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PDB: 775 results
8Q1A
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BU of 8q1a by Molmil
The Crystal Structure of Human Carbonic Anhydrase IX in Complex with inhibitor
Descriptor: 1,1,3-tris(oxidanylidene)-2-pentyl-1,2-benzothiazole-6-sulfonamide, Carbonic anhydrase 9, GLYCEROL, ...
Authors:Leitans, J, Tars, K.
Deposit date:2023-07-31
Release date:2023-11-08
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structural Basis of Saccharin Derivative Inhibition of Carbonic Anhydrase IX.
Chemmedchem, 18, 2023
6TL6
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BU of 6tl6 by Molmil
Three dimensional structure of human carbonic anhydrase IX in complex with sulfonamide
Descriptor: Carbonic anhydrase 9, GLYCEROL, 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 (2.15 Å)
Cite:Isoform-Selective Enzyme Inhibitors by Exploring Pocket Size According to the Lock-and-Key Principle.
Biophys.J., 119, 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
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
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
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
6WPU
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BU of 6wpu by Molmil
Structure of S-allyl-L-cysteine S-oxygenase from Allium sativum
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Flavin-containing monooxygenase, SULFATE ION
Authors:Tanner, J.J, Campbell, A.C, Schuermann, J.P.
Deposit date:2020-04-27
Release date:2020-06-17
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.084 Å)
Cite:Structure and function of a flavin-dependent S-monooxygenase from garlic (Allium sativum).
J.Biol.Chem., 295, 2020
6X0H
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BU of 6x0h by Molmil
Structure of oxidized SidA ornithine hydroxylase with the FAD in the "out" conformation
Descriptor: ACETATE ION, CALCIUM ION, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Tanner, J.J, Campbell, A.C.
Deposit date:2020-05-15
Release date:2020-08-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.087 Å)
Cite:Trapping conformational states of a flavin-dependent N -monooxygenase in crystallo reveals protein and flavin dynamics.
J.Biol.Chem., 295, 2020
6X0J
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BU of 6x0j by Molmil
Structure of reduced SidA ornithine hydroxylase with the FAD "in" and complexed with NADP and L-ornithine
Descriptor: DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, L-ornithine, L-ornithine N(5)-monooxygenase, ...
Authors:Tanner, J.J, Campbell, A.C.
Deposit date:2020-05-15
Release date:2020-08-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.335 Å)
Cite:Trapping conformational states of a flavin-dependent N -monooxygenase in crystallo reveals protein and flavin dynamics.
J.Biol.Chem., 295, 2020
6X0I
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BU of 6x0i by Molmil
Structure of oxidized SidA ornithine hydroxylase with the FAD "in" and complexed with NADP
Descriptor: ACETATE ION, CALCIUM ION, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Tanner, J.J, Campbell, A.C.
Deposit date:2020-05-15
Release date:2020-08-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Trapping conformational states of a flavin-dependent N -monooxygenase in crystallo reveals protein and flavin dynamics.
J.Biol.Chem., 295, 2020
5KOX
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BU of 5kox by Molmil
Structure of rifampicin monooxygenase complexed with rifampicin
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Pentachlorophenol 4-monooxygenase, RIFAMPICIN
Authors:Tanner, J.J, Liu, L.-K.
Deposit date:2016-07-01
Release date:2016-09-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The Structure of the Antibiotic Deactivating, N-hydroxylating Rifampicin Monooxygenase.
J.Biol.Chem., 291, 2016
8TCV
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BU of 8tcv by Molmil
Structure of PYCR1 complexed with 4-bromobenzene-1,3-dicarboxylic acid
Descriptor: 4-bromobenzene-1,3-dicarboxylic acid, Pyrroline-5-carboxylate reductase 1, mitochondrial, ...
Authors:Tanner, J.J, Meeks, K.R.
Deposit date:2023-07-02
Release date:2024-03-06
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Novel Fragment Inhibitors of PYCR1 from Docking-Guided X-ray Crystallography.
J.Chem.Inf.Model., 64, 2024
8TCZ
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BU of 8tcz by Molmil
Structure of PYCR1 complexed with 2-(pyridin-2-yl)cyclopropane-1-carboxylic acid
Descriptor: (1S,2S)-2-(pyridin-2-yl)cyclopropane-1-carboxylic acid, Pyrroline-5-carboxylate reductase 1, mitochondrial, ...
Authors:Tanner, J.J, Meeks, K.R.
Deposit date:2023-07-02
Release date:2024-03-06
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Novel Fragment Inhibitors of PYCR1 from Docking-Guided X-ray Crystallography.
J.Chem.Inf.Model., 64, 2024
8TCW
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BU of 8tcw by Molmil
Structure of PYCR1 complexed with 2-methyl-3-(2-oxoimidazolidin-1-yl)benzoic acid
Descriptor: 2-methyl-3-(2-oxoimidazolidin-1-yl)benzoic acid, Pyrroline-5-carboxylate reductase 1, mitochondrial, ...
Authors:Tanner, J.J, Meeks, K.R.
Deposit date:2023-07-02
Release date:2024-03-06
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Novel Fragment Inhibitors of PYCR1 from Docking-Guided X-ray Crystallography.
J.Chem.Inf.Model., 64, 2024
6XP1
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BU of 6xp1 by Molmil
Structure of human PYCR1 complexed with L-thiazolidine-2-carboxylate
Descriptor: (2S)-1,3-thiazolidine-2-carboxylic acid, Pyrroline-5-carboxylate reductase 1, mitochondrial, ...
Authors:Tanner, J.J, Christensen, E.M.
