8TAB
| RTA-PD00589 | Descriptor: | 1,2-ETHANEDIOL, 4H,5H-naphtho[1,2-b]thiophene-2-carboxylic acid, CHLORIDE ION, ... | Authors: | Rudolph, M.J, Tumer, N. | Deposit date: | 2023-06-27 | Release date: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Structure-based design and optimization of a new class of small molecule inhibitors targeting the P-stalk binding pocket of ricin. Bioorg.Med.Chem., 100, 2024
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8T9V
| RTA-RUNT-59 complex structure | Descriptor: | (9aP)-7-fluoro-4,5-dihydronaphtho[1,2-b]thiophene-2-carboxylic acid, NONAETHYLENE GLYCOL, Ricin | Authors: | Rudolph, M.J, Tumer, N. | Deposit date: | 2023-06-26 | Release date: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.945 Å) | Cite: | Structure-based design and optimization of a new class of small molecule inhibitors targeting the P-stalk binding pocket of ricin. Bioorg.Med.Chem., 100, 2024
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8TAD
| RTA in complex with inhibitor RUNT-206 | Descriptor: | (9aM)-5,5-dimethyl-4,5-dihydronaphtho[1,2-b]thiophene-2-carboxylic acid, CHLORIDE ION, NONAETHYLENE GLYCOL, ... | Authors: | Rudolph, M.J, Tumer, N. | Deposit date: | 2023-06-27 | Release date: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.76 Å) | Cite: | Structure-based design and optimization of a new class of small molecule inhibitors targeting the P-stalk binding pocket of ricin. Bioorg.Med.Chem., 100, 2024
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6FPJ
| Structure of the AMPAR GluA3 N-terminal domain bound to phosphate | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Herguedas, B, Garcia-Nafria, J, Greger, I. | Deposit date: | 2018-02-09 | Release date: | 2018-12-19 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Druggability Simulations and X-Ray Crystallography Reveal a Ligand-Binding Site in the GluA3 AMPA Receptor N-Terminal Domain. Structure, 27, 2019
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6FLR
| Super-open structure of the AMPAR GluA3 N-terminal domain | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Glutamate receptor 3 | Authors: | Garcia-Nafria, J. | Deposit date: | 2018-01-27 | Release date: | 2018-12-19 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | Druggability Simulations and X-Ray Crystallography Reveal a Ligand-Binding Site in the GluA3 AMPA Receptor N-Terminal Domain. Structure, 27, 2019
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8X3W
| Crystal structure of DIMT1 from the thermophilic archaeon, Pyrococcus horikoshii | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ACETATE ION, ... | Authors: | Sayan, S, Mandal, S.K, Dutta, A, Kanaujia, S.P. | Deposit date: | 2023-11-14 | Release date: | 2024-08-28 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Structural and functional characterization of archaeal DIMT1 unveils distinct protein dynamics essential for efficient catalysis. Structure, 2024
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8X4I
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8X47
| Crystal structure of DIMT1 in complex with S-adenosyl-L-homocysteine (SAH) from Pyrococcus horikoshii | Descriptor: | 1,2-ETHANEDIOL, ARGININE, DI(HYDROXYETHYL)ETHER, ... | Authors: | Saha, S, Dutta, A, Kanaujia, S.P. | Deposit date: | 2023-11-15 | Release date: | 2024-08-28 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural and functional characterization of archaeal DIMT1 unveils distinct protein dynamics essential for efficient catalysis. Structure, 2024
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8X41
| Crystal structure of DIMT1 in complex with 5'-methylthioadenosine and adenosine from Pyrococcus horikoshii | Descriptor: | 1,2-ETHANEDIOL, 5'-DEOXY-5'-METHYLTHIOADENOSINE, ACETATE ION, ... | Authors: | Saha, S, Mandal, S.K, Dutta, A, Kanaujia, S.P. | Deposit date: | 2023-11-14 | Release date: | 2024-08-28 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structural and functional characterization of archaeal DIMT1 unveils distinct protein dynamics essential for efficient catalysis. Structure, 2024
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3P3W
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1UII
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4OL4
| Crystal structure of secreted proline rich antigen MTC28 (Rv0040c) from Mycobacterium tuberculosis | Descriptor: | Proline-rich 28 kDa antigen | Authors: | Kundu, P, Biswas, R, Mukherjee, S, Reinhard, L, Mueller-dieckmann, J, Weiss, M.S, Das, A.K. | Deposit date: | 2014-01-23 | Release date: | 2015-01-28 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure-based Epitope Mapping of Mycobacterium tuberculosis Secretary Antigen MTC28 J.Biol.Chem., 291, 2016
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4PWS
| Crystal structure of secreted proline rich antigen MTC28 (Rv0040c) at 2.15 A with bound chloride from Mycobacterium tuberculosis | Descriptor: | CHLORIDE ION, Proline-rich 28 kDa antigen | Authors: | Kundu, P, Biswas, R, Mukherjee, S, Reinhard, L, Mueller-dieckmann, J, Weiss, M.S, Das, A.K. | Deposit date: | 2014-03-21 | Release date: | 2015-03-25 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structure-based Epitope Mapping of Mycobacterium tuberculosis Secretary Antigen MTC28 J.Biol.Chem., 291, 2016
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3IMX
| Crystal Structure of human glucokinase in complex with a synthetic activator | Descriptor: | (2R)-3-cyclopentyl-N-(5-methoxy[1,3]thiazolo[5,4-b]pyridin-2-yl)-2-{4-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}propanamide, Glucokinase, SODIUM ION, ... | Authors: | Stams, T, Vash, B. | Deposit date: | 2009-08-11 | Release date: | 2009-10-06 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Investigation of functionally liver selective glucokinase activators for the treatment of type 2 diabetes. J.Med.Chem., 52, 2009
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4N8D
| DPP4 complexed with syn-7aa | Descriptor: | 1-(cis-1-phenyl-4-{[(2E)-3-phenylprop-2-en-1-yl]oxy}cyclohexyl)methanamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, Dipeptidyl peptidase 4, ... | Authors: | Ostermann, N, Zink, F, Kroemer, M. | Deposit date: | 2013-10-17 | Release date: | 2014-02-12 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Discovery of C-(1-aryl-cyclohexyl)-methylamines as selective, orally available inhibitors of dipeptidyl peptidase IV. Bioorg.Med.Chem.Lett., 24, 2014
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4N8E
| DPP4 complexed with compound 12a | Descriptor: | 1-[cis-4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]piperidin-2-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, Dipeptidyl peptidase 4, ... | Authors: | Ostermann, N, Zink, F, Kroemer, M. | Deposit date: | 2013-10-17 | Release date: | 2014-02-12 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Discovery of C-(1-aryl-cyclohexyl)-methylamines as selective, orally available inhibitors of dipeptidyl peptidase IV. Bioorg.Med.Chem.Lett., 24, 2014
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