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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
8XEQ
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BU of 8xeq by Molmil
Solution NMR structure of DNA sequence d(CGATCG)2
Descriptor: DNA (5'-D(*CP*AP*CP*GP*TP*GP*)-3')
Authors:Nair, M.S, Kumar, S.
Deposit date:2023-12-12
Release date:2024-01-10
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Solution NMR structure of DNA sequence d(CGATCG)2
To Be Published
8XGW
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BU of 8xgw by Molmil
Solution structure of d(CGATCG)2-Baicalein complex
Descriptor: 5,6,7-trihydroxy-2-phenyl-4H-chromen-4-one, DNA (5'-D(*CP*AP*CP*GP*TP*G)-3')
Authors:Nair, M.S, Kumar, S.
Deposit date:2023-12-15
Release date:2024-02-07
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Solution structure of d(CACGTG)2-Baicalein complex
To Be Published
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
Descriptor: 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, ...
Authors:Sarkar, A, Kumar, S, Wilson, I.A.
Deposit date:2022-08-11
Release date:2023-06-21
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.82 Å)
Cite:Germline-targeting HIV-1 Env vaccination induces VRC01-class antibodies with rare insertions.
Cell Rep Med, 4, 2023
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
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
4HKE
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BU of 4hke by Molmil
Crystal Structure of MoxT of Bacillus anthracis
Descriptor: Addiction module toxin component PemK, SULFATE ION
Authors:Verma, S, Kumar, S, Gourinath, S, Bhatnagar, R.
Deposit date:2012-10-15
Release date:2013-11-13
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Structural basis of Bacillus anthracis MoxXT disruption and the modulation of MoxT ribonuclease activity by rationally designed peptides.
J.Biomol.Struct.Dyn., 33, 2015
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
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
4EIX
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BU of 4eix by Molmil
Structural Studies of the ternary complex of Phaspholipase A2 with nimesulide and indomethacin
Descriptor: 4-NITRO-2-PHENOXYMETHANESULFONANILIDE, ACETONITRILE, INDOMETHACIN, ...
Authors:Shukla, P.K, Singh, N, Kumar, S, Bhushan, A, Sinha, M, Kaur, P, Sharma, S, Singh, T.P.
Deposit date:2012-04-06
Release date:2012-04-25
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural Studies of the ternary complex of Phaspholipase A2 with nimusulide and indomethacin
To be Published
1RGY
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BU of 1rgy by Molmil
Citrobacter freundii GN346 Class C beta-Lactamase Complexed with Transition-State Analog of Cefotaxime
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, beta-lactamase, {[(2E)-2-(2-AMINO-1,3-THIAZOL-4-YL)-2-(METHOXYIMINO)ETHANOYL]AMINO}METHYLPHOSPHONIC ACID
Authors:Nukaga, M, Kumar, S, Nukaga, K, Pratt, R.F, Knox, J.R.
Deposit date:2003-11-13
Release date:2004-04-06
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.52 Å)
Cite: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
Descriptor: GLYCEROL, class C beta-lactamase, {[(2E)-2-(2-AMINO-1,3-THIAZOL-4-YL)-2-(METHOXYIMINO)ETHANOYL]AMINO}METHYLPHOSPHONIC ACID
Authors:Nukaga, M, Kumar, S, Nukaga, K, Pratt, R.F, Knox, J.R.
Deposit date:2003-11-13
Release date:2004-04-06
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.37 Å)
Cite: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
3NOE
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BU of 3noe by Molmil
Crystal Structure of Dihydrodipicolinate synthase from Pseudomonas aeruginosa
Descriptor: Dihydrodipicolinate synthase, S-1,2-PROPANEDIOL
Authors:Kaur, N, Kumar, S, Singh, N, Gautam, A, Sharma, R, Sharma, S, Tewari, R, Singh, T.P.
Deposit date:2010-06-25
Release date:2010-07-28
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.95 Å)
Cite: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
Descriptor: ACETATE ION, Haementhin, PHOSPHATE ION
Authors:Singh, A, Kumar, S, Sinha, M, Sharma, S, Singh, T.P.
Deposit date:2010-08-04
Release date:2010-09-22
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal Structure of a new form of xylanase-A-amylase inhibitor protein(XAIP-III) at 2.4 A resolution
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
Descriptor: 1,4-alpha-glucan-branching enzyme
Authors:Pal, K, Kumar, S, Swaminathan, K.
Deposit date:2009-09-27
Release date:2010-05-05
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.33 Å)
Cite: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
3PH0
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BU of 3ph0 by Molmil
Crystal structure of the heteromolecular chaperone, AscE-AscG, from the type III secretion system in Aeromonas hydrophila
Descriptor: AscE, AscG
Authors:Chatterjee, C, Kumar, S, Chakraborty, S, Tan, Y.W, Leung, K.Y, Sivaraman, J, Mok, Y.K.
