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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
分子名称: (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')
著者Wang, Y, Kroth, H, Yagi, H, Sayer, J.M, Kumar, S, Jerina, D.M, Stone, M.P.
登録日2008-04-20
公開日2009-03-03
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献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
2SCP
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BU of 2scp by Molmil
STRUCTURE OF A SARCOPLASMIC CALCIUM-BINDING PROTEIN FROM NEREIS DIVERSICOLOR REFINED AT 2.0 ANGSTROMS RESOLUTION
分子名称: CALCIUM ION, SARCOPLASMIC CALCIUM-BINDING PROTEIN
著者Cook, W.J, Vijay-Kumar, S.
登録日1991-08-22
公開日1993-10-31
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure of a sarcoplasmic calcium-binding protein from Nereis diversicolor refined at 2.0 A resolution.
J.Mol.Biol., 224, 1992
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
分子名称: 3H-INDOLE-5,6-DIOL, CALCIUM ION, Proteinase K
著者Singh, N, Sharma, S, Kumar, S, Raman, G, Singh, T.P.
登録日2003-04-06
公開日2003-05-20
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献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
1QDK
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BU of 1qdk by Molmil
THE NMR STUDY OF DNA QUADRUPLEX STRUCTURE, (12MER) DNA
分子名称: DNA (5'-D(*GP*GP*GP*GP*TP*TP*TP*TP*GP*GP*GP*G)-3'), MANGANESE (II) ION
著者Marathias, V.M, Wang, K.Y, Kumar, S, Swaminathan, S, Bolton, P.H.
登録日1996-04-11
公開日1996-11-08
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献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
1QDF
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BU of 1qdf by Molmil
THE NMR STUDY OF DNA QUADRUPLEX STRUCTURE, APTAMER (15MER) DNA
分子名称: DNA (5'-D(*GP*GP*TP*TP*GP*GP*TP*GP*TP*GP*GP*TP*TP*GP*G)-3')
著者Marathias, V.M, Wang, K.Y, Kumar, S, Swaminathan, S, Bolton, P.H.
登録日1996-04-11
公開日1996-11-08
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献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
分子名称: DNA (5'-D(*GP*GP*TP*TP*GP*GP*TP*GP*TP*GP*GP*TP*TP*GP*G)-3'), MANGANESE (II) ION
著者Marathias, V.M, Wang, K.Y, Kumar, S, Swaminathan, S, Bolton, P.H.
登録日1996-04-11
公開日1996-11-08
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献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
分子名称: DNA (5'-D(*GP*GP*GP*GP*TP*TP*TP*TP*GP*GP*GP*G)-3')
著者Marathias, V.M, Wang, K.Y, Kumar, S, Swaminathan, S, Bolton, P.H.
登録日1996-04-11
公開日1996-11-08
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献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
1BJF
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BU of 1bjf by Molmil
CRYSTAL STRUCTURE OF RECOMBINANT BOVINE NEUROCALCIN DELTA AT 2.4 ANGSTROMS
分子名称: CALCIUM ION, NEUROCALCIN DELTA
著者Vijay-Kumar, S, Kumar, V.D.
登録日1998-06-25
公開日1999-07-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structure of recombinant bovine neurocalcin.
Nat.Struct.Biol., 6, 1999
3OQT
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BU of 3oqt by Molmil
Crystal structure of Rv1498A protein from mycobacterium tuberculosis
分子名称: CHLORIDE ION, Rv1498A PROTEIN, SODIUM ION
著者Liu, F, Xiong, J, Kumar, S, Yang, C, Li, S, Ge, S, Xia, N, Swaminathan, K.
登録日2010-09-04
公開日2011-07-20
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.88 Å)
主引用文献Structural and biophysical characterization of Mycobacterium tuberculosis dodecin Rv1498A.
J.Struct.Biol., 175, 2011
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
分子名称: Dihydrodipicolinate synthase, GLYCEROL, LYSINE
著者Kaur, N, Kumar, M, Kumar, S, Gautam, A, Sinha, M, Kaur, P, Sharma, S, Sharma, R, Tewari, R, Singh, T.P.
