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4O90
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CRYSTAL STRUCTURE OF CHORISMATE SYNTHASE FROM ACINETOBACTER BAUMANNII AT 2.6A RESOLUTION
Descriptor:Chorismate synthase, L(+)-TARTARIC ACID, GLYCEROL
Authors:Chaudhary, A., Singh, N., Shukla, P.K., Sinha, M., Bhushan, A., Kaur, P., Sharma, S., Singh, T.P.
Deposit date:2013-12-31
Release date:2014-01-22
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Crystal structure of chorismate synthase from Acinetobacter baumannii at 2.6A resolution
To be Published
4Q7N
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CRYSTAL STRUCTURE OF THE COMPLEX OF BUFFALO SIGNALLING PROTEIN SPB-40 WITH 4-N-TRIMETHYLAMINOBUTYRALDEHYDE AT 1.79 ANGSTROM RESOLUTION
Descriptor:Chitinase-3-like protein 1, 2-acetamido-2-deoxy-beta-D-glucopyranose, N,N,N-trimethyl-4-oxobutan-1-aminium
Authors:Chaudhary, A., Tyagi, T.K., Singh, A., Sinha, M., Bhushan, A., Kaur, P., Sharma, S., Singh, T.P.
Deposit date:2014-04-25
Release date:2014-05-21
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Crystal structure of the complex of Buffalo Signalling protein SPB-40 with 4-N-trimethylaminobutyraldehyde at 1.79 Angstrom Resolution
To be Published
4LJ2
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CRYSTAL STRUCTURE OF CHORISMATE SYNTHASE FROM ACINETOBACTER BAUMANNII AT 3.15A RESOLUTION
Descriptor:Chorismate synthase
Authors:Chaudhary, A., Singh, N., Kaushik, S., Tyagi, T.K., Sinha, M., Kaur, P., Sharma, S., Singh, T.P.
Deposit date:2013-07-04
Release date:2013-07-24
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Crystal structure of chorismate synthase from Acinetobacter baumannii at 3.15A resolution
To be Published
5Z05
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CRYSTAL STRUCTURE OF SIGNALLING PROTEIN FROM BUFFALO (SPB-40) WITH AN ACETONE INDUCED CONFORMATION OF TRP78 AT 1.49 A RESOLUTION
Descriptor:Chitinase-3-like protein 1, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, (4S)-2-METHYL-2,4-PENTANEDIOL, ...
Authors:Singh, P.K., Chaudhary, A., Tyagi, T.K., Kaur, P., Sharma, S., Singh, T.P.
Deposit date:2017-12-18
Release date:2018-01-31
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:A glycoprotein from mammary gland secreted during involution promotes apoptosis: Structural and biological studies
Arch. Biochem. Biophys., 644, 2018
5Z3S
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CRYSTAL STRUCTURE OF BUTANOL MODIFIED SIGNALING PROTEIN FROM BUFFALO (SPB-40) AT 1.65 A RESOLUTION
Descriptor:Chitinase-3-like protein 1, 2-acetamido-2-deoxy-beta-D-glucopyranose, (4S)-2-METHYL-2,4-PENTANEDIOL, ...
Authors:Singh, P.K., Chaudhary, A., Kaur, P., Sharma, S., Singh, T.P.
Deposit date:2018-01-08
Release date:2018-02-14
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:A glycoprotein from mammary gland secreted during involution promotes apoptosis: Structural and biological studies.
Arch. Biochem. Biophys., 644, 2018
5Z4W
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CRYSTAL STRUCTURE OF SIGNALLING PROTEIN FROM BUFFALO (SPB-40) WITH AN ALTERED CONFORMATION OF TRP78 AT 1.79 A RESOLUTION
Descriptor:Chitinase-3-like protein 1, 2-acetamido-2-deoxy-beta-D-glucopyranose, (4S)-2-METHYL-2,4-PENTANEDIOL, ...
Authors:Singh, P.K., Chaudhary, A., Tyagi, T.K., Kaur, P., Sharma, S., Singh, T.P.
