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PDB: 31 results

8TQS
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BU of 8tqs by Molmil
Complex of human thrombin (S195A) bound to a bivalent inhibitor comprised of DNA Aptamer HD22 conjugated to Dabigatran with a linker.
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, DNA (30-MER), ...
Authors:Krishnaswamy, S, Kumar, S.
Deposit date:2023-08-08
Release date:2024-05-01
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.207 Å)
Cite:Aptameric hirudins as selective and reversible EXosite-ACTive site (EXACT) inhibitors.
Nat Commun, 15, 2024
5VOF
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BU of 5vof by Molmil
DesGla-XaS195A Bound to Aptamer 11F7t and Rivaroxaban
Descriptor: 5-chloro-N-({(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl}methyl)thiophene-2-carboxamide, CALCIUM ION, Coagulation factor X, ...
Authors:Krishnaswamy, S, Kumar, S.
Deposit date:2017-05-02
Release date:2018-06-13
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Combination of aptamer and drug for reversible anticoagulation in cardiopulmonary bypass.
Nat. Biotechnol., 36, 2018
4U4M
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BU of 4u4m by Molmil
Crystal structure of 0.5M urea unfolded YagE, a KDG aldolase protein in complex with Pyruvate
Descriptor: 1,2-ETHANEDIOL, PYRUVIC ACID, UREA, ...
Authors:Manoj Kumar, P, Bhaskar, V, Manicka, S, Krishnaswamy, S.
Deposit date:2014-07-24
Release date:2015-07-29
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3.09 Å)
Cite:Crystal structure of 0.5M urea unfolded YagE, a KDG aldolase protein in complex with Pyruvate
To be published
239D
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BU of 239d by Molmil
POLYMORPHISM IN LEFT HANDED DNA: THE CRYSTAL STRUCTURE OF D(CCCGGG)2
Descriptor: DNA (5'-D(*CP*CP*CP*GP*GP*G)-3')
Authors:Karthe, P, Krishnaswamy, S, Gautham, N.
Deposit date:1995-11-02
Release date:1996-11-08
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Polymorphism in Left Handed DNA: The Crystal Structure of d(CCCGGG)2
To be Published, 1996
2BPA
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BU of 2bpa by Molmil
ATOMIC STRUCTURE OF SINGLE-STRANDED DNA BACTERIOPHAGE PHIX174 AND ITS FUNCTIONAL IMPLICATIONS
Descriptor: DNA (5'-D(*AP*AP*AP*AP*C)-3'), PROTEIN (SUBUNIT OF BACTERIOPHAGE PHIX174)
Authors:McKenna, R, Xia, D, Willingmann, P, Ilag, L.L, Krishnaswamy, S, Rossmann, M.G, Olson, N.H, Baker, T.S, Incardona, N.L.
Deposit date:1991-12-03
Release date:1991-12-03
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (3 Å)
Cite:Atomic structure of single-stranded DNA bacteriophage phi X174 and its functional implications.
Nature, 355, 1992
4ZPU
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BU of 4zpu by Molmil
The structure of DLP12 endolysin exhibits likely active and inactive conformations.
Descriptor: ACETATE ION, FORMIC ACID, Lysozyme RrrD
Authors:Kesavan, B, Arockiasamy, A, Krishnaswamy, S.
Deposit date:2015-05-08
Release date:2015-06-03
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The structure of DLP12 endolysin exhibits likely an active and inactive conformations.
To Be Published
3NSG
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BU of 3nsg by Molmil
Crystal Structure of OmpF, an Outer Membrane Protein from Salmonella typhi
Descriptor: CITRATE ANION, GLYCEROL, L(+)-TARTARIC ACID, ...
Authors:Balasubramaniam, D, Arockiasamy, A, Sharma, A, Krishnaswamy, S.
Deposit date:2010-07-01
Release date:2011-07-13
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Asymmetric pore occupancy in crystal structure of OmpF porin from Salmonella typhi
J.Struct.Biol., 178, 2012
8EPC
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BU of 8epc by Molmil
Crystal structure of human coagulation factor IXa (S195A), apo-form
Descriptor: CALCIUM ION, Coagulation factor IXa heavy chain, Coagulation factor IXa light chain
Authors:Kolyadko, V.N, Krishnaswamy, S.
Deposit date:2022-10-05
Release date:2024-07-03
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:An RNA aptamer exploits exosite-dependent allostery to achieve specific inhibition of coagulation factor IXa.
Proc.Natl.Acad.Sci.USA, 121, 2024
8EPH
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BU of 8eph by Molmil
Crystal structure of human coagulation factor IXa (S195A), apo-form, DES-GLA
Descriptor: CALCIUM ION, Coagulation factor IXa heavy chain, Coagulation factor IXa light chain, ...
