3L0T
 
 | | Crystal structure of catalytic domain of TACE with hydantoin inhibitor | | Descriptor: | Disintegrin and metalloproteinase domain-containing protein 17, ISOPROPYL ALCOHOL, N-{(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-3-methyl-L-valyl-N-(2-aminoethyl)-L-alaninamide, ... | | Authors: | Orth, P. | | Deposit date: | 2009-12-10 | | Release date: | 2010-03-02 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Discovery and SAR of hydantoin TACE inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
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3LE9
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8UXS
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1M15
 | | Transition state structure of arginine kinase | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ARGININE, MAGNESIUM ION, ... | | Authors: | Yousef, M.S, Fabiola, F, Gattis, J.L, Somasundaram, T, Chapman, M.S. | | Deposit date: | 2002-06-17 | | Release date: | 2002-12-04 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Refinement of the arginine kinase transition-state analogue complex at 1.2 A resolution: mechanistic insights.
Acta Crystallogr.,Sect.D, 58, 2002
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3POW
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8IWG
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8IWQ
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8IX9
 | | Pseudomoans Aerugiona Wildtype Ketopantoate Reductase with NADPH | | Descriptor: | 2-dehydropantoate 2-reductase, FORMIC ACID, GLYCEROL, ... | | Authors: | Choudhury, G.B, Datta, S. | | Deposit date: | 2023-03-31 | | Release date: | 2024-04-03 | | Last modified: | 2024-07-31 | | Method: | X-RAY DIFFRACTION (2.198 Å) | | Cite: | Implication of Molecular Constraints Facilitating the Functional Evolution of Pseudomonas aeruginosa KPR2 into a Versatile alpha-Keto-Acid Reductase.
Biochemistry, 63, 2024
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8IXM
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8IXH
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7XXT
 | | HapR Quadruple mutant, bound to IMTVC-212 | | Descriptor: | 1-((5-phenylthiophen-2-yl)sulfonyl)-1H-pyrazole, DIMETHYL SULFOXIDE, Hemagglutinin/protease regulatory protein | | Authors: | Basu Choudhury, G, Chaudhari, V, Ray Chaudhuri, S, Datta, S. | | Deposit date: | 2022-05-30 | | Release date: | 2023-02-22 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.501 Å) | | Cite: | Diversity in the ligand binding pocket of HapR attributes to its uniqueness towards several inhibitors with respect to other homologues - A structural and molecular perspective.
Int.J.Biol.Macromol., 233, 2023
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7XXN
 | | HapR Quadruple mutant, bound to Qstatin | | Descriptor: | 1-(5-bromanylthiophen-2-yl)sulfonylpyrazole, GLYCEROL, Hemagglutinin/protease regulatory protein | | Authors: | Basu Choudhury, G, Chaudhari, V, Ray Chaudhuri, S, Datta, S. | | Deposit date: | 2022-05-30 | | Release date: | 2023-02-22 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Diversity in the ligand binding pocket of HapR attributes to its uniqueness towards several inhibitors with respect to other homologues - A structural and molecular perspective.
Int.J.Biol.Macromol., 233, 2023
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7XY0
 | | HapR Double mutant Y76F, F171C | | Descriptor: | Hemagglutinin/protease regulatory protein | | Authors: | Basu Choudhury, G, Chaudhari, V, Ray Chaudhuri, S, Datta, S. | | Deposit date: | 2022-05-31 | | Release date: | 2023-02-22 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.43 Å) | | Cite: | Diversity in the ligand binding pocket of HapR attributes to its uniqueness towards several inhibitors with respect to other homologues - A structural and molecular perspective.
Int.J.Biol.Macromol., 233, 2023
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7Y4J
 | | HapR_Triple mutant Y76F, L97I, F171C | | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Hemagglutinin/protease regulatory protein | | Authors: | Basu Choudhury, G, Chaudhari, V, Ray Chaudhuri, S, Datta, S. | | Deposit date: | 2022-06-14 | | Release date: | 2023-02-22 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.69 Å) | | Cite: | Diversity in the ligand binding pocket of HapR attributes to its uniqueness towards several inhibitors with respect to other homologues - A structural and molecular perspective.
Int.J.Biol.Macromol., 233, 2023
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7XXS
 | | HapR mutant I141V | | Descriptor: | Hemagglutinin/protease regulatory protein | | Authors: | Basu Choudhury, G, Chaudhari, V, Ray Chaudhuri, S, Datta, S. | | Deposit date: | 2022-05-30 | | Release date: | 2023-02-22 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Diversity in the ligand binding pocket of HapR attributes to its uniqueness towards several inhibitors with respect to other homologues - A structural and molecular perspective.
Int.J.Biol.Macromol., 233, 2023
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7XYI
 | | HapR Quadruple mutant Y76F, L97I, I141V, F171C | | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Hemagglutinin/protease regulatory protein | | Authors: | Basu Choudhury, G, Chaudhari, V, Ray Chaudhuri, S, Datta, S. | | Deposit date: | 2022-06-01 | | Release date: | 2023-02-22 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.47 Å) | | Cite: | Diversity in the ligand binding pocket of HapR attributes to its uniqueness towards several inhibitors with respect to other homologues - A structural and molecular perspective.