Deposit date:2018-01-15
Release date:2018-02-14
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:A glycoprotein from mammary gland secreted during involution promotes apoptosis: Structural and biological studies.
Arch. Biochem. Biophys., 644, 2018
4OB9
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CRYSTAL STRUCTURE OF CHORISMATE SYNTHASE FROM ACINETOBACTER BAUMANNII AT 2.50A RESOLUTION
Descriptor:Chorismate synthase
Authors:Shukla, P.K., Chaudhary, A., Singh, N., Sinha, M., Bhushan, A., Kaur, P., Sharma, S., Singh, T.P.
Deposit date:2014-01-07
Release date:2014-01-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of chorismate synthase from Acinetobacter baumannii at 2.50A resolution
To be Published
4AN7
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KUNITZ TYPE TRYPSIN INHIBITOR COMPLEX WITH PORCINE TRYPSIN
Descriptor:TRYPSIN, TRYPSIN INHIBITOR, CALCIUM ION
Authors:Patil, D.N., Chaudhary, A., Kumar, P.
Deposit date:2012-03-15
Release date:2012-11-07
Last modified:2017-07-05
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
4MAV
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CRYSTAL STRUCTURE OF SIGNALING PROTEIN SPB-40 COMPLEXED WITH 5-HYDROXYMETHYL OXALANETRIOL AT 2.80 A RESOLUTION
Descriptor:Chitinase-3-like protein 1, 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ...
Authors:Yamini, S., Chaudhary, A., Sinha, M., Kaur, P., Sharma, S., Singh, T.P.
Deposit date:2013-08-17
Release date:2013-09-11
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Crystal structure of signaling protein SPB-40 complexed with 5-hydroxymethyl oxalanetriol at 2.80 A resolution
To be Published
4ML4
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CRYSTAL STRUCTURE OF THE COMPLEX OF SIGNALING GLYCOPROTEIN FROM BUFFALO (SPB-40) WITH TETRAHYDROPYRAN AT 2.5 A RESOLUTION
Descriptor:Chitinase-3-like protein 1, 2-acetamido-2-deoxy-beta-D-glucopyranose, TETRAHYDROPYRAN
Authors:Yamini, S., Chaudhary, A., Sinha, M., Kaur, P., Sharma, S., Singh, T.P.
Deposit date:2013-09-06
Release date:2013-09-25
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of the complex of signaling glycoprotein from buffalo (SPB-40) with tetrahydropyran at 2.5 A resolution
To be Published
4MPK
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CRYSTAL STRUCTURE OF THE COMPLEX OF BUFFALO SIGNALING PROTEIN SPB-40 WITH N-ACETYLGLUCOSAMINE AT 2.65 A RESOLUTION
Descriptor:Chitinase-3-like protein 1, 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL
Authors:Yamini, S., Chaudhary, A., Sinha, M., Kaur, P., Sharma, S., Singh, T.P.
Deposit date:2013-09-13
Release date:2013-11-06
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Crystal structure of the complex of buffalo signaling protein SPB-40 with N-acetylglucosamine at 2.65 A resolution
To be Published
4MTV
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CRYSTAL STRUCTURE OF THE COMPLEX OF BUFFALO SIGNALLING GLYCOPROTEIN WITH PENTASACCHARIDE AT 2.8A RESOLUTION
Descriptor:Chitinase-3-like protein 1, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Shukla, P.K., Chaudhary, A., Singh, A.K., Sinha, M., Kaur, P., Sharma, S., Singh, T.P.
Deposit date:2013-09-20
Release date:2013-10-16
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of the complex of Buffalo Signalling Glycoprotein with pentasaccharide at 2.8A resolution
To be Published
4NSB
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CRYSTAL STRUCTURE OF THE COMPLEX OF SIGNALING GLYCOPROTEIN, SPB-40 AND N-ACETYL SALICYLIC ACID AT 3.05 A RESOLUTION
Descriptor:Chitinase-3-like protein 1, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-(ACETYLOXY)BENZOIC ACID
Authors:Yamini, S., Chaudhary, A., Sinha, M., Kaur, P., Sharma, S., Singh, T.P.
