4QSF
 
 | | CRYSTAL STRUCTURE of AMIDOHYDROLASE PMI1525 (TARGET EFI-500319) FROM PROTEUS MIRABILIS HI4320, A COMPLEX WITH BUTYRIC ACID AND MANGANESE | | Descriptor: | Amidohydrolase Pmi1525, MANGANESE (II) ION, SULFATE ION, ... | | Authors: | Patskovsky, Y, Toro, R, Xiang, D.F, Raushel, F.M, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2014-07-03 | | Release date: | 2014-07-30 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Crystal Structure of Amidohydrolase Pmi1525 from Proteus Mirabilis Hi4320
To be Published
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5CYB
 | | Structure of a lipocalin lipoprotein affecting virulence in Streptococcus pneumoniae | | Descriptor: | ACETATE ION, CALCIUM ION, GLYCEROL, ... | | Authors: | Carrasco-Lopez, C, Abdullah, M.R, Hammerschmidt, S, Hermoso, J.A. | | Deposit date: | 2015-07-30 | | Release date: | 2016-09-14 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Unraveling the function and structure of a lipocalin lipoprotein affecting virulence in Streptococcus pneumoniae
To Be Published
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7AZR
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7AZQ
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4R6H
 | | Crystal structure of putative binding protein msme from bacillus subtilis subsp. subtilis str. 168, target efi-510764, an open conformation | | Descriptor: | CHLORIDE ION, Solute binding protein MsmE | | Authors: | Patskovsky, Y, Toro, R, Bhosle, R, Al obaidi, N, Chamala, S, Attonito, J.D, Scott glenn, A, Chowdhury, S, Lafleur, J, Siedel, R.D, Hillerich, B, Love, J, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2014-08-25 | | Release date: | 2014-09-10 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Crystal Structure of Transporter Msme from Bacillus Subtilis, Target Efi-510764
To be Published
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7B0M
 | | Sugar transaminase from a metagenome collected from troll oil field production water | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Sugar aminotransferase, ... | | Authors: | Littlechild, J.A, De Rose, S.A, Isupov, M.N, Sayer, C, Karki, S. | | Deposit date: | 2020-11-20 | | Release date: | 2021-12-01 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.43 Å) | | Cite: | Sugar transaminases from hot environments
To Be Published
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5D55
 | | Crystal structure of the E. coli Hda pilus minor tip subunit, HdaB | | Descriptor: | CITRATE ANION, HdaB,HdaA (Adhesin), HUS-associated diffuse adherence, ... | | Authors: | Lee, W.-C, Garnett, J.A, Matthews, S.J. | | Deposit date: | 2015-08-10 | | Release date: | 2016-08-10 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure and analysis of HdaB: The enteroaggregative Escherichia coli AAF/IV pilus tip protein.
Protein Sci., 25, 2016
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7B0D
 | | Sugar transaminase from Archaeoglobus veneficus | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, ... | | Authors: | James, P, Littlechild, J.A, De Rose, S.A, Isupov, M.N. | | Deposit date: | 2020-11-19 | | Release date: | 2021-12-01 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.27 Å) | | Cite: | Sugar transaminases from hot environments
To Be Published
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7T6C
 | | E. coli dihydroorotate dehydrogenase bound to the ubiquinone surrogate DCIP | | Descriptor: | 2,6-bis(chloranyl)-4-[(4-hydroxyphenyl)amino]phenol, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, Dihydroorotate dehydrogenase (quinone), ... | | Authors: | Horwitz, S.M, Ambarian, J.A, Davis, K.M. | | Deposit date: | 2021-12-13 | | Release date: | 2022-03-02 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.53 Å) | | Cite: | Structural insights into inhibition of the drug target dihydroorotate dehydrogenase by bacterial hydroxyalkylquinolines.