Deposit date:2020-07-07
Release date:2020-11-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:In crystallo screening for proline analog inhibitors of the proline cycle enzyme PYCR1.
J.Biol.Chem., 295, 2020
8TCX
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BU of 8tcx by Molmil
Structure of PYCR1 complexed with 2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-carboxylic acid
Descriptor: 2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-carboxylic acid, Pyrroline-5-carboxylate reductase 1, mitochondrial, ...
Authors:Tanner, J.J, Meeks, K.R.
Deposit date:2023-07-02
Release date:2024-03-06
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Novel Fragment Inhibitors of PYCR1 from Docking-Guided X-ray Crystallography.
J.Chem.Inf.Model., 64, 2024
8TD0
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BU of 8td0 by Molmil
Structure of PYCR1 complexed with 5-oxo-7a-phenyl-hexahydropyrrolo[2,1-b][1,3]thiazole-3-carboxylic acid
Descriptor: (3R,4S,7aR)-5-oxo-7a-phenylhexahydropyrrolo[2,1-b][1,3]thiazole-3-carboxylic acid, Pyrroline-5-carboxylate reductase 1, mitochondrial, ...
Authors:Tanner, J.J, Meeks, K.R.
Deposit date:2023-07-02
Release date:2024-03-06
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Novel Fragment Inhibitors of PYCR1 from Docking-Guided X-ray Crystallography.
J.Chem.Inf.Model., 64, 2024
8TCU
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BU of 8tcu by Molmil
Structure of PYCR1 complexed with 2-chloro-5-(2-oxoimidazolidin-1-yl)benzoic acid
Descriptor: 2-chloro-5-(2-oxoimidazolidin-1-yl)benzoic acid, Pyrroline-5-carboxylate reductase 1, mitochondrial, ...
Authors:Tanner, J.J, Meeks, K.R.
Deposit date:2023-07-02
Release date:2024-03-06
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Novel Fragment Inhibitors of PYCR1 from Docking-Guided X-ray Crystallography.
J.Chem.Inf.Model., 64, 2024
8TD1
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BU of 8td1 by Molmil
Structure of PYCR1 complexed with 3-(6-Oxa-9-azaspiro(4.5)decane-9-carbonyl)benzoic acid
Descriptor: 3-(6-oxa-9-azaspiro[4.5]decane-9-carbonyl)benzoic acid, DI(HYDROXYETHYL)ETHER, Pyrroline-5-carboxylate reductase 1, ...
Authors:Tanner, J.J, Meeks, K.R.
Deposit date:2023-07-02
Release date:2024-03-06
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Novel Fragment Inhibitors of PYCR1 from Docking-Guided X-ray Crystallography.
J.Chem.Inf.Model., 64, 2024
8TCY
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BU of 8tcy by Molmil
Structure of PYCR1 complexed with 7-fluoro-2-oxo-1,2,3,4-tetrahydroquinoline-6-carboxylic acid
Descriptor: 7-fluoro-2-oxo-1,2,3,4-tetrahydroquinoline-6-carboxylic acid, DI(HYDROXYETHYL)ETHER, Pyrroline-5-carboxylate reductase 1, ...
Authors:Tanner, J.J, Meeks, K.R.
Deposit date:2023-07-02
Release date:2024-03-06
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Novel Fragment Inhibitors of PYCR1 from Docking-Guided X-ray Crystallography.
J.Chem.Inf.Model., 64, 2024
6X9D
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BU of 6x9d by Molmil
Structure of proline utilization A with trans-4-hydroxy-L-proline bound in the L-glutamate-gamma-semialdehyde dehydrogenase active site
Descriptor: 4-HYDROXYPROLINE, Bifunctional protein PutA, DI(HYDROXYETHYL)ETHER, ...
Authors:Tanner, J.J, Campbell, A.C.
Deposit date:2020-06-02
Release date:2020-12-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Structural analysis of prolines and hydroxyprolines binding to the l-glutamate-gamma-semialdehyde dehydrogenase active site of bifunctional proline utilization A.
Arch.Biochem.Biophys., 698, 2020
7STE
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BU of 7ste by Molmil
Rad24-RFC ADP state
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Checkpoint protein RAD24, ...
Authors:Castaneda, J.C, Schrecker, M, Remus, D, Hite, R.K.
Deposit date:2021-11-12
Release date:2022-04-06
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (2.73 Å)
Cite:Mechanisms of loading and release of the 9-1-1 checkpoint clamp.
Nat.Struct.Mol.Biol., 29, 2022
6XP2
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BU of 6xp2 by Molmil
Structure of human PYCR1 complexed with L-thiazolidine-4-carboxylate
Descriptor: Pyrroline-5-carboxylate reductase 1, mitochondrial, SULFATE ION, ...
Authors:Tanner, J.J, Christensen, E.M.
Deposit date:2020-07-07
Release date:2020-11-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:In crystallo screening for proline analog inhibitors of the proline cycle enzyme PYCR1.
J.Biol.Chem., 295, 2020
6X9C
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BU of 6x9c by Molmil
Structure of proline utilization A with L-proline bound in the L-glutamate-gamma-semialdehyde dehydrogenase active site
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Bifunctional protein PutA, DI(HYDROXYETHYL)ETHER, ...
Authors:Tanner, J.J, Campbell, A.C.
Deposit date:2020-06-02
Release date:2020-12-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:Structural analysis of prolines and hydroxyprolines binding to the l-glutamate-gamma-semialdehyde dehydrogenase active site of bifunctional proline utilization A.
Arch.Biochem.Biophys., 698, 2020

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