Deposit date:2013-11-28
Release date:2013-12-11
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:Crystal structure of the complex of signaling glycoprotein, SPB-40 and N-acetyl salicylic acid at 3.05 A resolution
To be Published
5WUY
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CRYSTAL STRUCTURE OF CHORISMATE SYNTHASE FROM ACINETOBACTER BAUMANNII AT 2.50A RESOLUTION
Descriptor:Chorismate synthase
Authors:Iqbal, N., Chaudhary, A., Shukla, K.P., Kaur, P., Sharma, S., Singh, T.P.
Deposit date:2016-12-21
Release date:2017-01-18
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of chorismate synthase from Acinetobacter baumannii at 2.50A resolution
To Be Published
5Z9A
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CRYSTAL STRUCTURE OF CHORISMATE SYNTHASE FROM PSEUDOMONAS AERUGINOSA
Descriptor:Chorismate synthase
Authors:Iqbal, N., Chaudhary, A., Kaur, P., Sharma, S., Singh, T.P.
Deposit date:2018-02-02
Release date:2018-02-28
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Crystal structure of chorismate synthase from Pseudomonas aeruginosa
To Be Published
6JJ1
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CRYSTAL STRUCTURE OF PEPTIDYL-TRNA HYDROLASE FROM ACINETOBACTER BAUMANNII AT 0.97 A RESOLUTION WITH DISORDERED FIVE N-TERMINAL RESIDUES
Descriptor:Peptidyl-tRNA hydrolase, CHLORIDE ION, 1,2-ETHANEDIOL
Authors:Iqbal, N., Sharma, P., Chaudhary, A., Sharma, S., Singh, T.P.
Deposit date:2019-02-24
Release date:2019-03-13
Method:X-RAY DIFFRACTION (0.97 Å)
Cite:Crystal structure of peptidyl-tRNA hydrolase from Acinetobacter baumannii at 0.97 A resolution with disordered five N-terminal residues
To Be Published
4YMJ
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(R)-2-PHENYLPYRROLIDINE SUBSTITUTE IMIDAZOPYRIDAZINES: A NEW CLASS OF POTENT AND SELECTIVE PAN-TRK INHIBITORS
Descriptor:NT-3 growth factor receptor, 4-[6-(benzylamino)imidazo[1,2-b]pyridazin-3-yl]benzonitrile, GLYCEROL, ...
Authors:Kreusch, A., Rucker, P., Molteni, V., Loren, J.
Deposit date:2015-03-06
Release date:2015-06-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:(R)-2-Phenylpyrrolidine Substituted Imidazopyridazines: A New Class of Potent and Selective Pan-TRK Inhibitors.
Acs Med.Chem.Lett., 6, 2015
4YNE
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(R)-2-PHENYLPYRROLIDINE SUBSTITUTE IMIDAZOPYRIDAZINES: A NEW CLASS OF POTENT AND SELECTIVE PAN-TRK INHIBITORS
Descriptor:High affinity nerve growth factor receptor, 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(pyridin-2-yl)imidazo[1,2-b]pyridazine, SULFATE ION, ...
Authors:Kreusch, A., Rucker, P., Molteni, V., Loren, J.
Deposit date:2015-03-09
Release date:2015-06-03
Method:X-RAY DIFFRACTION (2.0229 Å)
Cite:(R)-2-Phenylpyrrolidine Substituted Imidazopyridazines: A New Class of Potent and Selective Pan-TRK Inhibitors.
Acs Med.Chem.Lett., 6, 2015
4YPS
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(R)-2-PHENYLPYRROLIDINE SUBSTITUTE IMIDAZOPYRIDAZINES: A NEW CLASS OF POTENT AND SELECTIVE PAN-TRK INHIBITORS
Descriptor:High affinity nerve growth factor receptor, 4-{6-[(3R)-3-(3-fluorophenyl)morpholin-4-yl]imidazo[1,2-b]pyridazin-3-yl}benzonitrile, SULFATE ION
Authors:Kreusch, A., Rucker, P., Molteni, V., Loren, J.
