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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
Method:	X-RAY DIFFRACTION (1.5 Å)
Cite:	Crystal structure of Class A beta-lactamase BlaA WT - complex with Tebipenem To be published

8IWV

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

8IXX

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
Method:	X-RAY DIFFRACTION (1.7 Å)
Cite:	Crystal structure of Class A beta-lactamase BlaA WT - complex with Ertapenem To be published

8IY4

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
Method:	X-RAY DIFFRACTION (2 Å)
Cite:	Crystal structure of Class A beta-lactamase BlaA WT - complex with Meropenem To be published

8CMV

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
Method:	X-RAY DIFFRACTION (1.28 Å)
Cite:	Engineered PETase Enzyme To Be Published

1PSB

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:	2022-03-02
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

7S5J

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:	2022-02-23
Method:	SOLUTION NMR
Cite:	Structural and dynamic studies of the peptidase domain from Clostridium thermocellum PCAT1. Protein Sci., 31, 2022

7N87

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:	2022-02-23
Method:	SOLUTION NMR
Cite:	Structural and dynamic studies of the peptidase domain from Clostridium thermocellum PCAT1. Protein Sci., 31, 2022

4O8G

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:	2023-09-20
Method:	X-RAY DIFFRACTION (1.652 Å)
Cite:	Origins of fluorescence in evolved bacteriophytochromes. J.Biol.Chem., 289, 2014

4OY2

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:	2023-12-27
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

1YSM

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:	2022-03-02
Method:	SOLUTION NMR
Cite:	The Modular Structure of SIP Facilitates Its Role in Stabilizing Multiprotein Assemblies. Biochemistry, 44, 2005

2NXP

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:	2023-12-27
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

2WAL

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:	2015-04-22
Method:	X-RAY DIFFRACTION (2.4 Å)
Cite:	The Crystal Structure of Human Gadd45Gamma To be Published

2L6E

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:	2023-11-15
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

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:	2023-07-26
Method:	SOLUTION NMR
Cite:	A conformational switch in the scaffolding protein NHERF1 controls autoinhibition and complex formation. J.Biol.Chem., 285, 2010

2KJD

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:	2022-03-16
Method:	SOLUTION NMR
Cite:	A dynamic intramolecular conformational switch autoregulates the scaffolding protein NHERF1 To be Published

2M0T

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:	2023-06-14
Method:	SOLUTION NMR
Cite:	Ligand-Induced Dynamic Changes in Extended PDZ Domains from NHERF1. J.Mol.Biol., 425, 2013

2M0U

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:	2023-06-14
Method:	SOLUTION NMR
Cite:	Ligand-Induced Dynamic Changes in Extended PDZ Domains from NHERF1. J.Mol.Biol., 425, 2013

2M0V

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:	2013-07-17
Method:	SOLUTION NMR
Cite:	Ligand-Induced Dynamic Changes in Extended PDZ Domains from NHERF1. J.Mol.Biol., 425, 2013

4Z1W

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:	2023-09-27
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

4ZRR

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:	2023-09-27
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

5E0O

Brugia malayi Trehalose-6 Phosphate Phosphatase in complex with PEG at the active site.
Descriptor:	DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, SULFATE ION, ...
Authors:	Agarwal, A, Misra-Bhattacharya, S, Ravishankar, R.
Deposit date:	2015-09-29
Release date:	2015-10-28
Last modified:	2023-11-08
Method:	X-RAY DIFFRACTION (3 Å)
Cite:	Brugia malayi Trehalose Phosphate Phosphatase in complex with PEG at the active site To Be Published, 2015

4A04

Structure of the DNA-bound T-box domain of human TBX1, a transcription factor associated with the DiGeorge syndrome
Descriptor:	DNA, T-BOX TRANSCRIPTION FACTOR TBX1
Authors:	El Omari, K, De Mesmaeker, J, Karia, D, Ginn, H, Bhattacharya, S, Mancini, E.J.
Deposit date:	2011-09-07
Release date:	2011-10-12
Last modified:	2023-12-20
Method:	X-RAY DIFFRACTION (2.58 Å)
Cite:	Structure of the DNA-Bound T-Box Domain of Human Tbx1, a Transcription Factor Associated with the Digeorge Syndrome Proteins, 80, 2012

8BJY

Engineered Fructosyl Peptide Oxidase - X02B mutant
Descriptor:	FLAVIN-ADENINE DINUCLEOTIDE, Fructosyl Peptide Oxidase mutant (X02B), GLYCEROL
Authors:	Estiri, H, Bhattacharya, S, Rodriguez-Buitrago, J.A, Parisini, E.
Deposit date:	2022-11-08
Release date:	2023-11-22
Method:	X-RAY DIFFRACTION (1.475 Å)
Cite:	Engineered Fructosyl Peptide Oxidase - X02B mutant To Be Published

8BMU

Engineered Fructosyl Peptide Oxidase - X04 mutant
Descriptor:	2-(N-MORPHOLINO)-ETHANESULFONIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, Fructosyl Peptide Oxidase mutant (X04), ...
Authors:	Estiri, H, Bhattacharya, S, Rodriguez-Buitrago, J.A, Parisini, E.
Deposit date:	2022-11-11
Release date:	2023-11-22
Method:	X-RAY DIFFRACTION (1.6 Å)
Cite:	Engineered Fructosyl Peptide Oxidase - X04 mutant To Be Published

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