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7T7L
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BU of 7t7l by Molmil
Structure of human G9a SET-domain (EHMT2) in complex with covalent inhibitor (Compound 1)
Descriptor: Histone-lysine N-methyltransferase EHMT2, N-(6-methoxy-4-{[1-(propan-2-yl)piperidin-4-yl]amino}-7-[3-(pyrrolidin-1-yl)propoxy]quinazolin-2-yl)prop-2-enamide, N-(6-methoxy-4-{[1-(propan-2-yl)piperidin-4-yl]amino}-7-[3-(pyrrolidin-1-yl)propoxy]quinazolin-2-yl)propanamide, ...
Authors:Park, K.-S, Kumar, P.
Deposit date:2021-12-15
Release date:2022-07-06
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery of the First-in-Class G9a/GLP Covalent Inhibitors.
J.Med.Chem., 65, 2022
7T7M
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BU of 7t7m by Molmil
Structure of human GLP SET-domain (EHMT1) in complex with covalent inhibitor (Compound 1)
Descriptor: Histone-lysine N-methyltransferase EHMT1, N-(6-methoxy-4-{[1-(propan-2-yl)piperidin-4-yl]amino}-7-[3-(pyrrolidin-1-yl)propoxy]quinazolin-2-yl)prop-2-enamide, N-(6-methoxy-4-{[1-(propan-2-yl)piperidin-4-yl]amino}-7-[3-(pyrrolidin-1-yl)propoxy]quinazolin-2-yl)propanamide, ...
Authors:Park, K.-S, Kumar, P.
Deposit date:2021-12-15
Release date:2022-07-06
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Discovery of the First-in-Class G9a/GLP Covalent Inhibitors.
J.Med.Chem., 65, 2022
7X1X
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BU of 7x1x by Molmil
Crystal Structure of cis-4,5-dihydrodiol phthalate dehydrogenase in complex with NAD+
Descriptor: 4,5-dihydroxyphthalate dehydrogenase, GLYCEROL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Sharma, M, Mahto, J.K, Kumar, P.
Deposit date:2022-02-24
Release date:2022-09-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.77 Å)
Cite:Conformational flexibility enables catalysis of phthalate cis-4,5-dihydrodiol dehydrogenase.
Arch.Biochem.Biophys., 727, 2022
7X2Y
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BU of 7x2y by Molmil
Crystal Structure of cis-4,5-dihydrodiol phthalate dehydrogenase in complex with NAD+ and 3-Hydroxybenzoate
Descriptor: 3-HYDROXYBENZOIC ACID, 4,5-dihydroxyphthalate dehydrogenase, DI(HYDROXYETHYL)ETHER, ...
Authors:Sharma, M, Mahto, J.K, Kumar, P.
Deposit date:2022-02-26
Release date:2022-09-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Conformational flexibility enables catalysis of phthalate cis-4,5-dihydrodiol dehydrogenase.
Arch.Biochem.Biophys., 727, 2022
7WZD
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BU of 7wzd by Molmil
Crystal Structure of cis-4,5-dihydrodiol phthalate dehydrogenase from Comamonas testosteroni KF1
Descriptor: 4,5-dihydroxyphthalate dehydrogenase, GLYCEROL
Authors:Sharma, M, Mahto, J.K, Kumar, P.
Deposit date:2022-02-17
Release date:2022-09-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Conformational flexibility enables catalysis of phthalate cis-4,5-dihydrodiol dehydrogenase.
Arch.Biochem.Biophys., 727, 2022
7DLK
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BU of 7dlk by Molmil
Crystal Structure of veratryl alcohol bound Dye Decolorizing peroxidase from Bacillus subtilis
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, ...
Authors:Dhankhar, P, Dalal, V, Kumar, P.
Deposit date:2020-11-27
Release date:2021-11-03
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure of dye-decolorizing peroxidase from Bacillus subtilis in complex with veratryl alcohol.
Int.J.Biol.Macromol., 193, 2021
7E5Q
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BU of 7e5q by Molmil
Crystal Structure of Dye Decolorizing peroxidase from Bacillus subtilis at acidic pH
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, CITRIC ACID, ...
Authors:Dhankhar, P, Dalal, V, Kumar, P.
Deposit date:2021-02-19
Release date:2022-08-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural insights at acidic pH of dye-decolorizing peroxidase from Bacillus subtilis.
Proteins, 2022
3IIR
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BU of 3iir by Molmil
Crystal Structure of Miraculin like protein from seeds of Murraya koenigii
Descriptor: Trypsin inhibitor
Authors:Gahloth, D, Selvakumar, P, Shee, C, Kumar, P, Sharma, A.K.
Deposit date:2009-08-03
Release date:2009-12-08
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Cloning, sequence analysis and crystal structure determination of a miraculin-like protein from Murraya koenigii
Arch.Biochem.Biophys., 494, 2010
1LJX
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BU of 1ljx by Molmil
THE STRUCTURE OF D(TPGPCPGPCPA)2 AT 293K: COMPARISON OF THE EFFECT OF SEQUENCE AND TEMPERATURE
Descriptor: 5'-D(*TP*GP*CP*GP*CP*A)-3', MAGNESIUM ION
Authors:Thiyagarajan, S, Satheesh Kumar, P, Rajan, S.S, Gautham, N.
