3N7X
 
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7ZYF
 | | Insulin regulated aminopeptidase (IRAP) in complex with a nanomolar alpha hydroxy beta amino acid based inhibitor. | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Mpakali, A, Stratikos, E, Giastas, P, Papakyriakou, A. | | Deposit date: | 2022-05-24 | | Release date: | 2022-07-20 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.81 Å) | | Cite: | Discovery of Selective Nanomolar Inhibitors for Insulin-Regulated Aminopeptidase Based on alpha-Hydroxy-beta-amino Acid Derivatives of Bestatin.
J.Med.Chem., 65, 2022
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2LC0
 | | Rv0020c_Nter structure | | Descriptor: | Putative uncharacterized protein TB39.8 | | Authors: | Barthe, P.P, Cohen-Gonsaud, M.M, Roumestand, C. | | Deposit date: | 2011-04-11 | | Release date: | 2011-11-02 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Structural Insight into the Mycobacterium tuberculosis Rv0020c Protein and Its Interaction with the PknB Kinase
Structure, 19, 2011
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2LC1
 | | Rv0020c_FHA Structure | | Descriptor: | Putative uncharacterized protein TB39.8 | | Authors: | Barthe, P.P, Cohen-Gonsaud, M.M, Roumestand, C.C. | | Deposit date: | 2011-04-11 | | Release date: | 2011-11-02 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Structural Insight into the Mycobacterium tuberculosis Rv0020c Protein and Its Interaction with the PknB Kinase
Structure, 19, 2011
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2OGZ
 | | Crystal structure of DPP-IV complexed with Lilly aryl ketone inhibitor | | Descriptor: | 4-[(3R)-3-{[2-(4-FLUOROPHENYL)-2-OXOETHYL]AMINO}BUTYL]BENZAMIDE, Dipeptidyl peptidase | | Authors: | Timm, D.E. | | Deposit date: | 2007-01-09 | | Release date: | 2007-03-06 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Discovery of non-covalent dipeptidyl peptidase IV inhibitors which induce a conformational change in the active site.
Bioorg.Med.Chem.Lett., 17, 2007
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7B5W
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7B5U
 | | RCK_C domain dimer of S.agalactiae BusR in complex with c-di-AMP | | Descriptor: | (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, GntR family transcriptional regulator | | Authors: | Bandera, A.M, Witte, G. | | Deposit date: | 2020-12-07 | | Release date: | 2021-08-11 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | BusR senses bipartite DNA binding motifs by a unique molecular ruler architecture.
Nucleic Acids Res., 49, 2021
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7B5Y
 | | S. agalactiae BusR in complex with its busAB-promotor DNA | | Descriptor: | (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, BusR binding site in the busAB promotor. strand1, BusR binding site in the busAB promotor. strand2, ... | | Authors: | Bandera, A.M, Witte, G. | | Deposit date: | 2020-12-07 | | Release date: | 2021-08-11 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (7.1 Å) | | Cite: | BusR senses bipartite DNA binding motifs by a unique molecular ruler architecture.
Nucleic Acids Res., 49, 2021
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7B5T
 | | S. agalactiae BusR transcription factor | | Descriptor: | GntR family transcriptional regulator | | Authors: | Bandera, A.M, Witte, G. | | Deposit date: | 2020-12-07 | | Release date: | 2021-08-11 | | Last modified: | 2021-10-13 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | BusR senses bipartite DNA binding motifs by a unique molecular ruler architecture.
Nucleic Acids Res., 49, 2021
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8AHB
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8AHA
 | | rsEGFP2 photoswitched to its off-state at 100K | | Descriptor: | Green fluorescent protein, SULFATE ION | | Authors: | Mantovanelli, A, Adam, V. | | Deposit date: | 2022-07-21 | | Release date: | 2023-07-19 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.38 Å) | | Cite: | Photophysical Studies at Cryogenic Temperature Reveal a Novel Photoswitching Mechanism of rsEGFP2.
J.Am.Chem.Soc., 145, 2023
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6RGO
 | | Complex of KlAtg21 with coiled-coil of AgAtg16 | | Descriptor: | Autophagy protein 16, Autophagy-related protein 21 | | Authors: | Thumm, M, Neumann, P. | | Deposit date: | 2019-04-17 | | Release date: | 2020-05-13 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.701 Å) | | Cite: | Atg21 organizes Atg8 lipidation at the contact of the vacuole with the phagophore.
