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7S5J
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BU of 7s5j by Molmil
Solution NMR structure of substrate bound peptidase domain from PCAT1
Descriptor: CtA peptide, Peptidase C39
Authors:Bhattacharya, S, Palillo, A.
Deposit date:2021-09-10
Release date:2021-12-29
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural and dynamic studies of the peptidase domain from Clostridium thermocellum PCAT1.
Protein Sci., 31, 2022
8IWV
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BU of 8iwv by Molmil
Crystal structure of BlaA-1 APO
Descriptor: Beta-lactamase, PHOSPHATE ION
Authors:Bhattacharya, S, Hazra, S.
Deposit date:2023-03-31
Release date:2024-04-03
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of BlaA-1 APO
To be published
8IX8
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BU of 8ix8 by Molmil
Crystal structure of Class A beta-lactamase BlaA WT - complex with Tebipenem
Descriptor: (4R,5S)-3-(1-(4,5-dihydrothiazol-2-yl)azetidin-3-ylthio)-5-((2S,3R)-3-hydroxy-1-oxobutan-2-yl)-4-methyl-4,5- dihydro-1H-pyrrole-2-carboxylic acid, Beta-lactamase, PHOSPHATE ION
Authors:Bhattacharya, S, Hazra, S.
Deposit date:2023-03-31
Release date:2024-04-03
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structure of Class A beta-lactamase BlaA WT - complex with Tebipenem
To be published
8IXX
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BU of 8ixx by Molmil
Crystal structure of Class A beta-lactamase BlaA WT - complex with Ertapenem
Descriptor: (4R,5S)-3-({(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl}sulfanyl)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-4-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid, Beta-lactamase, PHOSPHATE ION
Authors:Bhattacharya, S, Hazra, S.
Deposit date:2023-04-03
Release date:2024-04-03
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of Class A beta-lactamase BlaA WT - complex with Ertapenem
To be published
8IY4
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BU of 8iy4 by Molmil
Crystal structure of Class A beta-lactamase BlaA WT - complex with Meropenem
Descriptor: (4R,5S)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-4,5-d ihydro-1H-pyrrole-2-carboxylic acid, Beta-lactamase, PHOSPHATE ION
Authors:Bhattacharya, S, Hazra, S.
Deposit date:2023-04-03
Release date:2024-04-03
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of Class A beta-lactamase BlaA WT - complex with Meropenem
To be published
8CMV
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BU of 8cmv by Molmil
Engineered PETase enzyme from LCC - C09 mutant
Descriptor: GLYCEROL, ISOPROPYL ALCOHOL, Leaf-branch compost cutinase
Authors:Bhattacharya, S, Estiri, H, Castagna, R, Parisini, E.
Deposit date:2023-02-21
Release date:2024-03-06
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.28 Å)
Cite:Development of a highly active engineered PETase enzyme for polyester degradation
Biorxiv, 2024
6LXP
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BU of 6lxp by Molmil
TvCyP2 in apo form 2
Descriptor: Peptidyl-prolyl cis-trans isomerase
Authors:Aryal, S, Chen, C, Hsu, C.H.
Deposit date:2020-02-11
Release date:2020-09-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:N-Terminal Segment of TvCyP2 Cyclophilin fromTrichomonas vaginalisIs Involved in Self-Association, Membrane Interaction, and Subcellular Localization.
Biomolecules, 10, 2020
6LXO
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BU of 6lxo by Molmil
TvCyP2 in apo form 1
Descriptor: GLYCEROL, Peptidyl-prolyl cis-trans isomerase, SULFATE ION
Authors:Aryal, S, Chen, C, Hsu, C.H.
Deposit date:2020-02-11
Release date:2020-09-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:N-Terminal Segment of TvCyP2 Cyclophilin fromTrichomonas vaginalisIs Involved in Self-Association, Membrane Interaction, and Subcellular Localization.
Biomolecules, 10, 2020
6LXR
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BU of 6lxr by Molmil
TvCyP2 in apo form 4
Descriptor: Peptidyl-prolyl cis-trans isomerase
Authors:Aryal, S, Chen, C, Hsu, C.H.
Deposit date:2020-02-11
Release date:2020-09-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.56 Å)
Cite:N-Terminal Segment of TvCyP2 Cyclophilin fromTrichomonas vaginalisIs Involved in Self-Association, Membrane Interaction, and Subcellular Localization.
Biomolecules, 10, 2020
6LXQ
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BU of 6lxq by Molmil
TvCyP2 in apo form 3
Descriptor: GLYCEROL, PHOSPHATE ION, Peptidyl-prolyl cis-trans isomerase
Authors:Aryal, S, Chen, C, Hsu, C.H.
