3ZFZ
 
 | | Crystal structure of ceftaroline acyl-PBP2a from MRSA with non- covalently bound ceftaroline and muramic acid at allosteric site obtained by soaking | | Descriptor: | CADMIUM ION, CHLORIDE ION, Ceftaroline, ... | | Authors: | Otero, L.H, Rojas-Altuve, A, Hermoso, J.A. | | Deposit date: | 2012-12-13 | | Release date: | 2013-10-09 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | How Allosteric Control of Staphylococcus Aureus Penicillin Binding Protein 2A Enables Methicillin Resistance and Physiological Function
Proc.Natl.Acad.Sci.USA, 110, 2013
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7JWR
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7JX2
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5E7I
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7JWD
 | | Cellular retinol-binding protein 2 (CRBP2) in complex with 2-linoleoylglycerol | | Descriptor: | 1,3-dihydroxypropan-2-yl (9Z,12Z)-octadeca-9,12-dienoate, Retinol-binding protein 2 | | Authors: | Silvaroli, J.A, Banarjee, S, Golczak, M. | | Deposit date: | 2020-08-25 | | Release date: | 2021-03-10 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.35000193 Å) | | Cite: | Molecular basis for the interaction of cellular retinol binding protein 2 (CRBP2) with nonretinoid ligands.
J.Lipid Res., 62, 2021
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7K3I
 | | Cellular retinol-binding protein 2 (CRBP2) in complex with 2-lauroylglycerol | | Descriptor: | 1,3-dihydroxypropan-2-yl dodecanoate, Retinol-binding protein 2 | | Authors: | Adams, C, Silvaroli, J.A, Banarjee, S, Golczak, M. | | Deposit date: | 2020-09-11 | | Release date: | 2021-03-10 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Molecular basis for the interaction of cellular retinol binding protein 2 (CRBP2) with nonretinoid ligands.
J.Lipid Res., 62, 2021
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5DMF
 | | Crystal Structure of the ER-alpha Ligand-binding Domain in complex with a 4-fluorophenylamino-substituted, methyl triaryl-ethylene derivative 4,4'-(2-{3-[(4-fluorophenyl)amino]phenyl}prop-1-ene-1,1-diyl)diphenol | | Descriptor: | 4,4'-(2-{3-[(4-fluorophenyl)amino]phenyl}prop-1-ene-1,1-diyl)diphenol, 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: | 2015-09-08 | | Release date: | 2016-05-04 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
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5E8E
 | | Crystal structure of thrombin bound to an exosite 1-specific IgA Fab | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CITRIC ACID, D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, ... | | Authors: | Baglin, T.P, Langdown, J, Frasson, R, Huntington, J.A. | | Deposit date: | 2015-10-14 | | Release date: | 2015-10-28 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Discovery and characterization of an antibody directed against exosite I of thrombin.
J.Thromb.Haemost., 14, 2016
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3GJD
 | | Crystal Structure of LeuT with bound OG | | Descriptor: | CHLORIDE ION, LEUCINE, SODIUM ION, ... | | Authors: | Winther, A.M.L, Quick, M, Javitch, J.A, Nissen, P. | | Deposit date: | 2009-03-08 | | Release date: | 2009-04-28 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Binding of an octylglucoside detergent molecule in the second substrate (S2) site of LeuT establishes an inhibitor-bound conformation
Proc.Natl.Acad.Sci.USA, 106, 2009
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5DUH
 | | Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with a Sulfoxide-bridged Oxabicyclic Heptene Sulfonate (SOBHS)-3 analog phenyl (1S,2S,4S,7S)-5,6-bis(4-hydroxy-3-methylphenyl)-7-thiabicyclo[2.2.1]hept-5-ene-2-sulfonate 7-oxide | | Descriptor: | Estrogen receptor, Nuclear receptor coactivator 2, phenyl (1S,2S,4S,7S)-5,6-bis(4-hydroxy-3-methylphenyl)-7-thiabicyclo[2.2.1]hept-5-ene-2-sulfonate 7-oxide | | 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: | 2015-09-18 | | 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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3GDT
 | | Crystal structure of the D91N mutant of the orotidine 5'-monophosphate decarboxylase from Saccharomyces cerevisiae complexed with 6-azauridine 5'-monophosphate | | Descriptor: | 6-AZA URIDINE 5'-MONOPHOSPHATE, Orotidine 5'-phosphate decarboxylase | | Authors: | Fedorov, A.A, Fedorov, E.V, Wood, B.M, Gerlt, J.A, Almo, S.C. | | Deposit date: | 2009-02-24 | | Release date: | 2009-06-23 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Mechanism of the orotidine 5'-monophosphate decarboxylase-catalyzed reaction: evidence for substrate destabilization.
