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7X7N
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BU of 7x7n by Molmil
3D model of the 3-RBD up single trimeric spike protein of SARS-CoV2 in the presence of synthetic peptide SIH-5.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, Synthetic peptide SIH-5
Authors:Khatri, B, Pramanick, I, Malladi, S.K, Rajmani, R.S, Kumar, S, Ghosh, P, Sengupta, N, Rahisuddin, R, Kumaran, S, Ringe, R.P, Varadarajan, R, Dutta, S, Chatterjee, J.
Deposit date:2022-03-10
Release date:2022-04-27
Last modified:2022-11-16
Method:ELECTRON MICROSCOPY (4.47 Å)
Cite:A dimeric proteomimetic prevents SARS-CoV-2 infection by dimerizing the spike protein.
Nat.Chem.Biol., 18, 2022
2ROU
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BU of 2rou by Molmil
Stereospecific Conformations of N2-dG 1R-trans-anti-Benzo[c]phenanthrene DNA Adducts: 3'-Intercalation of the 1R Adduct and 5'-Minor Groove Orientation of the 1S Adduct in an Iterated (CG)3 Repeat
Descriptor: (1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-2,3,4-TRIOL, DNA (5'-D(*DAP*DTP*DCP*DGP*DCP*DGP*DCP*DGP*DGP*DCP*DAP*DTP*DG)-3'), DNA (5'-D(*DCP*DAP*DTP*DGP*DCP*DCP*DGP*DCP*DGP*DCP*DGP*DAP*DT)-3')
Authors:Wang, Y, Kroth, H, Yagi, H, Sayer, J.M, Kumar, S, Jerina, D.M, Stone, M.P.
Deposit date:2008-04-20
Release date:2009-03-03
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:3'-Intercalation of a N2-dG 1R-trans-anti-benzo[c]phenanthrene DNA adduct in an iterated (CG)3 repeat
Chem.Res.Toxicol., 21, 2008
1UBQ
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BU of 1ubq by Molmil
STRUCTURE OF UBIQUITIN REFINED AT 1.8 ANGSTROMS RESOLUTION
Descriptor: UBIQUITIN
Authors:Vijay-Kumar, S, Bugg, C.E, Cook, W.J.
Deposit date:1987-01-02
Release date:1987-04-16
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of ubiquitin refined at 1.8 A resolution.
J.Mol.Biol., 194, 1987
3OIH
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BU of 3oih by Molmil
Crystal Structure of the complex of xylanase-alpha-amylase inhibitor Protein (XAIP-I) with trehalose at 1.87 A resolution
Descriptor: ACETATE ION, Haementhin, PHOSPHATE ION, ...
Authors:Kumar, M, Kumar, S, Sinha, M, Kaur, P, Sharma, S, Singh, T.P.
Deposit date:2010-08-19
Release date:2010-09-22
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Crystal Structure of the complex of xylanase-alpha-amylase inhibitor Protein (XAIP-I) with trehalose at 1.87 A resolution
To be Published
1HIG
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BU of 1hig by Molmil
THREE-DIMENSIONAL STRUCTURE OF RECOMBINANT HUMAN INTERFERON-GAMMA.
Descriptor: INTERFERON-GAMMA
Authors:Ealick, S.E, Cook, W.J, Vijay-Kumar, S, Carson, M, Nagabhushan, T.L, Trotta, P.P, Bugg, C.E.
Deposit date:1991-10-03
Release date:1992-04-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Three-dimensional structure of recombinant human interferon-gamma.
Science, 252, 1991
4LQ6
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BU of 4lq6 by Molmil
Crystal structure of Rv3717 reveals a novel amidase from M. tuberculosis
Descriptor: CHLORIDE ION, N-acetymuramyl-L-alanine amidase-related protein, PLATINUM (II) ION, ...
Authors:Kumar, A, Kumar, S, Kumar, D, Mishra, A, Dewangan, R.P, Shrivastava, P, Ramachandran, S, Taneja, B.
Deposit date:2013-07-17
Release date:2013-12-04
Last modified:2014-01-15
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:The structure of Rv3717 reveals a novel amidase from Mycobacterium tuberculosis.
Acta Crystallogr.,Sect.D, 69, 2013
1BJF
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BU of 1bjf by Molmil
CRYSTAL STRUCTURE OF RECOMBINANT BOVINE NEUROCALCIN DELTA AT 2.4 ANGSTROMS
Descriptor: CALCIUM ION, NEUROCALCIN DELTA
Authors:Vijay-Kumar, S, Kumar, V.D.
Deposit date:1998-06-25
Release date:1999-07-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of recombinant bovine neurocalcin.