Deposit date:2002-04-23
Release date:2002-05-03
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Structure of d(TGCGCA)2 at 293 K: comparison of the effects of sequence and temperature.
Acta Crystallogr.,Sect.D, 58, 2002
5G4B
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BU of 5g4b by Molmil
Crystal structure of Aura virus capsid protein in complex with piperazine.
Descriptor: CAPSID PROTEIN, piperazine
Authors:Aggarwal, M, Kumar, P, Tomar, S.
Deposit date:2016-05-08
Release date:2016-07-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Crystal Structure of Capsid Protein from Aura Virus in Complex with Piperazine
To be Published
6DGC
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BU of 6dgc by Molmil
Crystal structure of the C-terminal catalytic domain of ISC1926 TnpA, an IS607-like serine recombinase
Descriptor: ISC1926 TnpA C-terminal catalytic domain
Authors:Hancock, S.P, Kumar, P, Cascio, D, Johnson, R.C.
Deposit date:2018-05-17
Release date:2018-07-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.92 Å)
Cite:Multiple serine transposase dimers assemble the transposon-end synaptic complex during IS607-family transposition.
Elife, 7, 2018
3MGZ
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BU of 3mgz by Molmil
Crystal structure of DHBPS domain of bi-functional DHBPS/GTP cyclohydrolase II from Mycobacterium tuberculosis at pH 4.0
Descriptor: 3,4-dihydroxy-2-butanone 4-phosphate synthase, SULFATE ION
Authors:Singh, M, Kumar, P, Karthikeyan, S.
Deposit date:2010-04-07
Release date:2011-02-23
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Structural basis for pH dependent monomer-dimer transition of 3,4-dihydroxy 2-butanone-4-phosphate synthase domain from Mycobacterium tuberculosis
J.Struct.Biol., 174, 2011
7FHR
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BU of 7fhr by Molmil
Crystal Structure of a Rieske Oxygenase from Cupriavidus metallidurans
Descriptor: 1,2-ETHANEDIOL, FE (II) ION, FE2/S2 (INORGANIC) CLUSTER, ...
Authors:Mahto, J.K, Dhankhar, P, Kumar, P.
Deposit date:2021-07-30
Release date:2021-12-15
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Molecular insights into substrate recognition and catalysis by phthalate dioxygenase from Comamonas testosteroni.
J.Biol.Chem., 297, 2021
6LLA
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BU of 6lla by Molmil
Crystal structure of Providencia alcalifaciens 3-dehydroquinate synthase (DHQS) in complex with Mg2+ and NAD
Descriptor: 1,2-ETHANEDIOL, 3-dehydroquinate synthase, DI(HYDROXYETHYL)ETHER, ...
Authors:Neetu, N, Katiki, M, Kumar, P.
Deposit date:2019-12-22
Release date:2020-07-29
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Structural and Biochemical Analyses Reveal that Chlorogenic Acid Inhibits the Shikimate Pathway.
J.Bacteriol., 202, 2020
1I6Q
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BU of 1i6q by Molmil
Formation of a protein intermediate and its trapping by the simultaneous crystallization process: Crystal structure of an iron-saturated intermediate in the FE3+ binding pathway of camel lactoferrin at 2.7 resolution
Descriptor: CARBONATE ION, FE (III) ION, LACTOFERRIN
Authors:Khan, J.A, Kumar, P, Srinivasan, A, Singh, T.P.
Deposit date:2001-03-03
Release date:2001-11-07
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Protein intermediate trapped by the simultaneous crystallization process. Crystal structure of an iron-saturated intermediate in the Fe3+ binding pathway of camel lactoferrin at 2.7 a resolution.
J.Biol.Chem., 276, 2001
7V25
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BU of 7v25 by Molmil
Crystal Structure of phthalate dioxygenase in complex with phthalate
Descriptor: FE (II) ION, FE2/S2 (INORGANIC) CLUSTER, PHTHALIC ACID, ...
Authors:Mahto, J.K, Kumar, P.
Deposit date:2021-08-07
Release date:2021-12-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.74 Å)
Cite:Molecular insights into substrate recognition and catalysis by phthalate dioxygenase from Comamonas testosteroni.
J.Biol.Chem., 297, 2021
7V28
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BU of 7v28 by Molmil
Crystal Structure of phthalate dioxygenase in complex with terephthalate
Descriptor: FE (II) ION, FE2/S2 (INORGANIC) CLUSTER, Rieske (2Fe-2S) domain protein, ...
Authors:Mahto, J.K, Kumar, P.
Deposit date:2021-08-07
Release date:2021-12-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.07 Å)
Cite:Molecular insights into substrate recognition and catalysis by phthalate dioxygenase from Comamonas testosteroni.
