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7TDL
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BU of 7tdl by Molmil
M379A mutant tyrosine phenol-lyase complexed with 3-bromo-DL-phenylalanine
Descriptor: (4Z)-4-({[(1E)-2-(3-bromophenyl)-1-carboxyethylidene]azaniumyl}methylidene)-2-methyl-5-[(phosphonooxy)methyl]-1,4-dihydropyridin-3-olate, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Phillips, R.S.
Deposit date:2022-01-01
Release date:2022-06-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:M379A Mutant Tyrosine Phenol-lyase from Citrobacter freundii Has Altered Conformational Dynamics.
Chembiochem, 23, 2022
7TCS
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BU of 7tcs by Molmil
M379A mutant tyrosine phenol-lyase complexed with L-methionine
Descriptor: (4Z)-4-({[(1E)-1-carboxy-3-(methylsulfanyl)propylidene]azaniumyl}methylidene)-2-methyl-5-[(phosphonooxy)methyl]-1,4-dihydropyridin-3-olate, CESIUM ION, DIMETHYL SULFOXIDE, ...
Authors:Phillips, R.S.
Deposit date:2021-12-28
Release date:2022-06-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:M379A Mutant Tyrosine Phenol-lyase from Citrobacter freundii Has Altered Conformational Dynamics.
Chembiochem, 23, 2022
6XRH
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BU of 6xrh by Molmil
Salmonella typhimurium tryptophan synthase complexed with oxindolyl-L-alanine and D-glycerol-3-phosphate
Descriptor: (E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-3-[(3S)-2-oxo-2,3-dihydro-1H-indol-3-yl]-L-alanine, 4-[(E)-({1-carboxy-2-[(3S)-2-oxo-2,3-dihydro-1H-indol-3-yl]ethan-1-id-1-yl}iminio)methyl]-2-methyl-5-[(phosphonooxy)methyl]pyridin-1-ium-3-olate, DIMETHYL SULFOXIDE, ...
Authors:Phillips, R.S.
Deposit date:2020-07-12
Release date:2021-02-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:Structural Basis of the Stereochemistry of Inhibition of Tryptophan Synthase by Tryptophan and Derivatives.
Biochemistry, 60, 2021
6XT0
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BU of 6xt0 by Molmil
Salmonella typhimurium tryptophan synthase complexed with dioxindolyl-L-alanine and D-glycerol-3-phosphate
Descriptor: 4-[(E)-({1-carboxy-2-[(3R)-3-hydroxy-2-oxo-2,3-dihydro-1H-indol-3-yl]ethan-1-id-1-yl}iminio)methyl]-2-methyl-5-[(phosphonooxy)methyl]pyridin-1-ium-3-olate, DIMETHYL SULFOXIDE, SN-GLYCEROL-1-PHOSPHATE, ...
Authors:Phillips, R.S.
Deposit date:2020-07-16
Release date:2021-02-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:Structural Basis of the Stereochemistry of Inhibition of Tryptophan Synthase by Tryptophan and Derivatives.
Biochemistry, 60, 2021
6XNC
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BU of 6xnc by Molmil
Salmonella typhimurium tryptophan synthase complexed with L-tryptophan and D-glycerol-3-phosphate
Descriptor: DIMETHYL SULFOXIDE, PYRIDOXAL-5'-PHOSPHATE, SN-GLYCEROL-1-PHOSPHATE, ...
Authors:Phillips, R.S.
Deposit date:2020-07-02
Release date:2021-02-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Structural Basis of the Stereochemistry of Inhibition of Tryptophan Synthase by Tryptophan and Derivatives.
Biochemistry, 60, 2021
6XOY
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BU of 6xoy by Molmil
Salmonella typhimurium tryptophan synthase complexed with D-tryptophan and D-glycerol-3-phosphate
Descriptor: (E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-D-tryptophan, DIMETHYL SULFOXIDE, SN-GLYCEROL-1-PHOSPHATE, ...
Authors:Phillips, R.S.
Deposit date:2020-07-07
Release date:2021-02-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Structural Basis of the Stereochemistry of Inhibition of Tryptophan Synthase by Tryptophan and Derivatives.