Biochemistry, 48, 2009
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3GDM
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5DTE
 | | Crystal Structure of an ABC transporter periplasmic solute binding protein (IPR025997) from Actinobacillus succinogenes 130z(Asuc_0081, TARGET EFI-511065) with bound D-allose | | Descriptor: | Monosaccharide-transporting ATPase, beta-D-allopyranose | | Authors: | Yadava, U, Vetting, M.W, Al Obaidi, N.F, Toro, R, Morisco, L.L, Benach, J, Koss, J, Wasserman, S.R, Attonito, J.D, Scott Glenn, A, Chamala, S, Chowdhury, S, Lafleur, J, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2015-09-18 | | Release date: | 2015-10-07 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystal Structure of an ABC transporter periplasmic solute binding protein (IPR025997) from Actinobacillus succinogenes 130z(Asuc_0081, TARGET EFI-511065) with bound D-allose
To be published
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5DZ1
 | | Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with the Cyclofenil Derivative 4,4'-[(4-ethylcyclohexylidene)methanediyl]diphenol | | Descriptor: | 4,4'-[(4-ethylcyclohexylidene)methanediyl]diphenol, 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: | 2015-09-25 | | Release date: | 2016-05-04 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
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5DUG
 | | Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with a Sulfoxide-bridged Oxabicyclic Heptene Sulfonate (SOBHS)-2 analog phenyl (1S,2S,4S,7S)-5,6-bis(4-hydroxy-2-methylphenyl)-7-thiabicyclo[2.2.1]hept-5-ene-2-sulfonate 7-oxide | | Descriptor: | Estrogen receptor, Nuclear receptor coactivator 2, phenyl (1S,2S,4S,7S)-5,6-bis(4-hydroxy-2-methylphenyl)-7-thiabicyclo[2.2.1]hept-5-ene-2-sulfonate 7-oxide | | 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: | 2015-09-18 | | Release date: | 2016-05-04 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.252 Å) | | Cite: | Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
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3GIS
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3ZT9
 | | The bacterial stressosome: a modular system that has been adapted to control secondary messenger signaling | | Descriptor: | DI(HYDROXYETHYL)ETHER, MANGANESE (II) ION, SERINE PHOSPHATASE | | Authors: | Quin, M.B, Berrisford, J.M, Newman, J.A, Basle, A, Lewis, R.J, Marles-Wright, J. | | Deposit date: | 2011-07-06 | | Release date: | 2012-02-22 | | Last modified: | 2018-10-24 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | The Bacterial Stressosome: A Modular System that Has Been Adapted to Control Secondary Messenger Signaling.
Structure, 20, 2012
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3ZLF
 | | Structure of group A Streptococcal enolase K312A mutant | | Descriptor: | ENOLASE, PHOSPHATE ION | | Authors: | Cork, A.J, Ericsson, D.J, Law, R.H.P, Casey, L.W, Valkov, E, Bertozzi, C, Stamp, A, Aquilina, J.A, Whisstock, J.C, Walker, M.J, Kobe, B. | | Deposit date: | 2013-01-31 | | Release date: | 2014-02-05 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Stability of the Octameric Structure Affects Plasminogen-Binding Capacity of Streptococcal Enolase.
Plos One, 10, 2015
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3ZH3
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5DXM
 | | Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with the Cyclofenil Derivative 3-[(E)-(1s,5s)-bicyclo[3.3.1]non-9-ylidene(4-hydroxyphenyl)methyl]phenol | | Descriptor: | 3-[(E)-(1s,5s)-bicyclo[3.3.1]non-9-ylidene(4-hydroxyphenyl)methyl]phenol, 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: | 2015-09-23 | | Release date: | 2016-05-04 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.37 Å) | | Cite: | Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
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3GJC
 | | Crystal Structure of the E290S mutant of LeuT with bound OG | | Descriptor: | LEUCINE, SODIUM ION, Transporter, ... | | Authors: | Winther, A.M.L, Quick, M, Javitch, J.A, Nissen, P. | | Deposit date: | 2009-03-08 | | Release date: | 2009-04-28 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Binding of an octylglucoside detergent molecule in the second substrate (S2) site of LeuT establishes an inhibitor-bound conformation
Proc.Natl.Acad.Sci.USA, 106, 2009
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5E3F
 | | Crystal structure of Staphylococcal nuclease variant Delta+PHS I92K at cryogenic temperature | | Descriptor: | CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease | | Authors: | Skerritt, L.A, Caro, J.A, Heroux, A, Schlessman, J.L, Garcia-Moreno E, B. | | Deposit date: | 2015-10-02 | | Release date: | 2015-10-14 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Crystal structure of Staphylococcal nuclease variant Delta+PHS I92K at cryogenic temperature
To be Published
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3GP6
 | | Crystal structure of PagP in SDS/MPD | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, DODECYL SULFATE, ... | | Authors: | Cuesta-Seijo, J.A, Prive, G.G. | | Deposit date: | 2009-03-20 | | Release date: | 2010-06-23 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | PagP crystallized from SDS/cosolvent reveals the route for phospholipid access to the hydrocarbon ruler.
Structure, 18, 2010
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3ZG5
 | | Crystal structure of PBP2a from MRSA in complex with peptidoglycan analogue at allosteric | | Descriptor: | CADMIUM ION, CHLORIDE ION, PEPTIDOGLYCAN ANALOGUE, ... | | Authors: | Otero, L.H, Rojas-Altuve, A, Hermoso, J.A. | | Deposit date: | 2012-12-14 | | Release date: | 2013-10-09 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | How Allosteric Control of Staphylococcus Aureus Penicillin Binding Protein 2A Enables Methicillin Resistance and Physiological Function
Proc.Natl.Acad.Sci.USA, 110, 2013
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3GX4
 | | Crystal Structure Analysis of S. Pombe ATL in complex with DNA | | Descriptor: | Alkyltransferase-like protein 1, COBALT HEXAMMINE(III), DNA (5'-D(*CP*TP*AP*CP*TP*AP*GP*CP*CP*AP*TP*GP*G)-3'), ... | | Authors: | Tubbs, J.L, Arvai, A.S, Tainer, J.A. | | Deposit date: | 2009-04-01 | | Release date: | 2009-06-09 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Flipping of alkylated DNA damage bridges base and nucleotide excision repair.
Nature, 459, 2009
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