J.Biol.Chem., 297, 2021
3ZHW
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BU of 3zhw by Molmil
X-ray Crystallographic Structural Characteristics of Arabidopsis Hemoglobin I and their Functional Implications
Descriptor: NON-SYMBIOTIC HEMOGLOBIN 1, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
Authors:Mukhi, N, Dhindwal, S, Uppal, S, Kumar, P, Kaur, J, Kundu, S.
Deposit date:2012-12-30
Release date:2013-03-06
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:X-Ray Crystallographic Structural Characteristics of Arabidopsis Hemoglobin I and Their Functional Implications
Biochim.Biophys.Acta, 1834, 2013
1DTZ
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BU of 1dtz by Molmil
STRUCTURE OF CAMEL APO-LACTOFERRIN DEMONSTRATES ITS DUAL ROLE IN SEQUESTERING AND TRANSPORTING FERRIC IONS SIMULTANEOUSLY:CRYSTAL STRUCTURE OF CAMEL APO-LACTOFERRIN AT 2.6A RESOLUTION.
Descriptor: APO LACTOFERRIN
Authors:Khan, J.A, Kumar, P, Paramasivam, M, Srinivasan, A, Yadav, R.S, Sahani, M.S, Singh, T.P.
Deposit date:2000-01-13
Release date:2001-06-20
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Camel lactoferrin, a transferrin-cum-lactoferrin: crystal structure of camel apolactoferrin at 2.6 A resolution and structural basis of its dual role.
J.Mol.Biol., 309, 2001
4AN6
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BU of 4an6 by Molmil
Kuntiz type trypsin inhibitor with factor Xa inhibitory activity
Descriptor: TRYPSIN INHIBITOR
Authors:Patil, D.N, Kumar, P.
Deposit date:2012-03-15
Release date:2012-11-07
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Structural Basis for Dual Inhibitory Role of Tamarind Kunitz Inhibitor (Tki) Against Factor Xa and Trypsin.
FEBS J., 279, 2012
4AN7
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BU of 4an7 by Molmil
Kunitz type trypsin inhibitor complex with porcine trypsin
Descriptor: CALCIUM ION, TRYPSIN, TRYPSIN INHIBITOR
Authors:Patil, D.N, Chaudhary, A, Kumar, P.
Deposit date:2012-03-15
Release date:2012-11-07
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Structural Basis for Dual Inhibitory Role of Tamarind Kunitz Inhibitor (Tki) Against Factor Xa and Trypsin.
FEBS J., 279, 2012
5FTW
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BU of 5ftw by Molmil
Crystal structure of glutamate O-methyltransferase in complex with S- adenosyl-L-homocysteine (SAH) from Bacillus subtilis
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHEMOTAXIS PROTEIN METHYLTRANSFERASE, GLYCEROL, ...
Authors:Sharma, R, Dhindwal, S, Batra, M, Aggarwal, M, Kumar, P, Tomar, S.
Deposit date:2016-01-18
Release date:2016-10-05
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structure of Pentapeptide-Independent Chemotaxis Receptor Methyltransferase (Cher) Reveals Idiosyncratic Structural Determinants for Receptor Recognition.
J.Struct.Biol., 196, 2016
3ZQ7
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BU of 3zq7 by Molmil
The Structure of DNA-binding domain of response regulator from Escherichia coli K-12
Descriptor: KDP OPERON TRANSCRIPTIONAL REGULATORY PROTEIN KDPE
Authors:Patil, D.N, Tomar, S, Kumar, P.
Deposit date:2011-06-08
Release date:2012-03-21
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:Structure-Function Studies of DNA Binding Domain of Response Regulator Kdpe Reveals Equal Affinity Interactions at DNA Half-Sites.
Plos One, 7, 2012
4C44
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BU of 4c44 by Molmil
Crystal Structure of Truncated Plant Hemoglobin from Arabidopsis thaliana
Descriptor: 2-ON-2 HEMOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, SODIUM ION
Authors:Mukhi, N, Dhindwal, S, Kumar, P, Kaur, J, Kundu, S.
Deposit date:2013-08-30
Release date:2014-09-17
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:X-Ray Crystallographic Structural Characteristics of Truncated Hemoglobin from Arabidopsis Thaliana
To be Published
4U36
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BU of 4u36 by Molmil
Crystal structure of a seed lectin from Vatairea macrocarpa complexed with Tn-antigen
Descriptor: 2-acetamido-2-deoxy-alpha-D-galactopyranose, CALCIUM ION, CITRIC ACID, ...
Authors:Sousa, B.L, Silva-Filho, J.C, Kumar, P, Lyskowski, A, Bezerra, G.A, Delatorre, P, Rocha, B.A.M, Nagano, C.S, Gruber, K, Cavada, B.S.
Deposit date:2014-07-18
Release date:2014-12-31
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:High-resolution structure of a new Tn antigen-binding lectin from Vatairea macrocarpa and a comparative analysis of Tn-binding legume lectins.
Int.J.Biochem.Cell Biol., 59C, 2014

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