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PDB: 759 results

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
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
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
6U2X
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BU of 6u2x by Molmil
Structure of ALDH7A1 mutant E399G complexed with NAD
Descriptor: Alpha-aminoadipic semialdehyde dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Tanner, J.J, Korasick, D.A, Laciak, A.R.
Deposit date:2019-08-20
Release date:2019-11-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural analysis of pathogenic mutations targeting Glu427 of ALDH7A1, the hot spot residue of pyridoxine-dependent epilepsy.
J. Inherit. Metab. Dis., 43, 2020
8T8K
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BU of 8t8k by Molmil
Structure of Domain of Unknown Function 507 (DUF507) in Space Group C222(1)
Descriptor: DUF507 family protein, HEXANE-1,6-DIOL
Authors:Tanner, J.J, McKay, C.E.
Deposit date:2023-06-22
Release date:2023-08-30
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Crystal structure of domain of unknown function 507 (DUF507) reveals a new protein fold.
Sci Rep, 13, 2023
8T8L
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BU of 8t8l by Molmil
Structure of Domain of Unknown Function 507 (DUF507) in Space Group P3(2)21
Descriptor: DI(HYDROXYETHYL)ETHER, DUF507 family protein, SODIUM ION
Authors:Tanner, J.J, McKay, C.E.
Deposit date:2023-06-22
Release date:2023-08-30
Method:SOLUTION SCATTERING (1.9 Å), X-RAY DIFFRACTION
Cite:Crystal structure of domain of unknown function 507 (DUF507) reveals a new protein fold.
Sci Rep, 13, 2023
6QN6
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BU of 6qn6 by Molmil
Three dimensional structure of human carbonic anhydrase IX in complex with benzenesulfonamide
Descriptor: Carbonic anhydrase 9, ZINC ION, ~{N}-butyl-4-chloranyl-2-(2-phenylethylsulfanyl)-5-sulfamoyl-benzamide
Authors:Leitans, J, Tars, K.
Deposit date:2019-02-09
Release date:2020-02-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Halogenated and di-substituted benzenesulfonamides as selective inhibitors of carbonic anhydrase isoforms.
Eur.J.Med.Chem., 185, 2020
6QN5
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BU of 6qn5 by Molmil
Three dimensional structure of human carbonic anhydrase IX in complex with benzenesulfonamide
Descriptor: 4-chloranyl-~{N}-(3-oxidanylpropyl)-2-phenylsulfanyl-5-sulfamoyl-benzamide, Carbonic anhydrase 9, ZINC ION
Authors:Leitans, J, Tars, K.
Deposit date:2019-02-09
Release date:2020-02-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Halogenated and di-substituted benzenesulfonamides as selective inhibitors of carbonic anhydrase isoforms.
Eur.J.Med.Chem., 185, 2020
6TL5
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BU of 6tl5 by Molmil
Three dimensional structure of human carbonic anhydrase IX in complex with sulfonamide
Descriptor: 3,5-diphenylbenzenesulfonamide, Carbonic anhydrase 9, ZINC ION
Authors:Leitans, J, Tars, K.
Deposit date:2019-12-01
Release date:2020-12-16
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Isoform-Selective Enzyme Inhibitors by Exploring Pocket Size According to the Lock-and-Key Principle.
Biophys.J., 119, 2020
5FL6
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BU of 5fl6 by Molmil
Three dimensional structure of human carbonic anhydrase IX in complex with 5-(1-(4-Methylphenyl)-1H-1,2,3-triazol-4-yl)thiophene-2- sulfonamide
Descriptor: 5-[1-(4-methylphenyl)-1,2,3-triazol-4-yl]thiophene-2-sulfonamide, ACETIC ACID, CARBONIC ANHYDRASE IX, ...
Authors:Leitans, J, Tars, K, Zalubovskis, R.
Deposit date:2015-10-21
Release date:2015-11-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:An Efficient Expression and Crystallization System of the Cancer Asociated Carbonic Anhydrase Isoform Ix.
J.Med.Chem., 58, 2015
8OO8
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BU of 8oo8 by Molmil
Three-Dimensional Structure of Human Carbonic Anhydrase II in Complex with a Covalent Inhibitor
Descriptor: 3-(cyclooctylamino)-4-ethylsulfonyl-2,5,6-tris(fluoranyl)benzenesulfonamide, Carbonic anhydrase 2, ZINC ION
Authors:Leitans, J, Tars, K.