Rsc Chem Biol, 3, 2022
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8SH5
 | | Crystal structure of 3'cap-independent translation enhancers (CITE) from Pea enation mosaic virus RNA 2 (PEMV2) with Fab BL3-6K170A | | Descriptor: | Fab BL3-6K170A heavy chain, Fab BL3-6K170A light chain, RNA (88-MER) | | Authors: | Lewicka, A, Roman, C, Rice, P.A, Piccirilli, J.A. | | Deposit date: | 2023-04-13 | | Release date: | 2023-08-16 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Crystal structure of a cap-independent translation enhancer RNA.
Nucleic Acids Res., 51, 2023
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7T5K
 | | E. coli dihydroorotate dehydrogenase bound to the inhibitor HQNO | | Descriptor: | 2-HEPTYL-4-HYDROXY QUINOLINE N-OXIDE, Dihydroorotate dehydrogenase (quinone), FLAVIN MONONUCLEOTIDE, ... | | Authors: | Horwitz, S.M, Ambarian, J.A, Davis, K.M. | | Deposit date: | 2021-12-12 | | Release date: | 2022-03-02 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Structural insights into inhibition of the drug target dihydroorotate dehydrogenase by bacterial hydroxyalkylquinolines.
Rsc Chem Biol, 3, 2022
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7T6H
 | | E. coli dihydroorotate dehydrogenase | | Descriptor: | Dihydroorotate dehydrogenase (quinone), FLAVIN MONONUCLEOTIDE, OROTIC ACID | | Authors: | Horwitz, S.M, Ambarian, J.A, Davis, K.M. | | Deposit date: | 2021-12-13 | | Release date: | 2022-03-02 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.42 Å) | | Cite: | Structural insights into inhibition of the drug target dihydroorotate dehydrogenase by bacterial hydroxyalkylquinolines.
Rsc Chem Biol, 3, 2022
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7B4T
 | | Broadly neutralizing DARPin bnD.1 in complex with the HIV-1 envelope variable loop 3 crown mimetic peptide V3-IF (BG505) | | Descriptor: | Broadly neutralizing DARPin bnD.1, HIV-1 envelope variable loop 3 crown mimetic peptide V3-IF (BG505), SULFATE ION | | Authors: | Friedrich, N, Stiegeler, E, Glogl, M, Lemmin, T, Hansen, S, Kadelka, C, Wu, Y, Ernst, P, Maliqi, L, Foulkes, C, Morin, M, Eroglu, M, Liechti, T, Ivan, B, Reinberg, T, Schaefer, J, Karakus, U, Ursprung, S, Mann, A, Rusert, P, Kouyos, R.D, Robinson, J.A, Gunthard, H.F, Pluckthun, A, Trkola, A. | | Deposit date: | 2020-12-02 | | Release date: | 2021-11-24 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Distinct conformations of the HIV-1 V3 loop crown are targetable for broad neutralization.
Nat Commun, 12, 2021
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7B4U
 | | Broadly neutralizing DARPin bnD.2 in complex with the HIV-1 envelope variable loop 3 crown mimetic peptide V3-IF (BG505) | | Descriptor: | Broadly neutralizing DARPin bnD.2, CALCIUM ION, HIV-1 envelope variable loop 3 crown mimetic peptide V3-IF (BG505) | | Authors: | Friedrich, N, Stiegeler, E, Glogl, M, Lemmin, T, Hansen, S, Kadelka, C, Wu, Y, Ernst, P, Maliqi, L, Foulkes, C, Morin, M, Eroglu, M, Liechti, T, Ivan, B, Reinberg, T, Schaefer, J, Karakus, U, Ursprung, S, Mann, A, Rusert, P, Kouyos, R.D, Robinson, J.A, Gunthard, H.F, Pluckthun, A, Trkola, A. | | Deposit date: | 2020-12-02 | | Release date: | 2021-11-24 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Distinct conformations of the HIV-1 V3 loop crown are targetable for broad neutralization.