Authors:Kolyadko, V.N, Krishnaswamy, S.
Deposit date:2022-10-05
Release date:2024-07-03
Last modified:2024-07-24
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:An RNA aptamer exploits exosite-dependent allostery to achieve specific inhibition of coagulation factor IXa.
Proc.Natl.Acad.Sci.USA, 121, 2024
8EPK
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BU of 8epk by Molmil
Complex of anticoagulant RNA aptamer and human coagulation factor IXa (S195A)
Descriptor: CALCIUM ION, Coagulation factor IXa heavy chain, Coagulation factor IXa light chain, ...
Authors:Kolyadko, V.N, Krishnaswamy, S.
Deposit date:2022-10-05
Release date:2024-07-03
Last modified:2024-07-24
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:An RNA aptamer exploits exosite-dependent allostery to achieve specific inhibition of coagulation factor IXa.
Proc.Natl.Acad.Sci.USA, 121, 2024
3JTC
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BU of 3jtc by Molmil
Importance of Mg2+ in the Ca2+-Dependent Folding of the gamma-Carboxyglutamic Acid Domains of Vitamin K-Dependent clotting and anticlotting Proteins
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Endothelial protein C receptor, ...
Authors:Bajaj, S.P, Vadivel, K, Agah, S, Cascio, D, Krishnaswamy, S, Esmon, C, Padmanabhan, K.
Deposit date:2009-09-11
Release date:2011-04-06
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural and Functional Studies of gamma-Carboxyglutamic Acid Domains of Factor VIIa and Activated Protein C: Role of Magnesium at Physiological Calcium.
J.Mol.Biol., 425, 2013
5VOE
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BU of 5voe by Molmil
DesGla-XaS195A Bound to Aptamer 11F7t
Descriptor: Aptamer 11F7t (36-MER), CALCIUM ION, Coagulation factor X, ...
Authors:Gunaratne, R, Kumar, S, Frederiksen, J.W, Stayrook, S, Lohrmann, J.L, Perry, K, Chabata, C.V, Thalji, N.K, Ho, M.D, Arepally, G, Camire, R.M, Krishnaswamy, S.K, Sullenger, B.A.
Deposit date:2017-05-02
Release date:2018-06-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2 Å)
Cite:Combination of aptamer and drug for reversible anticoagulation in cardiopulmonary bypass.
Nat. Biotechnol., 36, 2018
4BXW
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BU of 4bxw by Molmil
Crystal Structure of the Prothrombinase Complex from the Venom of Pseudonaja Textilis
Descriptor: COAGULATION FACTOR V, FACTOR XA, GLYCEROL, ...
Authors:Lechtenberg, B.C, Murray-Rust, T.A, Johnson, D.J.D, Adams, T.E, Krishnaswamy, S, Camire, R.M, Huntington, J.A.
Deposit date:2013-07-16
Release date:2013-07-31
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:Crystal Structure of the Prothrombinase Complex from the Venom of Pseudonaja Textilis.
Blood, 122, 2013
4BXS
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BU of 4bxs by Molmil
Crystal Structure of the Prothrombinase Complex from the Venom of Pseudonaja Textilis
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Lechtenberg, B.C, Murray-Rust, T.A, Johnson, D.J.D, Adams, T.E, Krishnaswamy, S, Camire, R.M, Huntington, J.A.
Deposit date:2013-07-15
Release date:2013-07-31
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (3.32 Å)
Cite:Crystal Structure of the Prothrombinase Complex from the Venom of Pseudonaja Textilis.
Blood, 122, 2013
4OE7
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BU of 4oe7 by Molmil
Crystal structure of YagE, a KDG aldolase protein, in complex with aldol condensed product of pyruvate and glyoxal
Descriptor: (4R)-4-hydroxy-2,5-dioxopentanoic acid, (4S)-4-hydroxy-2,5-dioxopentanoic acid, 1,2-ETHANEDIOL, ...
Authors:Manoj Kumar, P, Baskar, V, Manicka, S, Krishnaswamy, S.
Deposit date:2014-01-12
Release date:2014-12-24
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Crystal structure of YagE, a KDG aldolase protein, in complex with aldol condensed product of pyruvate and glyoxal
To be Published
4ONV
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BU of 4onv by Molmil
Crystal structure of YagE, a KDG aldolase protein in complex with 2-Keto-3-deoxy gluconate
Descriptor: 1,2-ETHANEDIOL, 2-KETO-3-DEOXYGLUCONATE, GLYCEROL, ...
Authors:Manoj Kumar, P, Bhaskar, V, Manicka, S, Krishnaswamy, S.