Deposit date:2015-03-13
Release date:2015-06-03
Method:X-RAY DIFFRACTION (2.1012 Å)
Cite:(R)-2-Phenylpyrrolidine Substituted Imidazopyridazines: A New Class of Potent and Selective Pan-TRK Inhibitors.
Acs Med.Chem.Lett., 6, 2015
6N0P
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BRAF IN COMPLEX WITH N-(3-(2-(2-HYDROXYETHOXY)-6-MORPHOLINOPYRIDIN-4-YL)-4-METHYLPHENYL)-2-(TRIFLUOROMETHYL)ISONICOTINAMIDE (LXH254)
Descriptor:Serine/threonine-protein kinase B-raf, N-{3-[2-(2-hydroxyethoxy)-6-(morpholin-4-yl)pyridin-4-yl]-4-methylphenyl}-2-(trifluoromethyl)pyridine-4-carboxamide
Authors:Mamo, M., Appleton, B.A.
Deposit date:2018-11-07
Release date:2019-09-04
Last modified:2020-03-18
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Design and Discovery ofN-(3-(2-(2-Hydroxyethoxy)-6-morpholinopyridin-4-yl)-4-methylphenyl)-2-(trifluoromethyl)isonicotinamide, a Selective, Efficacious, and Well-Tolerated RAF Inhibitor Targeting RAS Mutant Cancers: The Path to the Clinic.
J.Med.Chem., 63, 2020
6N0Q
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BRAF IN COMPLEX WITH N-(4-METHYL-3-(1-METHYL-2-OXO-2,3-DIHYDRO-1H-BENZO[D]IMIDAZOL-5-YL)PHENYL)-3-(TRIFLUOROMETHYL)BENZAMIDE.
Descriptor:Serine/threonine-protein kinase B-raf, N-[4-methyl-3-(1-methyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)phenyl]-3-(trifluoromethyl)benzamide
Authors:Mamo, M., Appleton, B.A.
Deposit date:2018-11-07
Release date:2019-10-23
Last modified:2020-03-18
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Design and Discovery ofN-(3-(2-(2-Hydroxyethoxy)-6-morpholinopyridin-4-yl)-4-methylphenyl)-2-(trifluoromethyl)isonicotinamide, a Selective, Efficacious, and Well-Tolerated RAF Inhibitor Targeting RAS Mutant Cancers: The Path to the Clinic.
J.Med.Chem., 63, 2020
3C43
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HUMAN DIPEPTIDYL PEPTIDASE IV/CD26 IN COMPLEX WITH A FLOUROOLEFIN INHIBITOR
Descriptor:Dipeptidyl peptidase 4, 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Scapin, G., Edmondson, S.D., Weber, A.E.
Deposit date:2008-01-29
Release date:2008-04-22
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Fluoroolefins as amide bond mimics in dipeptidyl peptidase IV inhibitors
Bioorg.Med.Chem.Lett., 18, 2008
3C45
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HUMAN DIPEPTIDYL PEPTIDASE IV/CD26 IN COMPLEX WITH A FLUOROOLEFIN INHIBITOR
Descriptor:Dipeptidyl peptidase 4, 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Scapin, G., Edmondson, S.D., Weber, A.E.
Deposit date:2008-01-29
Release date:2008-04-22
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Fluoroolefins as amide bond mimics in dipeptidyl peptidase IV inhibitors
Bioorg.Med.Chem.Lett., 18, 2008
4AN6
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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:2017-07-05
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
5ZS3
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SMALL HEAT SHOCK PROTEIN FROM M. MARINUM:FORM-1
Descriptor:Molecular chaperone (Small heat shock protein), GLY-ARG-LEU-LEU-PRO, SODIUM ION, ...
Authors:Bhandari, S., Suguna, K.
Deposit date:2018-04-27
Release date:2019-01-30
Last modified:2019-04-17
Method:X-RAY DIFFRACTION (2.001 Å)
Cite:Dodecameric structure of a small heat shock protein from Mycobacterium marinum M.
Proteins, 87, 2019
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数据于2020-07-29公开中