Nat Commun, 12, 2021
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7T5Y
 | | E. coli dihydroorotate dehydrogenase bound to the inhibitor HMNQ | | Descriptor: | 3-methyl-2-[(2E)-non-2-en-1-yl]quinolin-4(1H)-one, Dihydroorotate dehydrogenase (quinone), FLAVIN MONONUCLEOTIDE, ... | | Authors: | Horwitz, S.M, Ambarian, J.A, Davis, K.M. | | Deposit date: | 2021-12-13 | | Release date: | 2022-03-02 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.62 Å) | | Cite: | Structural insights into inhibition of the drug target dihydroorotate dehydrogenase by bacterial hydroxyalkylquinolines.
Rsc Chem Biol, 3, 2022
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7B4V
 | | Broadly neutralizing DARPin bnD.2 in complex with the HIV-1 envelope variable loop 3 crown mimetic peptide V3-IF (BG505) | | Descriptor: | Broadly neutralizing DARPin bnD.2, CHLORIDE ION, HIV-1 envelope variable loop 3 crown mimetic peptide V3-IF (BG505), ... | | Authors: | Friedrich, N, Stiegeler, E, Glogl, M, Lemmin, T, Hansen, S, Kadelka, C, Wu, Y, Ernst, P, Maliqi, L, Foulkes, C, Morin, M, Eroglu, M, Liechti, T, Ivan, B, Reinberg, T, Schaefer, J, Karakus, U, Ursprung, S, Mann, A, Rusert, P, Kouyos, R.D, Robinson, J.A, Gunthard, H.F, Pluckthun, A, Trkola, A. | | Deposit date: | 2020-12-02 | | Release date: | 2021-11-24 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Distinct conformations of the HIV-1 V3 loop crown are targetable for broad neutralization.
Nat Commun, 12, 2021
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7B4W
 | | Broadly neutralizing DARPin bnD.3 in complex with the HIV-1 envelope variable loop 3 crown mimetic peptide V3-IF (BG505) | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Broadly neutralizing DARPin bnD.3, ... | | Authors: | Friedrich, N, Stiegeler, E, Glogl, M, Lemmin, T, Hansen, S, Kadelka, C, Wu, Y, Ernst, P, Maliqi, L, Foulkes, C, Morin, M, Eroglu, M, Liechti, T, Ivan, B, Reinberg, T, Schaefer, J, Karakus, U, Ursprung, S, Mann, A, Rusert, P, Kouyos, R.D, Robinson, J.A, Gunthard, H.F, Pluckthun, A, Trkola, A. | | Deposit date: | 2020-12-02 | | Release date: | 2021-11-24 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Distinct conformations of the HIV-1 V3 loop crown are targetable for broad neutralization.
Nat Commun, 12, 2021
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4R4V
 | | Crystal structure of the VS ribozyme - G638A mutant | | Descriptor: | MAGNESIUM ION, POTASSIUM ION, VS ribozyme RNA | | Authors: | Piccirilli, J.A, Suslov, N.B, Dasgupta, S, Huang, H, Lilley, D.M.J, Rice, P.A. | | Deposit date: | 2014-08-19 | | Release date: | 2015-09-30 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.07 Å) | | Cite: | Crystal structure of the Varkud satellite ribozyme.
Nat.Chem.Biol., 11, 2015
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5DBQ
 | | Crystal structure of insect thioredoxin at 1.95 Angstroms | | Descriptor: | Thioredoxin | | Authors: | Klinke, S, Tejedor, M.D, Cerutti, M.L, Giacometti, R, Otero, L.H, Goldbaum, F.A, Zavala, J.A, Wolosiuk, R.A, Pagano, E.A. | | Deposit date: | 2015-08-21 | | Release date: | 2016-08-24 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Crystal structure of insect thioredoxin at 1.95 Angstroms
To Be Published
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1Z71
 | | thrombin and P2 pyridine N-oxide inhibitor complex structure | | Descriptor: | Hirudin IIIB', L17, thrombin | | Authors: | Nantermet, P.G, Burgey, C.S, Robinson, K.A, Pellicore, J.M, Newton, C.L, Deng, J.Z, Lyle, T.A, Selnick, H.G, Lewis, S.D, Lucas, B.J, Krueger, J.A, Miller-Stein, C, White, R.B, Wong, B, McMasters, D.R, Wallace, A.A, Lynch Jr, J.J, Yan, Y, Chen, Z, Kuo, L, Gardell, S.J, Shafer, J.A, Vacca, J.P. | | Deposit date: | 2005-03-23 | | Release date: | 2005-05-17 | | Last modified: | 2017-10-11 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | P(2) pyridine N-oxide thrombin inhibitors: a novel peptidomimetic scaffold
BIOORG.MED.CHEM.LETT., 15, 2005
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8AMT
 | | OBD-RepB pMV158 domain | | Descriptor: | CHLORIDE ION, GLYCEROL, MANGANESE (II) ION, ... | | Authors: | Machon, C, Amodio, J, Boer, R.D, Ruiz-Maso, J.A, del Solar, G, Coll, M. | | Deposit date: | 2022-08-04 | | Release date: | 2023-02-08 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structures of pMV158 replication initiator RepB with and without DNA reveal a flexible dual-function protein.