Autophagy, 2020
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3HNA
 | | Crystal structure of catalytic domain of human euchromatic histone methyltransferase 1 in complex with SAH and mono-Methylated H3K9 Peptide | | Descriptor: | Histone-lysine N-methyltransferase, H3 lysine-9 specific 5, Mono-Methylated H3K9 Peptide, ... | | Authors: | Min, J, Wu, H, Loppnau, P, Wleigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Plotnikov, A.N, Structural Genomics Consortium (SGC) | | Deposit date: | 2009-05-30 | | Release date: | 2009-06-09 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structural biology of human H3K9 methyltransferases
Plos One, 5, 2010
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6T4O
 | | Human Carbonic anhydrase II bound by 3,5-dimethylbenzenesulfonamide | | Descriptor: | 3,5-dimethylbenzenesulfonamide, BICINE, DIMETHYL SULFOXIDE, ... | | Authors: | Smirnov, A, Manakova, E, Grazulis, S. | | Deposit date: | 2019-10-14 | | Release date: | 2020-10-14 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.133 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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6T5P
 | | Human Carbonic anhydrase XII bound by 3,5-Di-tert-butylbenzenesulfonamide | | Descriptor: | 1,2-ETHANEDIOL, 3,5-di~{tert}-butylbenzenesulfonamide, Carbonic anhydrase 12, ... | | Authors: | Smirnov, A, Manakova, E, Grazulis, S. | | Deposit date: | 2019-10-16 | | Release date: | 2020-10-14 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.5 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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6T4P
 | | Human Carbonic anhydrase II bound by napthalene-1-sulfonamide | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DIMETHYL SULFOXIDE, SODIUM ION, ... | | Authors: | Smirnov, A, Manakova, E, Grazulis, S. | | Deposit date: | 2019-10-14 | | Release date: | 2020-10-14 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.75 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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6T81
 | | Human Carbonic anhydrase II bound by 2-Naphthalenesulfonamide. | | Descriptor: | AZIDE ION, BICINE, SODIUM ION, ... | | Authors: | Smirnov, A, Manakova, E, Grazulis, S. | | Deposit date: | 2019-10-23 | | Release date: | 2020-10-14 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (0.98 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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6T4N
 | | Human Carbonic anhydrase II bound by 2,4,6-trimethylbenzenesulfonamide | | Descriptor: | 2,4,6-trimethylbenzenesulfonamide, 2-piperazin-1-ylethanol, BICINE, ... | | Authors: | Smirnov, A, Manakova, E, Grazulis, S. | | Deposit date: | 2019-10-14 | | Release date: | 2020-10-14 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.4 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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5NZZ
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6T5C
 | | Human Carbonic anhydrase II bound by anthracene-9-sulfonamide | | Descriptor: | BICINE, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | | Authors: | Smirnov, A, Manakova, E, Grazulis, S. | | Deposit date: | 2019-10-15 | | Release date: | 2020-10-14 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.22 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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6T5Q
 | | Human Carbonic anhydrase XII bound by 3,5-diphenylbenzenesulfonamide | | Descriptor: | 1,2-ETHANEDIOL, 3,5-diphenylbenzenesulfonamide, Carbonic anhydrase 12, ... | | Authors: | Smirnov, A, Manakova, E, Grazulis, S. | | Deposit date: | 2019-10-16 | | Release date: | 2020-10-14 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.8 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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6R6Y
 | | Crystal structure of human carbonic anhydrase isozyme XII with 4-chloro-2-cyclohexylsulfanyl-N-(2-hydroxyethyl)-5-sulfamoyl-benzamide | | Descriptor: | 1,2-ETHANEDIOL, 4-chloranyl-2-cyclohexylsulfanyl-~{N}-(2-hydroxyethyl)-5-sulfamoyl-benzamide, Carbonic anhydrase 12, ... | | Authors: | Smirnov, A, Manakova, E, Grazulis, S. | | Deposit date: | 2019-03-28 | | Release date: | 2020-04-08 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.38 Å) | | Cite: | Halogenated and di-substituted benzenesulfonamides as selective inhibitors of carbonic anhydrase isoforms.
Eur.J.Med.Chem., 185, 2020
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6R71
 | | Crystal structure of human carbonic anhydrase isozyme XII with 2-(benzenesulfonyl)-4-chloro-N-(2-hydroxyethyl)-5-sulfamoyl-benzamide | | Descriptor: | 1,2-ETHANEDIOL, 4-chloranyl-~{N}-(2-hydroxyethyl)-2-(phenylsulfonyl)-5-sulfamoyl-benzamide, Carbonic anhydrase 12, ... | | Authors: | Smirnov, A, Manakova, E, Grazulis, S. | | Deposit date: | 2019-03-28 | | Release date: | 2020-04-08 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Halogenated and di-substituted benzenesulfonamides as selective inhibitors of carbonic anhydrase isoforms.
Eur.J.Med.Chem., 185, 2020
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6RP3
 | | Truncated Norcoclaurine synthase with reaction intermediate mimic | | Descriptor: | 1,2-ETHANEDIOL, 4-[2-[[(2~{R})-2-phenylpropyl]amino]ethyl]benzene-1,2-diol, S-norcoclaurine synthase | | Authors: | Keep, N.H, Roddan, R, Sula, A. | | Deposit date: | 2019-05-13 | | Release date: | 2019-10-09 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Acceptance and Kinetic Resolution of alpha-Methyl-Substituted Aldehydes by Norcoclaurine Synthases
Acs Catalysis, 2019
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6R6F
 | | Crystal structure of human carbonic anhydrase isozyme II with 4-chloro-2-cyclohexylsulfanyl-N-(2-hydroxyethyl)-5-sulfamoyl-benzamide | | Descriptor: | 4-chloranyl-2-cyclohexylsulfanyl-~{N}-(2-hydroxyethyl)-5-sulfamoyl-benzamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | | Authors: | Smirnov, A, Manakova, E, Grazulis, S. | | Deposit date: | 2019-03-27 | | Release date: | 2019-12-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Halogenated and di-substituted benzenesulfonamides as selective inhibitors of carbonic anhydrase isoforms.
Eur.J.Med.Chem., 185, 2020
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