登録日2010-12-06
公開日2010-12-29
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Biochemical studies and crystal structure determination of dihydrodipicolinate synthase from Pseudomonas aeruginosa
Int.J.Biol.Macromol., 48, 2011
8E1P
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BU of 8e1p by Molmil
Crystal structure of BG505 SOSIP.v4.1-GT1.2 trimer in complex with gl-PGV20 and PGT124 Fabs
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BG505-SOSIP.v4.1-GT1.2gp120, ...
著者Sarkar, A, Kumar, S, Wilson, I.A.
登録日2022-08-11
公開日2023-06-21
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (3.82 Å)
主引用文献Germline-targeting HIV-1 Env vaccination induces VRC01-class antibodies with rare insertions.
Cell Rep Med, 4, 2023
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)
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, P-HYDROXYBENZOIC ACID, ...
著者Arpita, G, Kannika, B.R, Madan Kumar, S.
登録日2022-07-19
公開日2023-08-02
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Structure of p-hydroxy benzoic acid ligand bound HosA transcriptional regulator from enteropathogenic Escherichia coli O127:H6 (strain E2348/69)
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)
分子名称: 1,2-ETHANEDIOL, Transcriptional regulator HosA
著者Arpita, G, Kavyashree, M, Kannika, B.R, Madan Kumar, S.
登録日2023-07-10
公開日2023-07-19
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structure of HosA transcriptional regulator from enteropathogenic Escherichia coli O127:H6 (strain E2348/69)
To Be Published
3K1D
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BU of 3k1d by Molmil
Crystal structure of glycogen branching enzyme synonym: 1,4-alpha-D-glucan:1,4-alpha-D-GLUCAN 6-glucosyl-transferase from mycobacterium tuberculosis H37RV
分子名称: 1,4-alpha-glucan-branching enzyme
著者Pal, K, Kumar, S, Swaminathan, K.
登録日2009-09-27
公開日2010-05-05
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献Crystal structure of full-length Mycobacterium tuberculosis H37Rv glycogen branching enzyme: insights of N-terminal beta-sandwich in substrate specificity and enzymatic activity
J.Biol.Chem., 285, 2010
3NOE
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BU of 3noe by Molmil
Crystal Structure of Dihydrodipicolinate synthase from Pseudomonas aeruginosa
分子名称: Dihydrodipicolinate synthase, S-1,2-PROPANEDIOL
著者Kaur, N, Kumar, S, Singh, N, Gautam, A, Sharma, R, Sharma, S, Tewari, R, Singh, T.P.
登録日2010-06-25
公開日2010-07-28
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Crystal Structure of Dihydrodipicolinate synthase from Pseudomonas aeruginosa
To be Published
3O9N
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BU of 3o9n by Molmil
Crystal Structure of a new form of xylanase-A-amylase inhibitor protein(XAIP-III) at 2.4 A resolution
分子名称: ACETATE ION, Haementhin, PHOSPHATE ION
著者Singh, A, Kumar, S, Sinha, M, Sharma, S, Singh, T.P.
登録日2010-08-04
公開日2010-09-22
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal Structure of a new form of xylanase-A-amylase inhibitor protein(XAIP-III) at 2.4 A resolution
To be Published
4EIX
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BU of 4eix by Molmil
Structural Studies of the ternary complex of Phaspholipase A2 with nimesulide and indomethacin
分子名称: 4-NITRO-2-PHENOXYMETHANESULFONANILIDE, ACETONITRILE, INDOMETHACIN, ...
著者Shukla, P.K, Singh, N, Kumar, S, Bhushan, A, Sinha, M, Kaur, P, Sharma, S, Singh, T.P.
登録日2012-04-06
公開日2012-04-25
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural Studies of the ternary complex of Phaspholipase A2 with nimusulide and indomethacin
To be Published
5VOF
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BU of 5vof by Molmil
DesGla-XaS195A Bound to Aptamer 11F7t and Rivaroxaban
分子名称: 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, ...
著者Krishnaswamy, S, Kumar, S.
登録日2017-05-02
公開日2018-06-13
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Combination of aptamer and drug for reversible anticoagulation in cardiopulmonary bypass.
