4A4T
 
 | | UNAC Tetraloops: To What Extent Can They Mimic GNRA Tetraloops | | Descriptor: | 5'-R(*GP*GP*AP*CP*CP*CP*GP*GP*CP*UP*UP*AP*CP*GP *CP*UP*GP*GP*GP*UP*CP*C)-3' | | Authors: | Zhao, Q, Huang, H, Nagaswamy, U, Xia, Y, Gao, X, Fox, G. | | Deposit date: | 2011-10-20 | | Release date: | 2012-05-30 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Unac Tetraloops: To What Extent Can They Mimic Gnra Tetraloops
Biopolymers, 97, 2012
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6SR4
 | | X-ray pump X-ray probe on lysozyme.Gd nanocrystals: 112 fs time delay | | Descriptor: | 10-((2R)-2-HYDROXYPROPYL)-1,4,7,10-TETRAAZACYCLODODECANE 1,4,7-TRIACETIC ACID, CHLORIDE ION, GADOLINIUM ATOM, ... | | Authors: | Kloos, M, Gorel, A, Nass, K. | | Deposit date: | 2019-09-04 | | Release date: | 2020-04-22 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural dynamics in proteins induced by and probed with X-ray free-electron laser pulses.
Nat Commun, 11, 2020
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4RVJ
 | | Crystal structure of multidrug-resistant clinical isolate A02 HIV-1 protease in complex with amprenavir | | Descriptor: | HIV-1 protease, {3-[(4-AMINO-BENZENESULFONYL)-ISOBUTYL-AMINO]-1-BENZYL-2-HYDROXY-PROPYL}-CARBAMIC ACID TETRAHYDRO-FURAN-3-YL ESTER | | Authors: | Yedidi, R.S, Garimella, H, Kaufman, J.D, Das, D, Wingfield, P.T, Mitsuya, H. | | Deposit date: | 2014-11-26 | | Release date: | 2016-05-04 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Enhanced antiviral activity by the P2-tris-tetrahydrofuran moiety of GRL-0519, a novel nonpeptidic HIV-1 protease inhibitor (PI), against multi-PI-resistant and highly darunavir-resistant strains of HIV-1
To be Published
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5CFJ
 | | Structural and functional attributes of malaria parasite Ap4A hydrolase | | Descriptor: | BIS(5'-nucleosyl)-tetraphosphatase (Diadenosine tetraphosphatase), putative, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Sharma, A, Yogavel, M, Sharma, A. | | Deposit date: | 2015-07-08 | | Release date: | 2016-02-10 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Structural and functional attributes of malaria parasite diadenosine tetraphosphate hydrolase
Sci Rep, 6, 2016
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6SR3
 | | X-ray pump X-ray probe on lysozyme.Gd nanocrystals: 62 fs time delay | | Descriptor: | 10-((2R)-2-HYDROXYPROPYL)-1,4,7,10-TETRAAZACYCLODODECANE 1,4,7-TRIACETIC ACID, CHLORIDE ION, GADOLINIUM ATOM, ... | | Authors: | Kloos, M, Gorel, A, Nass, K. | | Deposit date: | 2019-09-04 | | Release date: | 2020-04-22 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural dynamics in proteins induced by and probed with X-ray free-electron laser pulses.
Nat Commun, 11, 2020
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4A4S
 | | UNAC Tetraloops: To What Extent Can They Mimic GNRA Tetraloops | | Descriptor: | 5'-R(*GP*GP*AP*CP*CP*CP*GP*GP*CP*UP*CP*AP*CP*GP *CP*UP*GP*GP*GP*UP*CP*C)-3' | | Authors: | Zhao, Q, Huang, H, Nagaswamy, U, Xia, Y, Gao, X, Fox, G. | | Deposit date: | 2011-10-20 | | Release date: | 2012-05-30 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Unac Tetraloops: To What Extent Can They Mimic Gnra Tetraloops
Biopolymers, 97, 2012
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6JNH
 | | Crystal structure of the complex of Phosphopantetheine adenylyltransferasefrom Acinetobacter baumannii with Ascorbic acid (Vitamin-C) at 2.0A resolution | | Descriptor: | ASCORBIC ACID, Phosphopantetheine adenylyltransferase, SODIUM ION, ... | | Authors: | Iqbal, N, Gupta, A, Sharm, P, Singh, T.P. | | Deposit date: | 2019-03-14 | | Release date: | 2019-03-27 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of the complex of Phosphopantetheine adenylyltransferase from Acinetobacter baumannii with Ascorbic acid (Vitamin-C) at 2.0A resolution
To Be Published
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1ANA
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6W11
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4OVG
 | | E. coli sliding clamp in complex with (R)-9-(2-amino-2-oxoethyl)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid | | Descriptor: | (2R)-9-(2-amino-2-oxoethyl)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid, 1,2-ETHANEDIOL, CALCIUM ION, ... | | Authors: | Yin, Z, Oakley, A.J. | | Deposit date: | 2014-02-21 | | Release date: | 2014-03-05 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Bacterial Sliding Clamp Inhibitors that Mimic the Sequential Binding Mechanism of Endogenous Linear Motifs.