Nucleic Acids Res., 51, 2023
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8AMV
 | | RepB pMV158 hexamer | | Descriptor: | PHOSPHATE ION, Replication protein RepB, SODIUM ION | | Authors: | Machon, C, Amodio, J, Boer, R.D, Ruiz-Maso, J.A, del Solar, G, Coll, M. | | Deposit date: | 2022-08-04 | | Release date: | 2023-02-08 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.77 Å) | | Cite: | Structures of pMV158 replication initiator RepB with and without DNA reveal a flexible dual-function protein.
Nucleic Acids Res., 51, 2023
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8AMU
 | | RepB pMV158 OBD domain bound to DDR region | | Descriptor: | DNA (5'-D(*AP*AP*AP*AP*GP*TP*CP*GP*CP*CP*GP*AP*AP*AP*AP*GP*TP*CP*GP*CP*CP*GP*A)-3'), DNA (5'-D(*TP*CP*GP*GP*CP*GP*AP*CP*TP*TP*TP*TP*CP*GP*GP*CP*GP*AP*CP*TP*TP*TP*T)-3'), MANGANESE (II) ION, ... | | Authors: | Amodio, J, Machon, C, Boer, R.D, Ruiz-Maso, J.A, del Solar, G, Coll, M. | | Deposit date: | 2022-08-04 | | Release date: | 2023-02-08 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structures of pMV158 replication initiator RepB with and without DNA reveal a flexible dual-function protein.
Nucleic Acids Res., 51, 2023
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7SO6
 | | Crystal Structure of HIV-1 K103N, Y181C mutant Reverse Transcriptase in Complex with 5-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)-7-fluoro-2-naphthonitrile (JLJ635), a Non-nucleoside Inhibitor | | Descriptor: | 5-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}-7-fluoronaphthalene-2-carbonitrile, MAGNESIUM ION, Reverse transcriptase/ribonuclease H, ... | | Authors: | Bertoletti, N, Frey, K.M, Anderson, K.S, Cisneros Trigo, J.A, Jorgensen, W.L, Chan, A.H. | | Deposit date: | 2021-10-29 | | Release date: | 2022-03-16 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.79 Å) | | Cite: | Structural Studies and Structure Activity Relationships for Novel Computationally Designed Non-nucleoside Inhibitors and Their Interactions With HIV-1 Reverse Transcriptase.
Front Mol Biosci, 9, 2022
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5DIG
 | | Crystal Structure of the ER-alpha Ligand-binding Domain in complex with a trifluoromethyl-substituted A-CD ring estrogen derivative (1S,3aR,5S,7aS)-5-[4-hydroxy-2-(trifluoromethyl)phenyl]-7a-methyloctahydro-1H-inden-1-ol | | Descriptor: | (1S,3aR,5S,7aS)-5-[4-hydroxy-2-(trifluoromethyl)phenyl]-7a-methyloctahydro-1H-inden-1-ol, Estrogen receptor, Nuclear receptor coactivator 2 | | Authors: | Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W. | | Deposit date: | 2015-09-01 | | Release date: | 2016-05-04 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.24 Å) | | Cite: | Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
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