Deposit date:2020-02-11
Release date:2020-09-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:N-Terminal Segment of TvCyP2 Cyclophilin fromTrichomonas vaginalisIs Involved in Self-Association, Membrane Interaction, and Subcellular Localization.
Biomolecules, 10, 2020
4OY2
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BU of 4oy2 by Molmil
Crystal structure of TAF1-TAF7, a TFIID subcomplex
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Transcription initiation factor TFIID subunit 1, Transcription initiation factor TFIID subunit 7, ...
Authors:Bhattacharya, S, Lou, X, Rajashankar, K, Jacobson, R.H, Webb, P.
Deposit date:2014-02-10
Release date:2014-06-25
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural and functional insight into TAF1-TAF7, a subcomplex of transcription factor II D.
Proc.Natl.Acad.Sci.USA, 111, 2014
4O8G
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BU of 4o8g by Molmil
Structure of Infrared Fluorescent Protein 1.4
Descriptor: 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium -2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3- yl]propanoic acid, 3-[2-[(Z)-[5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-pyrrol-1-ium-2-ylidene]methyl]-5-[(Z)-[(3E,4R)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid, Bacteriophytochrome
Authors:Bhattacharya, S, Forest, K.T.
Deposit date:2013-12-27
Release date:2014-10-01
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.652 Å)
Cite:Origins of fluorescence in evolved bacteriophytochromes.
J.Biol.Chem., 289, 2014
1PSB
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BU of 1psb by Molmil
Solution structure of calcium loaded S100B complexed to a peptide from N-Terminal regulatory domain of NDR kinase.
Descriptor: Ndr Ser/Thr kinase-like protein, S-100 protein, beta chain
Authors:Bhattacharya, S, Large, E, Heizmann, C.W, Hemmings, B, Chazin, W.J.
Deposit date:2003-06-21
Release date:2003-12-16
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Structure of the Ca(2+)/S100B/NDR Kinase Peptide Complex: Insights into S100 Target Specificity and Activation of the Kinase.
Biochemistry, 42, 2003
2WAL
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BU of 2wal by Molmil
Crystal Structure of human GADD45gamma
Descriptor: GROWTH ARREST AND DNA-DAMAGE-INDUCIBLE PROTEIN GADD45 GAMMA, MALONIC ACID
Authors:Bhattacharya, S, Mueller, J.J, Roske, Y, Turnbull, A.P, Quedenau, C, Goetz, F, Buessow, K, Heinemann, U.
Deposit date:2009-02-09
Release date:2009-03-03
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The Crystal Structure of Human Gadd45Gamma
To be Published
1YSM
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BU of 1ysm by Molmil
NMR Structure of N-terminal domain (Residues 1-77) of Siah-Interacting Protein.
Descriptor: Calcyclin-binding protein
Authors:Bhattacharya, S, Lee, Y.T, Michowski, W, Jastrzebska, B, Filipek, A, Kuznicki, J, Chazin, W.J.
Deposit date:2005-02-08
Release date:2005-07-26
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:The Modular Structure of SIP Facilitates Its Role in Stabilizing Multiprotein Assemblies.
Biochemistry, 44, 2005
7N87
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BU of 7n87 by Molmil
Solution NMR structure of peptidase domain from Clostridium thermocellum PCAT1
Descriptor: ABC-type bacteriocin transporter
Authors:Bhattacharya, S, Palillo, A.
Deposit date:2021-06-13
Release date:2021-12-29
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural and dynamic studies of the peptidase domain from Clostridium thermocellum PCAT1.
Protein Sci., 31, 2022
2L6E
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BU of 2l6e by Molmil
NMR Structure of the monomeric mutant C-terminal domain of HIV-1 Capsid in complex with stapled peptide Inhibitor
Descriptor: Capsid protein p24, NYAD-13 stapled peptide inhibitor
Authors:Bhattacharya, S, Zhang, H, Debnath, A.K, Cowburn, D.
Deposit date:2010-11-18
Release date:2010-12-29
Last modified:2024-10-16
Method:SOLUTION NMR
Cite:Solution structure of a hydrocarbon stapled peptide inhibitor in complex with monomeric C-terminal domain of HIV-1 capsid.
