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PDB: 775 results
6FE0
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BU of 6fe0 by Molmil
Three dimensional structure of human carbonic anhydrase IX in complex with benzenesulfonamide.
Descriptor: 2-(cyclooctylamino)-3,5,6-trifluoro-4-[(2-hydroxyethyl)sulfanyl]benzenesulfonamide, Carbonic anhydrase 9, ZINC ION
Authors:Leitans, J, Tars, K.
Deposit date:2017-12-28
Release date:2018-07-04
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Novel fluorinated carbonic anhydrase IX inhibitors reduce hypoxia-induced acidification and clonogenic survival of cancer cells.
Oncotarget, 9, 2018
6FE2
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BU of 6fe2 by Molmil
Three dimensional structure of human carbonic anhydrase IX
Descriptor: Carbonic anhydrase 9, ZINC ION
Authors:Leitans, J, Tars, K.
Deposit date:2017-12-28
Release date:2018-07-04
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Novel fluorinated carbonic anhydrase IX inhibitors reduce hypoxia-induced acidification and clonogenic survival of cancer cells.
Oncotarget, 9, 2018
7CBB
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BU of 7cbb by Molmil
Crystal structure of SbnC in the biosynthesis of staphyloferrin B
Descriptor: ADENOSINE MONOPHOSPHATE, IucA/IucC family siderophore biosynthesis protein
Authors:Tang, J, Ju, Y, Zhou, H.
Deposit date:2020-06-11
Release date:2020-09-23
Last modified:2020-10-28
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural and Biochemical Characterization of SbnC as a Representative Type B Siderophore Synthetase.
Acs Chem.Biol., 15, 2020
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
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
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
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
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
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
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
6FE1
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BU of 6fe1 by Molmil
Three dimensional structure of human carbonic anhydrase IX in complex with benzenesulfonamide.
Descriptor: 3-(cyclooctylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, Carbonic anhydrase 9, ZINC ION
Authors:Leitans, J, Tars, K.
Deposit date:2017-12-28
Release date:2018-07-04
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Novel fluorinated carbonic anhydrase IX inhibitors reduce hypoxia-induced acidification and clonogenic survival of cancer cells.
Oncotarget, 9, 2018
6G9U
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BU of 6g9u by Molmil
Three dimensional structure of human carbonic anhydrase IX in complex with sulfonamide
Descriptor: 4-[2-[3-(cyclooctylamino)-2,5,6-tris(fluoranyl)-4-sulfamoyl-phenyl]sulfanylethyl]benzoic acid, Carbonic anhydrase 9, ZINC ION
Authors:Leitans, J, Tars, K.
Deposit date:2018-04-11
Release date:2018-07-04
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Novel fluorinated carbonic anhydrase IX inhibitors reduce hypoxia-induced acidification and clonogenic survival of cancer cells.
Oncotarget, 9, 2018
6G98
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BU of 6g98 by Molmil
Three dimensional structure of human carbonic anhydrase IX in complex with sulfonamide
Descriptor: 4-[2-[3-(cyclododecylamino)-2,5,6-tris(fluoranyl)-4-sulfamoyl-phenyl]sulfanylethyl]benzoic acid, Carbonic anhydrase 9, ZINC ION
Authors:Leitans, J, Tars, K.
Deposit date:2018-04-10
Release date:2018-07-04
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.47 Å)
Cite:Novel fluorinated carbonic anhydrase IX inhibitors reduce hypoxia-induced acidification and clonogenic survival of cancer cells.
Oncotarget, 9, 2018
3ITG
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BU of 3itg by Molmil
Structure the proline utilization A proline dehydrogenase domain (PutA86-630) inactivated with N-propargylglycine
Descriptor: Bifunctional protein putA, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE
Authors:Tanner, J.J.
Deposit date:2009-08-28
Release date:2010-01-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:The structure of the proline utilization a proline dehydrogenase domain inactivated by N-propargylglycine provides insight into conformational changes induced by substrate binding and flavin reduction.
Biochemistry, 49, 2010
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
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
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
8Q18
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BU of 8q18 by Molmil
The Crystal Structure of Human Carbonic Anhydrase IX in Complex with Sulfonamide
Descriptor: 1,1,3-tris(oxidanylidene)-2-(2-phenylethyl)-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 (2.13 Å)
Cite:Structural Basis of Saccharin Derivative Inhibition of Carbonic Anhydrase IX.
Chemmedchem, 18, 2023
8Q19
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BU of 8q19 by Molmil
The Crystal Structure of Human Carbonic Anhydrase IX in Complex with Sulfonamide
Descriptor: 2-but-2-ynyl-1,1,3-tris(oxidanylidene)-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 (2.63 Å)
Cite:Structural Basis of Saccharin Derivative Inhibition of Carbonic Anhydrase IX.
Chemmedchem, 18, 2023
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
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

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