Deposit date:2014-01-29
Release date:2015-01-14
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:Crystal structure of YagE, a KDG aldolase protein in complex with 2-Keto-3-deoxy gluconate
To be Published
3N2X
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BU of 3n2x by Molmil
Crystal structure of YagE, a prophage protein belonging to the dihydrodipicolinic acid synthase family from E. coli K12 in complex with pyruvate
Descriptor: 1,2-ETHANEDIOL, Uncharacterized protein yagE
Authors:Bhaskar, V, Kumar, P.M, Manicka, S, Krishnaswamy, S.
Deposit date:2010-05-19
Release date:2011-04-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Identification of biochemical and putative biological role of a xenolog from Escherichia coli using structural analysis.
Proteins, 79, 2011
3NEV
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BU of 3nev by Molmil
Crystal structure of YagE, a prophage protein from E. coli K12 in complex with KDGal
Descriptor: 1,2-ETHANEDIOL, 3-DEOXY-D-LYXO-HEXONIC ACID, Uncharacterized protein yagE
Authors:Bhaskar, V, Kumar, P.M, Manicka, S, Krishnaswamy, S.
Deposit date:2010-06-09
Release date:2011-04-13
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Identification of biochemical and putative biological role of a xenolog from Escherichia coli using structural analysis.
Proteins, 79, 2011
4PTN
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BU of 4ptn by Molmil
Crystal Structure of YagE, a KDG aldolase protein in complex with Magnesium cation coordinated L-glyceraldehyde
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, L-glyceraldehyde, ...
Authors:Manoj Kumar, P, Baskar, V, Manicka, S, Krishnaswamy, S.
Deposit date:2014-03-11
Release date:2014-12-03
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Crystal structure of YagE, a putative DHDPS-like protein from Escherichia coli K12.
Proteins, 71, 2008
4KR8
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BU of 4kr8 by Molmil
Salmonella typhi OmpF complex with Daunomycin
Descriptor: DAUNOMYCIN, Outer membrane protein F
Authors:Madhuranayaki, T, Balasubramaniam, D, Krishnaswamy, S.
Deposit date:2013-05-16
Release date:2014-05-28
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Salmonella typhi OmpF complex with Daunomycin
To be published
4KRA
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BU of 4kra by Molmil
Salmonella typhi OmpF complex with Ciprofloxacin
Descriptor: 1-CYCLOPROPYL-6-FLUORO-4-OXO-7-PIPERAZIN-1-YL-1,4-DIHYDROQUINOLINE-3-CARBOXYLIC ACID, Outer membrane protein F
Authors:Madhuranayaki, T, Balasubramaniam, D, Krishnaswamy, S.
Deposit date:2013-05-16
Release date:2014-05-28
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.32 Å)
Cite:Salmonella typhi OmpF complex with Ciprofloxacin
To be published
3UPG
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BU of 3upg by Molmil
Loop deletion mutant of Salmonella typhi osmoporin (OmpC):an Outer Membrane Protein.
Descriptor: CALCIUM ION, CHLORIDE ION, Outer membrane protein C
Authors:Prasanth, P, Putcha, B.K, Arockiasamy, A, Krishnaswamy, S.
Deposit date:2011-11-18
Release date:2012-11-28
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Crystal structure of osmoporin (OmpC) loop deletion mutant: an Outer membrane protein from Salmonella typhi.
To be Published
3UU2
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BU of 3uu2 by Molmil
Salmonella typhi osmoporin(OmpC):an Outer Membrane Protein
Descriptor: Outer membrane protein C
Authors:Prasanth, P, Putcha, B.K, Arockiasamy, A, Krishnaswamy, S.
Deposit date:2011-11-27
Release date:2012-11-28
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.59 Å)
Cite:Crystal Structure of Outer membrane protein OmpC from Salmonella typhi.
To be Published
4KR4
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BU of 4kr4 by Molmil
Salmonella typhi OmpF complex with Ampicillin
Descriptor: (2S,5R,6R)-6-{[(2R)-2-AMINO-2-PHENYLETHANOYL]AMINO}-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID, Outer membrane protein F
Authors:Madhuranayaki, T, Balasubramaniam, D, Krishnaswamy, S.
Deposit date:2013-05-16
Release date:2014-05-28
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.8 Å)
Cite:Salmonella typhi OmpF complex with Ampicillin
To be published
1AKS
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BU of 1aks by Molmil
CRYSTAL STRUCTURE OF THE FIRST ACTIVE AUTOLYSATE FORM OF THE PORCINE ALPHA TRYPSIN
Descriptor: ALPHA TRYPSIN, CALCIUM ION
Authors:Johnson, A, Krishnaswamy, S, Sundaram, P.V, Pattabhi, V.
Deposit date:1996-07-24
Release date:1997-02-12
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The first structure at 1.8 A resolution of an active autolysate form of porcine alpha-trysoin.
Acta Crystallogr.,Sect.D, 53, 1997

 

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