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7MES
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BU of 7mes by Molmil
Structure of ALDH4A1 complexed with trans-4-Hydroxy-D-proline
Descriptor: (4S)-4-hydroxy-D-proline, DI(HYDROXYETHYL)ETHER, Delta-1-pyrroline-5-carboxylate dehydrogenase, ...
Authors:Bogner, A.N, Stiers, K.M, Tanner, J.J.
Deposit date:2021-04-07
Release date:2021-06-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:Structural basis for the stereospecific inhibition of the dual proline/hydroxyproline catabolic enzyme ALDH4A1 by trans-4-hydroxy-L-proline.
Protein Sci., 30, 2021
7MER
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BU of 7mer by Molmil
Structure of ALDH4A1 complexed with trans-4-Hydroxy-L-proline
Descriptor: 4-HYDROXYPROLINE, DI(HYDROXYETHYL)ETHER, Delta-1-pyrroline-5-carboxylate dehydrogenase, ...
Authors:Bogner, A.N, Stiers, K.M, Tanner, J.J.
Deposit date:2021-04-07
Release date:2021-06-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Structural basis for the stereospecific inhibition of the dual proline/hydroxyproline catabolic enzyme ALDH4A1 by trans-4-hydroxy-L-proline.
Protein Sci., 30, 2021
8DKQ
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BU of 8dkq by Molmil
Minimal PutA proline dehydrogenase domain (design #2) complexed with 2-(Furan-2-yl)acetic acid
Descriptor: (furan-2-yl)acetic acid, Bifunctional protein PutA, DI(HYDROXYETHYL)ETHER, ...
Authors:Tanner, J.J, Bogner, A.N.
Deposit date:2022-07-05
Release date:2022-12-14
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Structure-based engineering of minimal proline dehydrogenase domains for inhibitor discovery.
Protein Eng.Des.Sel., 35, 2022
8DKO
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BU of 8dko by Molmil
Minimal PutA proline dehydrogenase domain (design #1) complexed with S-(-)-tetrahydro-2-furoic acid
Descriptor: Bifunctional protein PutA, FLAVIN-ADENINE DINUCLEOTIDE, TETRAHYDROFURAN-2-CARBOXYLIC ACID
Authors:Tanner, J.J, Bogner, A.N.
Deposit date:2022-07-05
Release date:2022-12-14
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure-based engineering of minimal proline dehydrogenase domains for inhibitor discovery.
Protein Eng.Des.Sel., 35, 2022
8DKP
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BU of 8dkp by Molmil
Minimal PutA proline dehydrogenase domain (design #2) complexed with S-(-)-tetrahydro-2-furoic acid
Descriptor: Bifunctional protein PutA, FLAVIN-ADENINE DINUCLEOTIDE, TETRAHYDROFURAN-2-CARBOXYLIC ACID
Authors:Tanner, J.J, Bogner, A.N.
Deposit date:2022-07-05
Release date:2022-12-14
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.23 Å)
Cite:Structure-based engineering of minimal proline dehydrogenase domains for inhibitor discovery.
Protein Eng.Des.Sel., 35, 2022
7SQN
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BU of 7sqn by Molmil
Structure of the E. coli PutA proline dehydrogenase domain (residues 86-630) complexed with (2S)-oxetane-2-carboxylic acid
Descriptor: (2S)-oxetane-2-carboxylic acid, Bifunctional protein PutA, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Tanner, J.J, Bogner, A.N.
Deposit date:2021-11-05
Release date:2022-01-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structure-affinity relationships of reversible proline analog inhibitors targeting proline dehydrogenase.
Org.Biomol.Chem., 20, 2022
7MWT
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BU of 7mwt by Molmil
Structure of the E. coli PutA proline dehydrogenase domain (residues 86-630) complexed with 1,1-Cyclobutanedicarboxylate
Descriptor: Bifunctional protein PutA, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION, ...
Authors:Tanner, J.J, Bogner, A.N.
Deposit date:2021-05-17
Release date:2022-01-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Structure-affinity relationships of reversible proline analog inhibitors targeting proline dehydrogenase.
Org.Biomol.Chem., 20, 2022
7MWV
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BU of 7mwv by Molmil
Structure of the E. coli PutA proline dehydrogenase domain (residues 86-630) complexed with cyclopropanecarboxylic acid
Descriptor: Bifunctional protein PutA, FLAVIN-ADENINE DINUCLEOTIDE, PENTAETHYLENE GLYCOL, ...
Authors:Tanner, J.J, Bogner, A.N.
Deposit date:2021-05-17
Release date:2022-01-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Structure-affinity relationships of reversible proline analog inhibitors targeting proline dehydrogenase.
