2ARA
 
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4U6R
 | | Crystal structure of human IRE1 cytoplasmic domains in complex with a sulfonamide inhibitor. | | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, N-{4-[(3-{2-[(trans-4-aminocyclohexyl)amino]pyrimidin-4-yl}pyridin-2-yl)oxy]-3-methylnaphthalen-1-yl}-2-chlorobenzenesulfonamide, ... | | Authors: | Mohr, C. | | Deposit date: | 2014-07-29 | | Release date: | 2014-10-08 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Unfolded Protein Response in Cancer: IRE1 alpha Inhibition by Selective Kinase Ligands Does Not Impair Tumor Cell Viability.
Acs Med.Chem.Lett., 6, 2015
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6U1G
 | | Thermus thermophilus D-alanine-D-alanine ligase in complex with ATP, D-alanine-D-alanine, Mg2+ and Cs+ | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CESIUM ION, D-ALANINE, ... | | Authors: | Pederick, J.L, Bruning, J.B. | | Deposit date: | 2019-08-15 | | Release date: | 2020-05-06 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | d-Alanine-d-alanine ligase as a model for the activation of ATP-grasp enzymes by monovalent cations.
J.Biol.Chem., 295, 2020
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4TWS
 | | Gadolinium Derivative of Tetragonal Hen Egg-White Lysozyme at 1.45 A Resolution | | Descriptor: | 10-((2R)-2-HYDROXYPROPYL)-1,4,7,10-TETRAAZACYCLODODECANE 1,4,7-TRIACETIC ACID, CHLORIDE ION, GADOLINIUM ATOM, ... | | Authors: | Holton, J.M, Classen, S, Frankel, K.A, Tainer, J.A. | | Deposit date: | 2014-07-01 | | Release date: | 2014-08-20 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | The R-factor gap in macromolecular crystallography: an untapped potential for insights on accurate structures.
Febs J., 281, 2014
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4XH5
 | | Crystal structure of Salmonella typhimurium propionate kinase A88G mutant, in complex with AMPPNP and propionate | | Descriptor: | GLYCEROL, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, PROPANOIC ACID, ... | | Authors: | Murthy, A.M, Mathivanan, S, Chittori, S, Savithri, H.S, Murthy, M.R.N. | | Deposit date: | 2015-01-04 | | Release date: | 2015-09-23 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | Structures of substrate- and nucleotide-bound propionate kinase from Salmonella typhimurium: substrate specificity and phosphate-transfer mechanism
Acta Crystallogr.,Sect.D, 71, 2015
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6U1H
 | | Thermus thermophilus D-alanine-D-alanine ligase in complex with ADP, phosphate, Mg2+ and K+ | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, D-alanine--D-alanine ligase, MAGNESIUM ION, ... | | Authors: | Pederick, J.L, Bruning, J.B. | | Deposit date: | 2019-08-15 | | Release date: | 2020-05-06 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | d-Alanine-d-alanine ligase as a model for the activation of ATP-grasp enzymes by monovalent cations.
J.Biol.Chem., 295, 2020
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4U5I
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4U5K
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4U9Y
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4UEB
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6XN6
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4UFU
 | | Crystal structure of human tankyrase 2 in complex with TA-12 | | Descriptor: | 8-methyl-2-[4-(trifluoromethyl)phenyl]-3H-quinazolin-4-one, GLYCEROL, SULFATE ION, ... | | Authors: | Haikarainen, T, Lehtio, L. | | Deposit date: | 2015-03-19 | | Release date: | 2016-04-13 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure-Activity Relationships of 2-Arylquinazolin-4-Ones as Highly Selective and Potent Inhibitors of the Tankyrases.
Eur.J.Med.Chem., 118, 2016
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4TV1
 | | Crystal structure of hERa-LBD (Y537S) in complex with propylparaben | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Estrogen receptor, ... | | Authors: | Delfosse, V, Grimaldi, M, Bourguet, W. | | Deposit date: | 2014-06-25 | | Release date: | 2015-01-28 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | A structural perspective on nuclear receptors as targets of environmental compounds.