Biochemistry, 60, 2021
7LC0
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BU of 7lc0 by Molmil
Structure of D-Glucosaminate-6-phosphate Ammonia-lyase
Descriptor: ACETIC ACID, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Phillips, R.S.
Deposit date:2021-01-09
Release date:2021-06-09
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure and Mechanism of d-Glucosaminate-6-phosphate Ammonia-lyase: A Novel Octameric Assembly for a Pyridoxal 5'-Phosphate-Dependent Enzyme, and Unprecedented Stereochemical Inversion in the Elimination Reaction of a d-Amino Acid.
Biochemistry, 60, 2021
7LCE
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BU of 7lce by Molmil
Structure of D-Glucosaminate-6-phosphate Ammonia-lyase
Descriptor: CALCIUM ION, D-glucosaminate-6-phosphate ammonia lyase, DIMETHYL SULFOXIDE
Authors:Phillips, R.S.
Deposit date:2021-01-10
Release date:2021-06-09
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:Structure and Mechanism of d-Glucosaminate-6-phosphate Ammonia-lyase: A Novel Octameric Assembly for a Pyridoxal 5'-Phosphate-Dependent Enzyme, and Unprecedented Stereochemical Inversion in the Elimination Reaction of a d-Amino Acid.
Biochemistry, 60, 2021
7UX4
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BU of 7ux4 by Molmil
Crystallographic snapshots of ternary complexes of thermophilic secondary alcohol dehydrogenase from Thermoanaerobacter pseudoethanolicus reveal the dynamics of ligand exchange and the proton relay network.
Descriptor: (1S,3S)-3-methylcyclohexan-1-ol, CHLORIDE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Phillips, R.S, Dinh, T.
Deposit date:2022-05-04
Release date:2022-05-18
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Crystallographic snapshots of ternary complexes of thermophilic secondary alcohol dehydrogenase from Thermoanaerobacter pseudoethanolicus reveal the dynamics of ligand exchange and the proton relay network.
Proteins, 90, 2022
2YCT
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BU of 2yct by Molmil
Tyrosine phenol-lyase from Citrobacter freundii in complex with pyridine N-oxide and the quinonoid intermediate formed with L-alanine
Descriptor: (2E)-2-{[(Z)-{3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4(1H)-YLIDENE}METHYL]IMINO}PROPANOIC ACID, 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, PHOSPHATE ION, ...
Authors:Milic, D, Demidkina, T.V, Faleev, N.G, Phillips, R.S, Matkovic-Calogovic, D, Antson, A.A.
Deposit date:2011-03-16
Release date:2011-09-14
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Crystallographic Snapshots of Tyrosine Phenol-Lyase Show that Substrate Strain Plays a Role in C-C Bond Cleavage
J.Am.Chem.Soc., 133, 2011
2YCP
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BU of 2ycp by Molmil
F448H mutant of tyrosine phenol-lyase from Citrobacter freundii in complex with quinonoid intermediate formed with 3-fluoro-L-tyrosine
Descriptor: (2E)-3-(3-fluoro-4-hydroxyphenyl)-2-{[(Z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4(1H)-ylidene}methyl]imino}propanoic acid, 1,2-ETHANEDIOL, 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, ...
Authors:Milic, D, Demidkina, T.V, Faleev, N.G, Phillips, R.S, Matkovic-Calogovic, D, Antson, A.A.
Deposit date:2011-03-16
Release date:2011-09-14
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystallographic Snapshots of Tyrosine Phenol-Lyase Show that Substrate Strain Plays a Role in C-C Bond Cleavage
J.Am.Chem.Soc., 133, 2011
2YCN
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BU of 2ycn by Molmil
Y71F mutant of tyrosine phenol-lyase from Citrobacter freundii in complex with quinonoid intermediate formed with 3-fluoro-L-tyrosine
Descriptor: (2E)-3-(3-fluoro-4-hydroxyphenyl)-2-{[(Z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4(1H)-ylidene}methyl]imino}propanoic acid, DI(HYDROXYETHYL)ETHER, POTASSIUM ION, ...