Int.J.Biol.Macromol., 233, 2023
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7XXO
 | | HapR Native in CHES buffer pH 9.5 | | Descriptor: | Hemagglutinin/protease regulatory protein | | Authors: | Basu Choudhury, G, Chaudhari, V, Ray Chaudhuri, S, Datta, S. | | Deposit date: | 2022-05-30 | | Release date: | 2023-02-22 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.487 Å) | | Cite: | Diversity in the ligand binding pocket of HapR attributes to its uniqueness towards several inhibitors with respect to other homologues - A structural and molecular perspective.
Int.J.Biol.Macromol., 233, 2023
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7XY5
 | | HapR_Double Mutant with CHES buffer | | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Hemagglutinin/protease regulatory protein | | Authors: | Basu Choudhury, G, Chaudhari, V, Ray Chaudhuri, S, Datta, S. | | Deposit date: | 2022-05-31 | | Release date: | 2023-02-22 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.37 Å) | | Cite: | Diversity in the ligand binding pocket of HapR attributes to its uniqueness towards several inhibitors with respect to other homologues - A structural and molecular perspective.
Int.J.Biol.Macromol., 233, 2023
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3TY0
 | | Structure of PPARgamma ligand binding domain in complex with (R)-5-(3-((3-(6-methoxybenzo[d]isoxazol-3-yl)-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)methyl)phenyl)-5-methyloxazolidine-2,4-dione | | Descriptor: | (5R)-5-(3-{[3-(6-methoxy-1,2-benzoxazol-3-yl)-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl]methyl}phenyl)-5-methyl-1,3-oxazolidine-2,4-dione, Peroxisome proliferator-activated receptor gamma | | Authors: | Soisson, S.M, Meinke, P.M, McKeever, B, Liu, W. | | Deposit date: | 2011-09-23 | | Release date: | 2011-11-23 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Benzimidazolones: a new class of selective peroxisome proliferator-activated receptor gamma (PPAR-gamma) modulators.
J.Med.Chem., 54, 2011
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3E8R
 | | Crystal structure of catalytic domain of TACE with hydroxamate inhibitor | | Descriptor: | (1R,2S)-N~2~-hydroxy-1-{4-[(2-phenylquinolin-4-yl)methoxy]benzyl}cyclopropane-1,2-dicarboxamide, ADAM 17, CITRIC ACID, ... | | Authors: | Orth, P. | | Deposit date: | 2008-08-20 | | Release date: | 2008-10-21 | | Last modified: | 2021-10-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Discovery of novel hydroxamates as highly potent tumor necrosis factor-alpha converting enzyme inhibitors. Part II: optimization of the S3' pocket.
Bioorg.Med.Chem.Lett., 18, 2008
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5OOU
 | | Designed Ankyrin Repeat Protein (DARPin) YTRL-1 selected by directed evolution against Lysozyme | | Descriptor: | DARPin YTRL-1 | | Authors: | Fischer, G, Hogan, B.J, Houlihan, G, Edmond, S, Huovinen, T.T.K, Hollfelder, F, Hyvonen, M. | | Deposit date: | 2017-08-08 | | Release date: | 2018-08-29 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.104 Å) | | Cite: | Designed Ankyrin Repeat Protein (DARPin) YTRL-1 selected by directed evolution against Lysozyme
To be published
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5OP1
 | | Designed Ankyrin Repeat Protein (DARPin) A4 in complex with Lysozyme | | Descriptor: | CHLORIDE ION, DARPin A4, Lysozyme C | | Authors: | Fischer, G, Hogan, B.J, Houlihan, G, Edmond, S, Huovinen, T.T.K, Hollfelder, F, Hyvonen, M. | | Deposit date: | 2017-08-09 | | Release date: | 2018-08-29 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.284 Å) | | Cite: | Designed Ankyrin Repeat Protein (DARPin) A4 in complex with Lysozyme
To be published
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5OOS
 | | Designed Ankyrin Repeat Protein (DARPin) YTRL-2 selected by directed evolution against Lysozyme | | Descriptor: | CHLORIDE ION, DARPin YTRL-2, NONAETHYLENE GLYCOL | | Authors: | Hogan, B.J, Fischer, G, Houlihan, G, Edmond, S, Huovinen, T.T.K, Hollfelder, F, Hyvonen, M. | | Deposit date: | 2017-08-08 | | Release date: | 2018-08-29 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Designed Ankyrin Repeat Protein (DARPin) YTRL-2 selected by directed evolution against Lysozyme
To be published
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5OP3
 | | Designed Ankyrin Repeat Protein (DARPin) NDNH-1 selected by directed evolution against Lysozyme | | Descriptor: | ACETATE ION, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Fischer, G, Hogan, B.J, Houlihan, G, Edmond, S, Huovinen, T.T.K, Hollfelder, F, Hyvonen, M. | | Deposit date: | 2017-08-09 | | Release date: | 2018-08-29 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.359 Å) | | Cite: | Designed Ankyrin Repeat Protein (DARPin) NDNH-1 selected by directed evolution against Lysozyme
To be published
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5XK5
 | | Relaxed state of S65-phosphorylated ubiquitin | | Descriptor: | Polyubiquitin-B | | Authors: | Xu, D, Zhou, G, Qin, L.Y, Ran, M.L, Zhang, C.L, Liu, K, Liu, Z, Zhang, W.P, Tang, C. | | Deposit date: | 2017-05-05 | | Release date: | 2017-06-28 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Ubiquitin S65 phosphorylation engenders a pH-sensitive conformational switch
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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