J.Med.Chem., 58, 2015
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4A4R
 | | UNAC Tetraloops: To What Extent Can They Mimic GNRA Tetraloops | | Descriptor: | 5'-R(*GMP*GP*AP*CP*CP*CP*GP*GP*CP*UP*AP*AP*CP*GP *CP*UP*GP*GP*GP*UP*CP*C)-3' | | Authors: | Zhao, Q, Huang, H, Nagaswamy, U, Xia, Y, Gao, X, Fox, G. | | Deposit date: | 2011-10-20 | | Release date: | 2012-05-30 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Unac Tetraloops: To What Extent Can They Mimic Gnra Tetraloops
Biopolymers, 97, 2012
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4A5O
 | | Crystal structure of Pseudomonas aeruginosa N5, N10- methylenetetrahydrofolate dehydrogenase-cyclohydrolase (FolD) | | Descriptor: | BIFUNCTIONAL PROTEIN FOLD, DI(HYDROXYETHYL)ETHER, GLYCEROL | | Authors: | Eadsforth, T.C, Gardiner, M, Maluf, F.V, McElroy, S, James, D, Frearson, J, Gray, D, Hunter, W.N. | | Deposit date: | 2011-10-26 | | Release date: | 2011-11-16 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Assessment of Pseudomonas Aeruginosa N(5),N(10)-Methylenetetrahydrofolate Dehydrogenase - Cyclohydrolase as a Potential Antibacterial Drug Target.
Plos One, 7, 2012
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5X1M
 | | Vanillate/3-O-methylgallate O-demethylase, LigM, protocatechuate-tetrahydrofolate complex form | | Descriptor: | (6S)-5,6,7,8-TETRAHYDROFOLATE, 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | | Authors: | Harada, A, Senda, T. | | Deposit date: | 2017-01-26 | | Release date: | 2017-05-17 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The crystal structure of a new O-demethylase from Sphingobium sp. strain SYK-6
FEBS J., 284, 2017
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6NMF
 | | SFX structure of reduced cytochrome c oxidase at room temperature | | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ... | | Authors: | Rousseau, D.L, Yeh, S.-R, Ishigami, I. | | Deposit date: | 2019-01-10 | | Release date: | 2019-03-13 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Snapshot of an oxygen intermediate in the catalytic reaction of cytochromecoxidase.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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6NMP
 | | SFX structure of oxidized cytochrome c oxidase at room temperature | | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ... | | Authors: | Rousseau, D.L, Yeh, S.-R, Ishigami, I. | | Deposit date: | 2019-01-11 | | Release date: | 2019-03-13 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Snapshot of an oxygen intermediate in the catalytic reaction of cytochromecoxidase.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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4NAT
 | | Inhibitors of 4-Phosphopanthetheine Adenylyltransferase | | Descriptor: | (1R,2R)-N-(3,4-dichlorobenzyl)-2-(4,6-dimethoxypyrimidin-2-yl)cyclohexanecarboxamide, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ADENOSINE-5'-DIPHOSPHATE, ... | | Authors: | Lahiri, S.D. | | Deposit date: | 2013-10-22 | | Release date: | 2014-03-12 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Discovery of Inhibitors of 4'-Phosphopantetheine Adenylyltransferase (PPAT) To Validate PPAT as a Target for Antibacterial Therapy.
Antimicrob.Agents Chemother., 57, 2013
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5AAU
 | | Optimization of a novel binding motif to to (E)-3-(3,5-difluoro-4-((1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-2,3,4,9-tetrahydro-1H- pyrido(3,4-b)indol-1-yl)phenyl)acrylic acid (AZD9496), a potent and orally bioavailable selective estrogen receptor downregulator and antagonist | | Descriptor: | 3-(1-(4-Chlorophenyl)-3,4-dihydro-1H-pyrido(3,4-b)indol-2(9H)-yl)propanoic acid, ESTROGEN RECEPTOR | | Authors: | Norman, R.A, Bradbury, R.H, de Almeida, C, Andrews, D.M, Ballard, P, Buttar, D, Callis, R.J, Currie, G.S, Curwen, J.O, Davies, C.D, de Savi, C, Donald, C.S, Feron, L.J.L, Glossop, S.C, Hayter, B.R, Karoutchi, G, Lamont, S.G, MacFaul, P, Moss, T, Pearson, S.E, Rabow, A.A, Tonge, M, Walker, G.E, Weir, H.M, Wilson, Z. | | Deposit date: | 2015-07-28 | | Release date: | 2015-10-14 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Optimization of a Novel Binding Motif to (E)-3-(3,5-Difluoro-4-((1R,3R)-2-(2-Fluoro-2-Methylpropyl)-3-Methyl-2, 3,4,9-Tetrahydro-1H-Pyrido[3,4-B]Indol-1-Yl)Phenyl)Acrylic Acid (Azd9496), a Potent and Orally Bioavailable Selective Estrogen Receptor Downregulator and Antagonist.