Org.Biomol.Chem., 20, 2022
7MWU
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BU of 7mwu by Molmil
Structure of the E. coli PutA proline dehydrogenase domain (residues 86-630) complexed with cyclobutanecarboxylic acid
Descriptor: Bifunctional protein PutA, FLAVIN-ADENINE DINUCLEOTIDE, PENTAETHYLENE GLYCOL, ...
Authors:Tanner, J.J, Bogner, A.N.
Deposit date:2021-05-17
Release date:2022-01-19
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Structure-affinity relationships of reversible proline analog inhibitors targeting proline dehydrogenase.
Org.Biomol.Chem., 20, 2022
7US3
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BU of 7us3 by Molmil
Structure of Putrescine N-hydroxylase Involved Complexed with NADP+
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Putrescine N-hydroxylase, ...
Authors:Tanner, J.J, Bogner, A.N.
Deposit date:2022-04-22
Release date:2022-11-30
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Kinetic and Structural Characterization of a Flavin-Dependent Putrescine N -Hydroxylase from Acinetobacter baumannii.
Biochemistry, 61, 2022
6XP3
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BU of 6xp3 by Molmil
Structure of human PYCR1 complexed with cyclopentanecarboxylic acid
Descriptor: Pyrroline-5-carboxylate reductase 1, mitochondrial, SULFATE ION, ...
Authors:Tanner, J.J, Bogner, A.N.
Deposit date:2020-07-07
Release date:2020-11-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:In crystallo screening for proline analog inhibitors of the proline cycle enzyme PYCR1.
J.Biol.Chem., 295, 2020
8UPZ
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BU of 8upz by Molmil
Minimal PutA proline dehydrogenase domain (design #2) complexed with (Prop-2-ynylthio)acetic acid
Descriptor: (Prop-2-ynylthio)acetic acid, Bifunctional protein PutA, DI(HYDROXYETHYL)ETHER, ...
Authors:Tanner, J.J.
Deposit date:2023-10-23
Release date:2024-10-30
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Noncovalent Inhibition and Covalent Inactivation of Proline Dehydrogenase by Analogs of N -Propargylglycine.
Biochemistry, 2024
8UQ1
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BU of 8uq1 by Molmil
Minimal PutA proline dehydrogenase domain (design #2) complexed with (Allylthio)acetic acid
Descriptor: (Allylthio)acetic acid, Bifunctional protein PutA, DI(HYDROXYETHYL)ETHER, ...
Authors:Tanner, J.J.
Deposit date:2023-10-23
Release date:2024-10-30
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:Noncovalent Inhibition and Covalent Inactivation of Proline Dehydrogenase by Analogs of N -Propargylglycine.
Biochemistry, 2024
8UQ0
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BU of 8uq0 by Molmil
Minimal PutA proline dehydrogenase domain (design #2) complexed with 2-(Cyanomethylthio)acetic acid
Descriptor: 2-(Cyanomethylthio)acetic acid, Bifunctional protein PutA, DI(HYDROXYETHYL)ETHER, ...
Authors:Tanner, J.J.
Deposit date:2023-10-23
Release date:2024-10-30
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Noncovalent Inhibition and Covalent Inactivation of Proline Dehydrogenase by Analogs of N -Propargylglycine.
Biochemistry, 2024
9C8A
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BU of 9c8a by Molmil
Minimal PutA proline dehydrogenase domain (design #2) with the FAD N5 modified with propanal resulting from inactivation with N-allylglycine(replicate #1)
Descriptor: Bifunctional protein PutA, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Tanner, J.J.
Deposit date:2024-06-12
Release date:2024-10-30
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Noncovalent Inhibition and Covalent Inactivation of Proline Dehydrogenase by Analogs of N -Propargylglycine.
Biochemistry, 2024
9C8B
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BU of 9c8b by Molmil
Minimal PutA proline dehydrogenase domain (design #2) with the FAD N5 modified with propanal resulting from inactivation with N-allylglycine (replicate #2)
Descriptor: Bifunctional protein PutA, DI(HYDROXYETHYL)ETHER, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, ...
Authors:Tanner, J.J.
Deposit date:2024-06-12
Release date:2024-10-30
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Noncovalent Inhibition and Covalent Inactivation of Proline Dehydrogenase by Analogs of N -Propargylglycine.
Biochemistry, 2024
9C8C
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BU of 9c8c by Molmil
Structure of proline utilization A with the FAD covalently-modified by propanal resulting from inactivation with N-allylglycine
Descriptor: Bifunctional protein PutA, DI(HYDROXYETHYL)ETHER, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, ...
Authors:Tanner, J.J.
Deposit date:2024-06-12
Release date:2024-10-30
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Noncovalent Inhibition and Covalent Inactivation of Proline Dehydrogenase by Analogs of N -Propargylglycine.