Deposit date:2023-04-04
Release date:2024-04-10
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Three-Dimensional Structure of Human Carbonic Anhydrase II in Complex with a Covalent Inhibitor
To Be Published
5FL4
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BU of 5fl4 by Molmil
Three dimensional structure of human carbonic anhydrase IX in complex with 5-(1-naphthalen-1-yl-1,2,3-triazol-4-yl)thiophene-2-sulfonamide
Descriptor: 5-(1-naphthalen-1-yl-1,2,3-triazol-4-yl)thiophene-2-sulfonamide, ACETIC ACID, CARBONIC ANHYDRASE 9, ...
Authors:Leitans, J, Tars, K, Zalubovskis, R.
Deposit date:2015-10-21
Release date:2015-11-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:An Efficient Expression and Crystallization System of the Cancer Asociated Carbonic Anhydrase Isoform Ix.
J.Med.Chem., 58, 2015
5UAW
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BU of 5uaw by Molmil
Structure of apo human PYCR-1 crystallized in space group P21212
Descriptor: Pyrroline-5-carboxylate reductase 1, mitochondrial, SULFATE ION
Authors:Tanner, J.J.
Deposit date:2016-12-20
Release date:2017-03-15
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Resolving the cofactor-binding site in the proline biosynthetic enzyme human pyrroline-5-carboxylate reductase 1.
J. Biol. Chem., 292, 2017
5UAT
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BU of 5uat by Molmil
Structure of human PYCR-1 complexed with NADPH
Descriptor: DI(HYDROXYETHYL)ETHER, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Pyrroline-5-carboxylate reductase 1, ...
Authors:Tanner, J.J.
Deposit date:2016-12-20
Release date:2017-03-15
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Resolving the cofactor-binding site in the proline biosynthetic enzyme human pyrroline-5-carboxylate reductase 1.
J. Biol. Chem., 292, 2017
4BNE
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BU of 4bne by Molmil
Pacsin2 Interacts with Membranes and Actin-Filaments
Descriptor: PROTEIN KINASE C AND CASEIN KINASE SUBSTRATE IN NEURONS PROTEIN 2, SULFATE ION, TRIETHYLENE GLYCOL
Authors:Kostan, J, Salzer, U, Orlova, A, Toeroe, I, Hodnik, V, Schreiner, C, Merilainen, J, Nikki, M, Virtanen, I, Lehto, V.-P, Anderluh, G, Egelman, E.H, Djinovic-Carugo, K.
Deposit date:2013-05-15
Release date:2014-05-14
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:Direct Interaction of Actin Filaments with F-Bar Protein Pacsin2.
Embo Rep., 15, 2014
5FL5
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BU of 5fl5 by Molmil
Three dimensional structure of human carbonic anhydrase IX in complex with 5-(1-(4-Methoxyphenyl)-1H-1,2,3-triazol-4-yl)thiophene-2- sulfonamide
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-[1-(4-methoxyphenyl)-1,2,3-triazol-4-yl]thiophene-2-sulfonamide, CARBONIC ANHYDRASE IX, ...
Authors:Leitans, J, Tars, K, Zalubovskis, R.
Deposit date:2015-10-21
Release date:2015-11-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:An Efficient Expression and Crystallization System of the Cancer Asociated Carbonic Anhydrase Isoform Ix.
J.Med.Chem., 58, 2015
5UAU
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BU of 5uau by Molmil
Structure of human PYCR-1 complexed with proline
Descriptor: PROLINE, Pyrroline-5-carboxylate reductase 1, mitochondrial, ...
Authors:Tanner, J.J.
Deposit date:2016-12-20
Release date:2017-03-15
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Resolving the cofactor-binding site in the proline biosynthetic enzyme human pyrroline-5-carboxylate reductase 1.
J. Biol. Chem., 292, 2017
5UAX
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BU of 5uax by Molmil
Structure of apo human PYCR-1 crystallized in space group C2
Descriptor: CHLORIDE ION, Pyrroline-5-carboxylate reductase 1, mitochondrial
Authors:Tanner, J.J.
Deposit date:2016-12-20
Release date:2017-03-15
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Resolving the cofactor-binding site in the proline biosynthetic enzyme human pyrroline-5-carboxylate reductase 1.
J. Biol. Chem., 292, 2017
5UAV
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BU of 5uav by Molmil
Structure of human PYCR-1 complexed with NADPH and L-tetrahydrofuroic acid
Descriptor: DI(HYDROXYETHYL)ETHER, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Pyrroline-5-carboxylate reductase 1, ...
Authors:Tanner, J.J.
Deposit date:2016-12-20
Release date:2017-03-15
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Resolving the cofactor-binding site in the proline biosynthetic enzyme human pyrroline-5-carboxylate reductase 1.
