J.
Deposit date:2016-01-06
Release date:2016-06-22
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structures of paraoxon-inhibited human acetylcholinesterase reveal perturbations of the acyl loop and the dimer interface.
Proteins, 84, 2016
5HC1
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BU of 5hc1 by Molmil
Structure of EAV NSP11 H141A mutant at 3.10A
Descriptor: Non-structural protein 11
Authors:Zhang, M.F, Chen, Z.Z.
Deposit date:2016-01-04
Release date:2016-10-12
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural Biology of the Arterivirus nsp11 Endoribonucleases.
J. Virol., 91, 2017
8T1T
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BU of 8t1t by Molmil
Structure of the alpha-N-methyltransferase (SonM) and RiPP precursor (SonA with QSY deletion) heteromeric complex (bound to SAM)
Descriptor: Alpha-N-methyltransferase (SonM), RiPP precursor (SonA), S-ADENOSYLMETHIONINE, ...
Authors:Crone, K.K, Jomori, T, Miller, F.S, Gralnick, J, Elias, M, Freeman, M.F.
Deposit date:2023-06-03
Release date:2023-11-22
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:RiPP enzyme heterocomplex structure-guided discovery of a bacterial borosin alpha- N -methylated peptide natural product.
Rsc Chem Biol, 4, 2023
3QVS
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BU of 3qvs by Molmil
L-myo-inositol 1-phosphate synthase from Archaeoglobus fulgidus wild type
Descriptor: GLYCEROL, Myo-inositol-1-phosphate synthase (Ino1), NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Neelon, K, Roberts, M.F, Stec, B.
Deposit date:2011-02-25
Release date:2012-01-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of a trapped catalytic intermediate suggests that forced atomic proximity drives the catalysis of mIPS.
Biophys.J., 101, 2011

224201

数据于2024-08-28公开中

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