Deposit date:2010-11-03
Release date:2011-07-20
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of the heteromolecular chaperone, AscE-AscG, from the type III secretion system in Aeromonas hydrophila
Plos One, 6, 2011
3PS7
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BU of 3ps7 by Molmil
Biochemical studies and crystal structure determination of dihydrodipicolinate synthase from Pseudomonas aeruginosa
Descriptor: Dihydrodipicolinate synthase, S-1,2-PROPANEDIOL
Authors:Kaur, N, Gautam, A, Kumar, S, Singh, A, Singh, N, Sharma, S, Sharma, R, Tewari, R, Singh, T.P.
Deposit date:2010-12-01
Release date:2010-12-15
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Biochemical studies and crystal structure determination of dihydrodipicolinate synthase from Pseudomonas aeruginosa
Int.J.Biol.Macromol., 48, 2011
3BC3
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BU of 3bc3 by Molmil
Exploring inhibitor binding at the S subsites of cathepsin L
Descriptor: Cathepsin L heavy and light chains, S-benzyl-N-(biphenyl-4-ylacetyl)-L-cysteinyl-N~5~-(diaminomethyl)-D-ornithyl-N-(2-phenylethyl)-L-tyrosinamide
Authors:Chowdhury, S.F, Joseph, L, Kumar, S, Tulsidas, S.R, Bhat, S, Ziomek, E, Nard, R.M, Sivaraman, J, Purisima, E.O.
Deposit date:2007-11-12
Release date:2008-03-18
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Exploring inhibitor binding at the S' subsites of cathepsin L
J.Med.Chem., 51, 2008
3B23
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BU of 3b23 by Molmil
Crystal structure of thrombin-variegin complex: Insights of a novel mechanism of inhibition and design of tunable thrombin inhibitors
Descriptor: Thrombin heavy chain, Thrombin light chain, Variegin
Authors:Koh, C.Y, Kumar, S, Swaminathan, K, Kini, R.M.
Deposit date:2011-07-20
Release date:2011-11-23
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of thrombin in complex with s-variegin: insights of a novel mechanism of inhibition and design of tunable thrombin inhibitors
Plos One, 6, 2011
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
8SR8
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BU of 8sr8 by Molmil
Cryo-EM structure of TRPM2 chanzyme in the presence of EDTA (apo state)
Descriptor: CHOLESTEROL, TRPM2 chanzyme
Authors:Huang, Y, Kumar, S, Lu, W, Du, J.
Deposit date:2023-05-05
Release date:2024-05-08
Method:ELECTRON MICROSCOPY (2.77 Å)
Cite:Coupling enzymatic activity and gating in an ancient TRPM chanzyme and its molecular evolution
To Be Published
8SRB
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BU of 8srb by Molmil
Cryo-EM structure of TRPM2 chanzyme in the presence of EDTA and ADP-ribose
Descriptor: ADENOSINE-5-DIPHOSPHORIBOSE, CHOLESTEROL, TRPM2 chanzyme
Authors:Huang, Y, Kumar, S, Lu, W, Du, J.
Deposit date:2023-05-05
Release date:2024-05-08
Method:ELECTRON MICROSCOPY (2.82 Å)
Cite:Coupling enzymatic activity and gating in an ancient TRPM chanzyme and its molecular evolution
To Be Published
8SRC
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BU of 8src by Molmil
Cryo-EM structure of TRPM2 chanzyme in the presence of Calcium and ADP-ribose
Descriptor: ADENOSINE-5-DIPHOSPHORIBOSE, CALCIUM ION, CHOLESTEROL, ...
Authors:Huang, Y, Kumar, S, Lu, W, Du, J.
Deposit date:2023-05-05
Release date:2024-05-08
Method:ELECTRON MICROSCOPY (2.92 Å)
Cite:Coupling enzymatic activity and gating in an ancient TRPM chanzyme and its molecular evolution
To Be Published
8SR7
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BU of 8sr7 by Molmil
Cryo-EM structure of TRPM2 chanzyme in the presence of Magnesium, Adenosine monophosphate, and Ribose-5-phosphate
Descriptor: 5-O-phosphono-beta-D-ribofuranose, ADENOSINE MONOPHOSPHATE, CHOLESTEROL, ...
Authors:Huang, Y, Kumar, S, Lu, W, Du, J.
Deposit date:2023-05-05
Release date:2024-05-08
Method:ELECTRON MICROSCOPY (1.97 Å)
Cite:Coupling enzymatic activity and gating in an ancient TRPM chanzyme and its molecular evolution
To Be Published
8SR9
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BU of 8sr9 by Molmil
Cryo-EM structure of TRPM2 chanzyme in the presence of Magnesium
Descriptor: CHOLESTEROL, MAGNESIUM ION, TRPM2 chanzyme
Authors:Huang, Y, Kumar, S, Lu, W, Du, J.
Deposit date:2023-05-05
Release date:2024-05-08
Method:ELECTRON MICROSCOPY (3.05 Å)
Cite:Coupling enzymatic activity and gating in an ancient TRPM chanzyme and its molecular evolution
To Be Published

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