Authors:Milic, D, Demidkina, T.V, Faleev, N.G, Phillips, R.S, Matkovic-Calogovic, D, Antson, A.A.
Deposit date:2011-03-16
Release date:2011-09-14
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Crystallographic Snapshots of Tyrosine Phenol-Lyase Show that Substrate Strain Plays a Role in C-C Bond Cleavage
J.Am.Chem.Soc., 133, 2011
3FDD
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BU of 3fdd by Molmil
The Crystal Structure of the Pseudomonas dacunhae Aspartate-Beta-Decarboxylase Reveals a Novel Oligomeric Assembly for a Pyridoxal-5-Phosphate Dependent Enzyme
Descriptor: ACETATE ION, CHLORIDE ION, L-aspartate-beta-decarboxylase, ...
Authors:Lima, S, Sundararaju, B, Huang, C, Khristoforov, R, Momany, C, Phillips, R.S.
Deposit date:2008-11-25
Release date:2009-03-17
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:The crystal structure of the Pseudomonas dacunhae aspartate-beta-decarboxylase dodecamer reveals an unknown oligomeric assembly for a pyridoxal-5'-phosphate-dependent enzyme.
J.Mol.Biol., 388, 2009
3E9K
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BU of 3e9k by Molmil
Crystal structure of Homo sapiens kynureninase-3-hydroxyhippuric acid inhibitor complex
Descriptor: 3-Hydroxyhippuric acid, Kynureninase, PYRIDOXAL-5'-PHOSPHATE
Authors:Lima, S, Kumar, S, Gawandi, V, Momany, C, Phillips, R.S.
Deposit date:2008-08-22
Release date:2008-12-09
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of the Homo sapiens kynureninase-3-hydroxyhippuric acid inhibitor complex: insights into the molecular basis of kynureninase substrate specificity.
J.Med.Chem., 52, 2009
2HZP
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BU of 2hzp by Molmil
Crystal Structure of Homo Sapiens Kynureninase
Descriptor: Kynureninase, PYRIDOXAL-5'-PHOSPHATE
Authors:Lima, S, Khristoforov, R, Momany, C, Phillips, R.S.
Deposit date:2006-08-09
Release date:2006-11-07
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of Homo sapiens Kynureninase.
Biochemistry, 46, 2007
1QZ9
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BU of 1qz9 by Molmil
The Three Dimensional Structure of Kynureninase from Pseudomonas fluorescens
Descriptor: 3,6,9,12,15-PENTAOXAHEPTADECANE, CHLORIDE ION, KYNURENINASE, ...
Authors:Momany, C, Levdikov, V, Blagova, L, Lima, S, Phillips, R.S.
Deposit date:2003-09-16
Release date:2004-01-20
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Three-Dimensional Structure of Kynureninase from Pseudomonas fluorescens.
Biochemistry, 43, 2004
7UTC
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BU of 7utc by Molmil
Crystal structure of secondary alcohol dehydrogenases from the Thermoanaerobacter ethanolicus with NADP and transition-state analogue inhibitor DMSO
Descriptor: DIMETHYL SULFOXIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Secondary-alcohol dehydrogenase, ...
Authors:Dinh, T, Phillips, R.
Deposit date:2022-04-26
Release date:2022-05-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystallographic snapshots of ternary complexes of thermophilic secondary alcohol dehydrogenase from Thermoanaerobacter pseudoethanolicus reveal the dynamics of ligand exchange and the proton relay network.
Proteins, 90, 2022
7UUT
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BU of 7uut by Molmil
Ternary complex crystal structure of secondary alcohol dehydrogenases from the Thermoanaerobacter ethanolicus mutants C295A and I86A provides better understanding of catalytic mechanism
Descriptor: (2R)-pentan-2-ol, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, POTASSIUM ION, ...
Authors:Dinh, T, Phillips, R, Rahn, K.
Deposit date:2022-04-28
Release date:2022-05-11
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Crystallographic snapshots of ternary complexes of thermophilic secondary alcohol dehydrogenase from Thermoanaerobacter pseudoethanolicus reveal the dynamics of ligand exchange and the proton relay network.