J.Med.Chem., 58, 2015
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5AAV
 | | Optimization of a novel binding motif to to (E)-3-(3,5-difluoro-4-((1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-2,3,4,9-tetrahydro-1H- pyrido(3,4-b)indol-1-yl)phenyl)acrylic acid (AZD9496), a potent and orally bioavailable selective estrogen receptor downregulator and antagonist | | Descriptor: | (2E)-3-{4-[(1E)-1,2-DIPHENYLBUT-1-ENYL]PHENYL}ACRYLIC ACID, ESTROGEN RECEPTOR | | Authors: | Norman, R.A, Bradbury, R.H, de Almeida, C, Andrews, D.M, Ballard, P, Buttar, D, Callis, R.J, Currie, G.S, Curwen, J.O, Davies, C.D, de Savi, C, Donald, C.S, Feron, L.J.L, Glossop, S.C, Hayter, B.R, Karoutchi, G, Lamont, S.G, MacFaul, P, Moss, T, Pearson, S.E, Rabow, A.A, Tonge, M, Walker, G.E, Weir, H.M, Wilson, Z. | | Deposit date: | 2015-07-29 | | Release date: | 2015-10-14 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Optimization of a Novel Binding Motif to (E)-3-(3,5-Difluoro-4-((1R,3R)-2-(2-Fluoro-2-Methylpropyl)-3-Methyl-2, 3,4,9-Tetrahydro-1H-Pyrido[3,4-B]Indol-1-Yl)Phenyl)Acrylic Acid (Azd9496), a Potent and Orally Bioavailable Selective Estrogen Receptor Downregulator and Antagonist.
J.Med.Chem., 58, 2015
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4A4U
 | | UNAC Tetraloops: To What Extent Can They Mimic GNRA Tetraloops | | Descriptor: | 5'-R(*GP*GP*AP*CP*CP*CP*GP*GP*CP*UP*GP*AP*CP*GP *CP*UP*GP*GP*GP*UP*CP*C)-3' | | Authors: | Zhao, Q, Huang, H, Nagaswamy, U, Xia, Y, Gao, X, Fox, G. | | Deposit date: | 2011-10-20 | | Release date: | 2012-05-30 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Unac Tetraloops: To What Extent Can They Mimic Gnra Tetraloops
Biopolymers, 97, 2012
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4NAU
 | | S. aureus CoaD with Inhibitor | | Descriptor: | 2-[2-[(1S,2S)-2-[(3,4-dichlorophenyl)methylcarbamoyl]cyclohexyl]-6-ethyl-pyrimidin-4-yl]-4-oxidanyl-6-oxidanylidene-1H-pyrimidine-5-carboxamide, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Phosphopantetheine adenylyltransferase | | Authors: | Lahiri, S.D. | | Deposit date: | 2013-10-22 | | Release date: | 2014-03-12 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | Discovery of Inhibitors of 4'-Phosphopantetheine Adenylyltransferase (PPAT) To Validate PPAT as a Target for Antibacterial Therapy.
Antimicrob.Agents Chemother., 57, 2013
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5CFI
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4AGG
 | | Structure of a tetrameric galectin from Cinachyrella sp. (Ball sponge) | | Descriptor: | CHLORIDE ION, GALECTIN | | Authors: | Freymann, D.M, Focia, P.J, Sakai, R, Swanson, G.T. | | Deposit date: | 2012-01-27 | | Release date: | 2012-08-29 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.98 Å) | | Cite: | Structure of a Tetrameric Galectin from Cinachyrella Sp. (Ball Sponge).
Acta Crystallogr.,Sect.D, 68, 2012
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6KB1
 | | X-ray structure of human PPARalpha ligand binding domain-tetradecylthioacetic acid (TTA) co-crystals obtained by soaking | | Descriptor: | 2-tetradecylsulfanylethanoic acid, GLYCEROL, Peroxisome proliferator-activated receptor alpha | | Authors: | Kamata, S, Suda, K, Saito, K, Oyama, T, Ishii, I. | | Deposit date: | 2019-06-24 | | Release date: | 2020-11-11 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | PPAR alpha Ligand-Binding Domain Structures with Endogenous Fatty Acids and Fibrates.
Iscience, 23, 2020
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5H16
 | | Crystal structure of the complex of Phosphopantetheine adenylyltransferase from Acinetobacter baumannii with citrate at 2.3 A resolution. | | Descriptor: | CITRIC ACID, Phosphopantetheine adenylyltransferase | | Authors: | Gupta, A, Singh, P.K, Kaur, P, Sharma, S, Singh, T.P. | | Deposit date: | 2016-10-08 | | Release date: | 2016-11-09 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structure of the complex of Phosphopantetheine adenylyltransferase from Acinetobacter baumannii at 2.3 A resolution.
To Be Published
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3FIW
 | | Structure of SCO0253, a Tetr-family transcriptional regulator from Streptomyces coelicolor | | Descriptor: | DI(HYDROXYETHYL)ETHER, Putative tetR-family transcriptional regulator | | Authors: | Singer, A.U, Xu, X, Chang, C, Gu, J, Edwards, A.M, Joachimiak, A, Savchenko, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2008-12-12 | | Release date: | 2009-01-13 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure of SCO0253, a Tetr-family transcriptional regulator from Streptomyces coelicolor
To be Published
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