J. Biol. Chem., 292, 2017
6JO1
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BU of 6jo1 by Molmil
Structure of the CYP102A1 Haem Domain with N-(S)-Ibuprofenoyl-L-Phenylalanine
Descriptor: (2S)-2-[[(2S)-2-[4-(2-methylpropyl)phenyl]propanoyl]amino]-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, DIMETHYL SULFOXIDE, ...
Authors:Stanfield, J.K, Kasai, C, Sugimoto, H, Shiro, Y, Watanabe, Y, Shoji, O.
Deposit date:2019-03-19
Release date:2020-03-18
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystals in Minutes: Instant On-Site Microcrystallisation of Various Flavours of the CYP102A1 (P450BM3) Haem Domain.
Angew.Chem.Int.Ed.Engl., 59, 2020
6JS8
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BU of 6js8 by Molmil
Structure of the CYP102A1 Haem Domain with N-Dehydroabietoyl-L-Tryptophan
Descriptor: (2S)-2-[[(1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]carbonylamino]-3-(1H-indol-3-yl)propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, DIMETHYL SULFOXIDE, ...
Authors:Stanfield, J.K, Kasai, C, Sugimoto, H, Shiro, Y, Watanabe, Y, Shoji, O.
Deposit date:2019-04-07
Release date:2020-03-18
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:Crystals in Minutes: Instant On-Site Microcrystallisation of Various Flavours of the CYP102A1 (P450BM3) Haem Domain.
Angew.Chem.Int.Ed.Engl., 59, 2020
6K58
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BU of 6k58 by Molmil
Structure of the CYP102A1 Haem Domain with N-Enanthyl-L-Prolyl-L-Phenylalanine
Descriptor: (2S)-2-[[(2S)-1-heptylpyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, DIMETHYL SULFOXIDE, ...
Authors:Stanfield, J.K, Kasai, C, Sugimoto, H, Shiro, Y, Watanabe, Y, Shoji, O.
Deposit date:2019-05-28
Release date:2020-03-18
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:Crystals in Minutes: Instant On-Site Microcrystallisation of Various Flavours of the CYP102A1 (P450BM3) Haem Domain.
Angew.Chem.Int.Ed.Engl., 59, 2020
6JVC
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BU of 6jvc by Molmil
Structure of the Cobalt Protoporphyrin IX-Reconstituted CYP102A1 Haem Domain with N-Abietoyl-L-Tryptophan
Descriptor: (2S)-2-[[(1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-1-yl]carbonylamino]-3-( 1H-indol-3-yl)propanoic acid, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Bifunctional cytochrome P450/NADPH--P450 reductase, ...
Authors:Stanfield, J.K, Matsumoto, A, Kasai, C, Sugimoto, H, Shiro, Y, Watanabe, Y, Shoji, O.
Deposit date:2019-04-16
Release date:2020-03-18
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystals in Minutes: Instant On-Site Microcrystallisation of Various Flavours of the CYP102A1 (P450BM3) Haem Domain.
Angew.Chem.Int.Ed.Engl., 59, 2020
5KF6
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BU of 5kf6 by Molmil
Structure of proline utilization A from Sinorhizobium meliloti complexed with L-tetrahydrofuroic acid and NAD+ in space group P21
Descriptor: Bifunctional protein PutA, FLAVIN-ADENINE DINUCLEOTIDE, MAGNESIUM ION, ...
Authors:Tanner, J.J.
Deposit date:2016-06-12
Release date:2016-10-05
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structures of Proline Utilization A (PutA) Reveal the Fold and Functions of the Aldehyde Dehydrogenase Superfamily Domain of Unknown Function.
J.Biol.Chem., 291, 2016
6JZS
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BU of 6jzs by Molmil
Structure of the Manganese Protoporphyrin IX-Reconstituted CYP102A1 Haem Domain with N-Abietoyl-L-Tryptophan in complex with Pyridine
Descriptor: (2S)-2-[[(1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-1-yl]carbonylamino]-3-( 1H-indol-3-yl)propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, GLYCEROL, ...
Authors:Stanfield, J.K, Omura, K, Matsumoto, A, Kasai, C, Sugimoto, H, Shiro, Y, Watanabe, Y, Shoji, O.
Deposit date:2019-05-03
Release date:2020-03-18
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Crystals in Minutes: Instant On-Site Microcrystallisation of Various Flavours of the CYP102A1 (P450BM3) Haem Domain.
Angew.Chem.Int.Ed.Engl., 59, 2020

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