Nat.Struct.Biol., 6, 1999
3FG5
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BU of 3fg5 by Molmil
Crystal structure determination of a ternary complex of phospholipase A2 with a pentapeptide FLSYK and Ajmaline at 2.5 A resolution
Descriptor: AJMALINE, Group II Phospholipase A2, pentapeptide FLSYK
Authors:Kumar, M, Kumar, S, Vikram, G, Singh, N, Sinha, M, Bhushan, A, Kaur, P, Srinivasan, A, Sharma, S, Singh, T.P.
Deposit date:2008-12-05
Release date:2008-12-23
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure determination of a ternary complex of phospholipase A2 with a pentapeptide FLSYK and Ajmaline at 2.5 A resolution
To be Published
3PUO
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BU of 3puo by Molmil
Crystal structure of dihydrodipicolinate synthase from Pseudomonas aeruginosa(PsDHDPS)complexed with L-lysine at 2.65A resolution
Descriptor: Dihydrodipicolinate synthase, GLYCEROL, LYSINE
Authors:Kaur, N, Kumar, M, Kumar, S, Gautam, A, Sinha, M, Kaur, P, Sharma, S, Sharma, R, Tewari, R, Singh, T.P.
Deposit date:2010-12-06
Release date:2010-12-29
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Biochemical studies and crystal structure determination of dihydrodipicolinate synthase from Pseudomonas aeruginosa
Int.J.Biol.Macromol., 48, 2011
3S8H
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BU of 3s8h by Molmil
Structure of dihydrodipicolinate synthase complexed with 3-Hydroxypropanoic acid(HPA)at 2.70 A resolution
Descriptor: 3-HYDROXY-PROPANOIC ACID, Dihydrodipicolinate synthase
Authors:Kumar, M, Kaur, N, Kumar, S, Sinha, M, Kaur, P, Sharma, S, Singh, T.P.
Deposit date:2011-05-28
Release date:2011-06-15
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structure of dihydrodipicolinate synthase complexed with 3-Hydroxypropanoic acid(HPA)at 2.70 A resolution
TO BE PUBLISHED
1OYO
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BU of 1oyo by Molmil
Regulation of protease activity by melanin: Crystal structure of the complex formed between proteinase K and melanin monomers at 2.0 resolution
Descriptor: 3H-INDOLE-5,6-DIOL, CALCIUM ION, Proteinase K
Authors:Singh, N, Sharma, S, Kumar, S, Raman, G, Singh, T.P.
Deposit date:2003-04-06
Release date:2003-05-20
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Regulation of protease activity by melanin: Crystal structure of the complex formed between proteinase K and melanin monomers at 2.0 resolution
To be Published
1QDF
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BU of 1qdf by Molmil
THE NMR STUDY OF DNA QUADRUPLEX STRUCTURE, APTAMER (15MER) DNA
Descriptor: DNA (5'-D(*GP*GP*TP*TP*GP*GP*TP*GP*TP*GP*GP*TP*TP*GP*G)-3')
Authors:Marathias, V.M, Wang, K.Y, Kumar, S, Swaminathan, S, Bolton, P.H.
Deposit date:1996-04-11
Release date:1996-11-08
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Determination of the number and location of the manganese binding sites of DNA quadruplexes in solution by EPR and NMR in the presence and absence of thrombin.
J.Mol.Biol., 260, 1996
1QDI
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BU of 1qdi by Molmil
THE NMR STUDY OF DNA QUADRUPLEX STRUCTURE, (12MER) DNA
Descriptor: DNA (5'-D(*GP*GP*GP*GP*TP*TP*TP*TP*GP*GP*GP*G)-3')
Authors:Marathias, V.M, Wang, K.Y, Kumar, S, Swaminathan, S, Bolton, P.H.
Deposit date:1996-04-11
Release date:1996-11-08
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Determination of the number and location of the manganese binding sites of DNA quadruplexes in solution by EPR and NMR in the presence and absence of thrombin.
J.Mol.Biol., 260, 1996
1QDH
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BU of 1qdh by Molmil
THE NMR STUDY OF DNA QUADRUPLEX STRUCTURE, APTAMER (15MER) DNA
Descriptor: DNA (5'-D(*GP*GP*TP*TP*GP*GP*TP*GP*TP*GP*GP*TP*TP*GP*G)-3'), MANGANESE (II) ION
Authors:Marathias, V.M, Wang, K.Y, Kumar, S, Swaminathan, S, Bolton, P.H.
Deposit date:1996-04-11
Release date:1996-11-08
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Determination of the number and location of the manganese binding sites of DNA quadruplexes in solution by EPR and NMR in the presence and absence of thrombin.
J.Mol.Biol., 260, 1996
1QDK
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BU of 1qdk by Molmil
THE NMR STUDY OF DNA QUADRUPLEX STRUCTURE, (12MER) DNA
Descriptor: DNA (5'-D(*GP*GP*GP*GP*TP*TP*TP*TP*GP*GP*GP*G)-3'), MANGANESE (II) ION
Authors:Marathias, V.M, Wang, K.Y, Kumar, S, Swaminathan, S, Bolton, P.H.