Nat. Biotechnol., 36, 2018
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.
分子名称: NEUROTOXIN
著者Sharma, M, Yadav, S, Karthikeyan, S, Kumar, S, Paramasivam, M, Srinivasan, A, Singh, T.P.
登録日1999-12-30
公開日2000-12-30
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Three-dimensional Structure of a Neurotoxin from Red Scorpion (Buthus tamulus) at 2.2A Resolution
To be Published
5VOE
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BU of 5voe by Molmil
DesGla-XaS195A Bound to Aptamer 11F7t
分子名称: Aptamer 11F7t (36-MER), CALCIUM ION, Coagulation factor X, ...
著者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.
登録日2017-05-02
公開日2018-06-20
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Combination of aptamer and drug for reversible anticoagulation in cardiopulmonary bypass.
Nat. Biotechnol., 36, 2018
3E9K
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BU of 3e9k by Molmil
Crystal structure of Homo sapiens kynureninase-3-hydroxyhippuric acid inhibitor complex
分子名称: 3-Hydroxyhippuric acid, Kynureninase, PYRIDOXAL-5'-PHOSPHATE
著者Lima, S, Kumar, S, Gawandi, V, Momany, C, Phillips, R.S.
登録日2008-08-22
公開日2008-12-09
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure of the Homo sapiens kynureninase-3-hydroxyhippuric acid inhibitor complex: insights into the molecular basis of kynureninase substrate specificity.
J.Med.Chem., 52, 2009
1RGY
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BU of 1rgy by Molmil
Citrobacter freundii GN346 Class C beta-Lactamase Complexed with Transition-State Analog of Cefotaxime
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, beta-lactamase, {[(2E)-2-(2-AMINO-1,3-THIAZOL-4-YL)-2-(METHOXYIMINO)ETHANOYL]AMINO}METHYLPHOSPHONIC ACID
著者Nukaga, M, Kumar, S, Nukaga, K, Pratt, R.F, Knox, J.R.
登録日2003-11-13
公開日2004-04-06
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Hydrolysis of third-generation cephalosporins by class C beta-lactamases. Structures of a transition state analog of cefotoxamine in wild-type and extended spectrum enzymes.
J.Biol.Chem., 279, 2004
1RGZ
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BU of 1rgz by Molmil
Enterobacter cloacae GC1 Class C beta-Lactamase Complexed with Transition-State Analog of Cefotaxime
分子名称: GLYCEROL, class C beta-lactamase, {[(2E)-2-(2-AMINO-1,3-THIAZOL-4-YL)-2-(METHOXYIMINO)ETHANOYL]AMINO}METHYLPHOSPHONIC ACID
著者Nukaga, M, Kumar, S, Nukaga, K, Pratt, R.F, Knox, J.R.
登録日2003-11-13
公開日2004-04-06
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.37 Å)
主引用文献Hydrolysis of third-generation cephalosporins by class C beta-lactamases. Structures of a transition state analog of cefotoxamine in wild-type and extended spectrum enzymes.
J.Biol.Chem., 279, 2004
1AC9
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BU of 1ac9 by Molmil
SOLUTION STRUCTURE OF A DNA DECAMER CONTAINING THE ANTIVIRAL DRUG GANCICLOVIR: COMBINED USE OF NMR, RESTRAINED MOLECULAR DYNAMICS, AND FULL RELAXATION REFINEMENT, 6 STRUCTURES
分子名称: DNA
著者Foti, M, Marshalko, S, Schurter, E, Kumar, S, Beardsley, G.P, Schweitzer, B.I.
登録日1997-02-17
公開日1997-07-07
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Solution structure of a DNA decamer containing the antiviral drug ganciclovir: combined use of NMR, restrained molecular dynamics, and full relaxation matrix refinement.
Biochemistry, 36, 1997
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.
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, DNA (30-MER), ...
著者Krishnaswamy, S, Kumar, S.
登録日2023-08-08
公開日2024-05-01
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.207 Å)
主引用文献Aptameric hirudins as selective and reversible EXosite-ACTive site (EXACT) inhibitors.
Nat Commun, 15, 2024

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