Acta Pharmacol.Sin., 36, 2015
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6U6P
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2J8O
 | | Structure of the immunoglobulin tandem repeat of titin A168-A169 | | Descriptor: | GLYCEROL, TITIN | | Authors: | Mueller, S, Lange, S, Kursula, I, Gautel, M, Wilmanns, M. | | Deposit date: | 2006-10-26 | | Release date: | 2007-08-21 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.49 Å) | | Cite: | Rigid Conformation of an Immunoglobulin Domain Tandem Repeat in the A-Band of the Elastic Muscle Protein Titin
J.Mol.Biol., 371, 2007
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4U2C
 | | Crystal structure of dienelactone hydrolase A-6 variant (S7T, A24V, Q35H, F38L, Q110L, C123S, Y145C, E199G and S208G) at 1.95 A resolution | | Descriptor: | Carboxymethylenebutenolidase, SULFATE ION | | Authors: | Porter, J.L, Collyer, C.A, Ollis, D.L. | | Deposit date: | 2014-07-16 | | Release date: | 2014-12-10 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Directed evolution of new and improved enzyme functions using an evolutionary intermediate and multidirectional search.
Acs Chem.Biol., 10, 2015
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4U2D
 | | Crystal structure of dienelactone hydrolase S-2 variant (Q35H, F38L, Q110L, C123S, Y137C, Y145C, N154D, E199G, S208G and G211D) at 1.67 A resolution | | Descriptor: | Carboxymethylenebutenolidase, SULFATE ION | | Authors: | Porter, J.L, Collyer, C.A, Ollis, D.L. | | Deposit date: | 2014-07-16 | | Release date: | 2014-12-10 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | Directed evolution of new and improved enzyme functions using an evolutionary intermediate and multidirectional search.
Acs Chem.Biol., 10, 2015
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4U2G
 | | Crystal structure of dienelactone hydrolase B-4 variant (Q35H, F38L, Y64H, Q76L, Q110L, C123S, Y137C, A141V, Y145C, N154D, E199G, S208G, G211D, S233G and 237Q) at 1.80 A resolution | | Descriptor: | Carboxymethylenebutenolidase, SULFATE ION | | Authors: | Porter, J.L, Collyer, C.A, Ollis, D.L. | | Deposit date: | 2014-07-16 | | Release date: | 2014-12-10 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Directed evolution of new and improved enzyme functions using an evolutionary intermediate and multidirectional search.
Acs Chem.Biol., 10, 2015
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4TUZ
 | | Crystal structure of hERa-LBD (Y537S) in complex with alpha-zearalenol | | Descriptor: | (3S,7R,11E)-7,14,16-trihydroxy-3-methyl-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclotetradecin-1-one, 1,2-ETHANEDIOL, Estrogen receptor, ... | | Authors: | Delfosse, V, Grimaldi, M, Bourguet, W. | | Deposit date: | 2014-06-25 | | Release date: | 2015-01-28 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | A structural perspective on nuclear receptors as targets of environmental compounds.
Acta Pharmacol. Sin., 36, 2015
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6U6S
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6U6R
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4TVF
 | | OxyB from Actinoplanes teichomyceticus | | Descriptor: | OxyB, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Haslinger, K, Cryle, M.J. | | Deposit date: | 2014-06-26 | | Release date: | 2014-11-12 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Cytochrome P450 OxyBtei Catalyzes the First Phenolic Coupling Step in Teicoplanin Biosynthesis.
Chembiochem, 15, 2014
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4TVH
 | | HIV Protease (PR) dimer in closed form with TL-3 in active site and fragment AK-2097 in the outside/top of flap | | Descriptor: | 3-(morpholin-4-ylmethyl)-1H-indole-6-carboxylic acid, BETA-MERCAPTOETHANOL, Protease, ... | | Authors: | Tiefenbrunn, T, Kislukhin, A, Finn, M.G, Stout, C.D. | | Deposit date: | 2014-06-26 | | Release date: | 2014-09-17 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.195 Å) | | Cite: | Distinguishing Binders from False Positives by Free Energy Calculations: Fragment Screening Against the Flap Site of HIV Protease.
J.Phys.Chem.B, 119, 2015
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4U2T
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4U3A
 | | Crystal structure of CtCel5E | | Descriptor: | Endoglucanase H | | Authors: | Yuan, S.F, Liang, P.H, Ho, M.C. | | Deposit date: | 2014-07-19 | | Release date: | 2015-01-14 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.42 Å) | | Cite: | Biochemical Characterization and Structural Analysis of a Bifunctional Cellulase/Xylanase from Clostridium thermocellum
J.Biol.Chem., 290, 2015
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