Deposit date:1996-04-11
Release date:1996-11-08
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Determination of the number and location of the manganese binding sites of DNA quadruplexes in solution by EPR and NMR in the presence and absence of thrombin.
J.Mol.Biol., 260, 1996
8IYM
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BU of 8iym by Molmil
Crystal structure of a protein acetyltransferase, HP0935
Descriptor: 1,2-ETHANEDIOL, N-acetyltransferase domain-containing protein, POTASSIUM ION, ...
Authors:Dadireddy, V, Mahanta, P, Kumar, A, Desirazu, R.N, Ramakumar, S.
Deposit date:2023-04-05
Release date:2024-04-10
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of a protein acetyltransferase, HP0935
To be published
8IYO
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BU of 8iyo by Molmil
Crystal structure of a protein acetyltransferase, HP0935, acetyl-CoA bound form
Descriptor: ACETYL COENZYME *A, N-acetyltransferase domain-containing protein
Authors:Dadireddy, V, Mahanta, P, Kumar, A, Desirazu, R.N, Ramakumar, S.
Deposit date:2023-04-05
Release date:2024-04-10
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of a protein acetyltransferase, HP0935, acetyl-CoA bound form
To be published
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
8AGA
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BU of 8aga by Molmil
Structure of p-hydroxy benzoic acid ligand bound HosA transcriptional regulator from enteropathogenic Escherichia coli O127:H6 (strain E2348/69)
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, P-HYDROXYBENZOIC ACID, ...
Authors:Arpita, G, Kannika, B.R, Madan Kumar, S.
Deposit date:2022-07-19
Release date:2023-08-02
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Structure of p-hydroxy benzoic acid ligand bound HosA transcriptional regulator from enteropathogenic Escherichia coli O127:H6 (strain E2348/69)
To Be Published
7BW9
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BU of 7bw9 by Molmil
Crystal structure of Serine acetyltransferase isoform 3 in complex with cysteine from Entamoeba histolytica
Descriptor: CYSTEINE, Serine acetyltransferase 1, putative
Authors:Dharavath, S, Kumar, S, Gourinath, S.
Deposit date:2020-04-14
Release date:2021-04-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.131 Å)
Cite:Crystal structure of Serine acetyltransferase isoform 3 in complex with cysteine from Entamoeba histolytica
To Be Published
8PQ4
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BU of 8pq4 by Molmil
Structure of HosA transcriptional regulator from enteropathogenic Escherichia coli O127:H6 (strain E2348/69)
Descriptor: 1,2-ETHANEDIOL, Transcriptional regulator HosA
Authors:Arpita, G, Kavyashree, M, Kannika, B.R, Madan Kumar, S.
Deposit date:2023-07-10
Release date:2023-07-19
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structure of HosA transcriptional regulator from enteropathogenic Escherichia coli O127:H6 (strain E2348/69)
To Be Published
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:2024-05-22
Method:X-RAY DIFFRACTION (2.207 Å)
Cite:Aptameric hirudins as selective and reversible EXosite-ACTive site (EXACT) inhibitors.
Nat Commun, 15, 2024
3OQT
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BU of 3oqt by Molmil
Crystal structure of Rv1498A protein from mycobacterium tuberculosis
Descriptor: CHLORIDE ION, Rv1498A PROTEIN, SODIUM ION
Authors:Liu, F, Xiong, J, Kumar, S, Yang, C, Li, S, Ge, S, Xia, N, Swaminathan, K.
Deposit date:2010-09-04
Release date:2011-07-20
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.88 Å)
Cite:Structural and biophysical characterization of Mycobacterium tuberculosis dodecin Rv1498A.
J.Struct.Biol., 175, 2011
1DQ7
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BU of 1dq7 by Molmil
THREE-DIMENSIONAL STRUCTURE OF A NEUROTOXIN FROM RED SCORPION (BUTHUS TAMULUS) AT 2.2A RESOLUTION.
Descriptor: NEUROTOXIN
Authors:Sharma, M, Yadav, S, Karthikeyan, S, Kumar, S, Paramasivam, M, Srinivasan, A, Singh, T.P.
Deposit date:1999-12-30
Release date:2000-12-30
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Three-dimensional Structure of a Neurotoxin from Red Scorpion (Buthus tamulus) at 2.2A Resolution
To be Published
4TUN
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BU of 4tun by Molmil
Crystal structure of Chicken egg white lysozyme adduct with Organophosphorus pesticide Monochrotophos
Descriptor: ACETATE ION, Lysozyme C, methyl [4-(methylamino)-4-oxidanylidene-but-2-en-2-yl] hydrogen phosphate
Authors:Amaraneni, S.R, Kumar, S, Samudrala, G.
Deposit date:2014-06-24
Release date:2014-07-09
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.925 Å)
Cite:Biophysical aspects of lysozyme adduct with monocrotophos.
Anal Bioanal Chem, 406, 2014

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