Proteins, 90, 2022
9BOH
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BU of 9boh by Molmil
Room-temperature X-ray structure of Thermus Thermophilus serine hydroxymethyltransferase (SHMT) with PLP-glycine external aldimine and 5-formyltetrahydrofolate (folinic acid)
Descriptor: (E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)glycine, N-[4-({[(6S)-2-amino-5-formyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-L-glutamic acid, SULFATE ION, ...
Authors:Drago, V.N, Kovalevsky, A.
Deposit date:2024-05-03
Release date:2024-08-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Universality of critical active site glutamate as an acid-base catalyst in serine hydroxymethyltransferase function.
Chem Sci, 15, 2024
9BOX
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BU of 9box by Molmil
Room-temperature X-ray structure of human mitochondrial serine hydroxymethyltransferase (hSHMT2) with PLP-glycine external aldimine and 5-formyltetrahydrofolate (folinic acid)
Descriptor: (E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)glycine, N-[4-({[(6S)-2-amino-5-formyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-L-glutamic acid, Serine hydroxymethyltransferase, ...
Authors:Drago, V.N, Kovalevsky, A.
Deposit date:2024-05-06
Release date:2024-08-28
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Universality of critical active site glutamate as an acid-base catalyst in serine hydroxymethyltransferase function.
Chem Sci, 15, 2024
9BOW
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BU of 9bow by Molmil
X-ray structure of Thermus thermophilus serine hydroxymethyltransferase with PLP-L-Ser external aldimine and 5-formyltetrahydrofolate (folinic acid)
Descriptor: (E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-serine, N-[4-({[(6S)-2-amino-5-formyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-L-glutamic acid, SERINE, ...
Authors:Drago, V.N, Kovalevsky, A.
Deposit date:2024-05-06
Release date:2024-08-28
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Universality of critical active site glutamate as an acid-base catalyst in serine hydroxymethyltransferase function.
Chem Sci, 15, 2024
9BPE
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BU of 9bpe by Molmil
Joint X-ray/neutron structure of Thermus thermophilus serine hydroxymethyltransferase (TthSHMT) in internal aldimine state and folinic acid bound
Descriptor: ACETATE ION, N-[4-({[(6S)-2-amino-5-formyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-L-glutamic acid, SULFATE ION, ...
Authors:Drago, V.N, Kovalevsky, A.
Deposit date:2024-05-07
Release date:2024-08-28
Method:NEUTRON DIFFRACTION (2.3 Å), X-RAY DIFFRACTION
Cite:Universality of critical active site glutamate as an acid-base catalyst in serine hydroxymethyltransferase function.
Chem Sci, 15, 2024
5W4X
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BU of 5w4x by Molmil
Truncated hUGDH
Descriptor: 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, UDP-glucose 6-dehydrogenase
Authors:Sennett, N.C, Custer, G.S, Wood, Z.A.
Deposit date:2017-06-13
Release date:2017-07-19
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:The entropic force generated by intrinsically disordered segments tunes protein function.
Nature, 563, 2018
5VR8
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BU of 5vr8 by Molmil
Human UDP-Glucose Dehydrogenase with UDP-Xylose Bound to the Co-enzyme Site
Descriptor: ADENOSINE-5'-DIPHOSPHATE, UDP-glucose 6-dehydrogenase, URIDINE-5'-DIPHOSPHATE-XYLOPYRANOSE
Authors:Kadirvelraj, R, Beattie, N.R, Wood, Z.A.
Deposit date:2017-05-10
Release date:2017-07-19
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.999 Å)
Cite:The entropic force generated by intrinsically disordered segments tunes protein function.
Nature, 563, 2018
8SSJ
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BU of 8ssj by Molmil
Room-temperature X-ray structure of human mitochondrial serine hydroxymethyltransferase (hSHMT2)
Descriptor: CHLORIDE ION, Serine hydroxymethyltransferase, mitochondrial
Authors:Drago, V.N, Kovalevsky, A.
Deposit date:2023-05-08
Release date:2023-08-16
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Revealing protonation states and tracking substrate in serine hydroxymethyltransferase with room-temperature X-ray and neutron crystallography.
Commun Chem, 6, 2023

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