J.Biol.Chem., 283, 2008
2KRG
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BU of 2krg by Molmil
Solution Structure of human sodium/ hydrogen exchange regulatory factor 1(150-358)
Descriptor: Na(+)/H(+) exchange regulatory cofactor NHE-RF1
Authors:Bhattacharya, S, Dai, Z, Li, J, Baxter, S, Callaway, D.J.E, Cowburn, D, Bu, Z.
Deposit date:2009-12-17
Release date:2009-12-29
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:A conformational switch in the scaffolding protein NHERF1 controls autoinhibition and complex formation.
J.Biol.Chem., 285, 2010
2NXP
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BU of 2nxp by Molmil
Structure of NTD2 domain of the human TAF5 subunit of TFIID
Descriptor: CALCIUM ION, Transcription initiation factor TFIID subunit 5
Authors:Bhattacharya, S, Takada, S, Jacobson, R.H.
Deposit date:2006-11-17
Release date:2007-01-09
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Structural analysis and dimerization potential of the human TAF5 subunit of TFIID.
Proc.Natl.Acad.Sci.Usa, 104, 2007
2KJD
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BU of 2kjd by Molmil
Solution structure of extended PDZ2 domain from NHERF1 (150-270)
Descriptor: Sodium/hydrogen exchange regulatory cofactor NHE-RF1
Authors:Bhattacharya, S, Cowburn, D, Bu, Z.
Deposit date:2009-05-27
Release date:2009-12-29
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:A dynamic intramolecular conformational switch autoregulates the scaffolding protein NHERF1
To be Published
2M0V
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BU of 2m0v by Molmil
Complex structure of C-terminal CFTR peptide and extended PDZ2 domain from NHERF1
Descriptor: C-terminal CFTR peptide, Na(+)/H(+) exchange regulatory cofactor NHE-RF1
Authors:Bhattacharya, S, Ju, J.H, Cowburn, D, Bu, Z.
Deposit date:2012-11-06
Release date:2013-04-24
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Ligand-Induced Dynamic Changes in Extended PDZ Domains from NHERF1.
J.Mol.Biol., 425, 2013
2M0T
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BU of 2m0t by Molmil
Structural characterization of the extended PDZ1 domain from NHERF1
Descriptor: Na(+)/H(+) exchange regulatory cofactor NHE-RF1
Authors:Bhattacharya, S, Ju, J.H, Cowburn, D, Bu, Z.
Deposit date:2012-11-06
Release date:2013-04-24
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Ligand-Induced Dynamic Changes in Extended PDZ Domains from NHERF1.
J.Mol.Biol., 425, 2013
2M0U
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BU of 2m0u by Molmil
Complex structure of C-terminal CFTR peptide and extended PDZ1 domain from NHERF1
Descriptor: C-terminal CFTR peptide, Na(+)/H(+) exchange regulatory cofactor NHE-RF1
Authors:Bhattacharya, S, Ju, J.H, Cowburn, D, Bu, Z.
Deposit date:2012-11-06
Release date:2013-04-24
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Ligand-Induced Dynamic Changes in Extended PDZ Domains from NHERF1.
J.Mol.Biol., 425, 2013
4ZRR
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BU of 4zrr by Molmil
Crystal Structure of Monomeric Bacteriophytochrome mutant D207L Y263F at 1.5 A resolution Using a home source.
Descriptor: 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium -2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3- yl]propanoic acid, 3-[2-[(Z)-[5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-pyrrol-1-ium-2-ylidene]methyl]-5-[(Z)-[(3E,4R)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid, Bacteriophytochrome, ...
Authors:Bhattacharya, S, Satyshur, K.A, Lehtivuori, H, Forest, K.T.
Deposit date:2015-05-12
Release date:2016-01-20
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Removal of Chromophore-Proximal Polar Atoms Decreases Water Content and Increases Fluorescence in a Near Infrared Phytofluor.
Front Mol Biosci, 2, 2015
4Z1W
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BU of 4z1w by Molmil
CRYSTAL STRUCTURE OF MONOMERIC BACTERIOPHYTOCHROME mutant D207L Y263F From Synchrotron
Descriptor: 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium -2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3- yl]propanoic acid, 3-[2-[(Z)-[5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-pyrrol-1-ium-2-ylidene]methyl]-5-[(Z)-[(3E,4R)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid, Bacteriophytochrome
Authors:Bhattacharya, S, Satyshur, K.A, Wangkanont, K, Lehtivuori, H, Forest, K.T.
Deposit date:2015-03-27
Release date:2016-01-20
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Removal of Chromophore-Proximal Polar Atoms Decreases Water Content and Increases Fluorescence in a Near Infrared Phytofluor.
Front Mol Biosci, 2, 2015

 

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