Biochemistry, 2024
7MYB
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BU of 7myb by Molmil
Structure of proline utilization A with tetrahydrothiophene-2-carboxylate bound in the proline dehydrogenase active site
Descriptor: (2R)-thiolane-2-carboxylic acid, (2S)-thiolane-2-carboxylic acid, Bifunctional protein PutA, ...
Authors:Tanner, J.J, Campbell, A.C.
Deposit date:2021-05-20
Release date:2021-09-29
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Photoinduced Covalent Irreversible Inactivation of Proline Dehydrogenase by S-Heterocycles.
Acs Chem.Biol., 16, 2021
7MY9
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BU of 7my9 by Molmil
Structure of proline utilization A with 1,3-dithiolane-2-carboxylate bound in the proline dehydrogenase active site
Descriptor: 1,3-dithiolane-2-carboxylic acid, Bifunctional protein PutA, DI(HYDROXYETHYL)ETHER, ...
Authors:Tanner, J.J, Campbell, A.C.
Deposit date:2021-05-20
Release date:2021-09-29
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.628 Å)
Cite:Photoinduced Covalent Irreversible Inactivation of Proline Dehydrogenase by S-Heterocycles.
Acs Chem.Biol., 16, 2021
7MYA
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BU of 7mya by Molmil
Structure of proline utilization A with the FAD covalently-modified by 1,3-dithiolane
Descriptor: Bifunctional protein PutA, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ...
Authors:Tanner, J.J, Campbell, A.C.
Deposit date:2021-05-20
Release date:2021-09-29
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Photoinduced Covalent Irreversible Inactivation of Proline Dehydrogenase by S-Heterocycles.
Acs Chem.Biol., 16, 2021
7MYC
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BU of 7myc by Molmil
Structure of proline utilization A with the FAD covalently modified by tetrahydrothiophene
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Bifunctional protein PutA, DI(HYDROXYETHYL)ETHER, ...
Authors:Tanner, J.J, Campbell, A.C.
Deposit date:2021-05-20
Release date:2021-09-29
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Photoinduced Covalent Irreversible Inactivation of Proline Dehydrogenase by S-Heterocycles.
Acs Chem.Biol., 16, 2021
8TDC
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BU of 8tdc by Molmil
Structure of PYCR1 complexed with NADH and 1,3-dithiane-2-carboxylic acid
Descriptor: 1,3-dithiane-2-carboxylic acid, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Pyrroline-5-carboxylate reductase 1, ...
Authors:Tanner, J.J, Meeks, K.R.
Deposit date:2023-07-02
Release date:2024-07-03
Last modified:2024-09-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Screening a knowledge-based library of low molecular weight compounds against the proline biosynthetic enzyme 1-pyrroline-5-carboxylate 1 (PYCR1).
Protein Sci., 33, 2024
8TD9
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BU of 8td9 by Molmil
Structure of PYCR1 complexed with NADH and L-pipecolic acid
Descriptor: (2S)-piperidine-2-carboxylic acid, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Pyrroline-5-carboxylate reductase 1, ...
Authors:Tanner, J.J, Meeks, K.R.
Deposit date:2023-07-02
Release date:2024-07-03
Last modified:2024-09-18
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Screening a knowledge-based library of low molecular weight compounds against the proline biosynthetic enzyme 1-pyrroline-5-carboxylate 1 (PYCR1).
Protein Sci., 33, 2024
8TD3
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BU of 8td3 by Molmil
Structure of PYCR1 complexed with NADH and (S)-Tetrahydro-2H-pyran-2-carboxylic acid
Descriptor: (2S)-oxane-2-carboxylic acid, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, DI(HYDROXYETHYL)ETHER, ...
Authors:Tanner, J.J, Meeks, K.R.
Deposit date:2023-07-02
Release date:2024-07-03
Last modified:2024-09-18
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Screening a knowledge-based library of low molecular weight compounds against the proline biosynthetic enzyme 1-pyrroline-5-carboxylate 1 (PYCR1).
Protein Sci., 33, 2024
8TDB
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BU of 8tdb by Molmil
Structure of PYCR1 complexed with NADH and 1-hydroxyethane-1-sulfonate
Descriptor: (1R)-1-hydroxyethane-1-sulfonic acid, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Pyrroline-5-carboxylate reductase 1, ...
Authors:Tanner, J.J, Meeks, K.R.
Deposit date:2023-07-02
Release date:2024-07-03
Last modified:2024-09-18
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Screening a knowledge-based library of low molecular weight compounds against the proline biosynthetic enzyme 1-pyrroline-5-carboxylate 1 (PYCR1).
Protein Sci., 33, 2024

 

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数据于2024-10-30公开中

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