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5NRF
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CRYSTAL STRUCTURE OF HUMAN CHITOTRIOSIDASE-1 (HCHIT) CATALYTIC DOMAIN IN COMPLEX WITH COMPOUND 7I
Descriptor:Chitotriosidase-1, 1-(3-azanyl-1~{H}-1,2,4-triazol-5-yl)-~{N}-[2-(4-chlorophenyl)ethyl]-~{N}-(phenylmethyl)piperidin-4-amine, GLYCEROL
Authors:Mazur, M., Olczak, J., Olejniczak, S., Koralewski, R., Czestkowski, W., Jedrzejczak, A., Golab, J., Dzwonek, K., Dymek, B., Sklepkiewicz, P., Zagozdzon, A., Noonan, T., Mahboubi, K., Conway, B., Sheeler, R., Beckett, P., Hungerford, W.M., Podjarny, A., Mitschler, A., Cousido-Siah, A., Fadel, F., Golebiowski, A.
Deposit date:2017-04-22
Release date:2018-03-28
Method:X-RAY DIFFRACTION (1.447 Å)
Cite:Targeting Acidic Mammalian chitinase Is Effective in Animal Model of Asthma.
J. Med. Chem., 61, 2018
5NRA
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CRYSTAL STRUCTURE OF HUMAN CHITOTRIOSIDASE-1 (HCHIT) CATALYTIC DOMAIN IN COMPLEX WITH COMPOUND 7G
Descriptor:Chitotriosidase-1, 1-(5-azanyl-4~{H}-1,2,4-triazol-3-yl)-~{N}-[2-(4-bromophenyl)ethyl]-~{N}-(2-methylpropyl)piperidin-4-amine, GLYCEROL
Authors:Mazur, M., Olczak, J., Olejniczak, S., Koralewski, R., Czestkowski, W., Jedrzejczak, A., Golab, J., Dzwonek, K., Dymek, B., Sklepkiewicz, P., Zagozdzon, A., Noonan, T., Mahboubi, K., Conway, B., Sheeler, R., Beckett, P., Hungerford, W.M., Podjarny, A., Mitschler, A., Cousido-Siah, A., Fadel, F., Golebiowski, A.
Deposit date:2017-04-22
Release date:2018-03-28
Method:X-RAY DIFFRACTION (1.267 Å)
Cite:Targeting Acidic Mammalian chitinase Is Effective in Animal Model of Asthma.
J. Med. Chem., 61, 2018
1G27
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CRYSTAL STRUCTURE OF E.COLI POLYPEPTIDE DEFORMYLASE COMPLEXED WITH THE INHIBITOR BB-3497
Descriptor:POLYPEPTIDE DEFORMYLASE, NICKEL (II) ION, 2-[(FORMYL-HYDROXY-AMINO)-METHYL]-HEXANOIC ACID (1-DIMETHYLCARBAMOYL-2,2-DIMETHYL-PROPYL)-AMIDE
Authors:Clements, J.M., Beckett, P., Brown, A., Catlin, C., Lobell, M., Palan, S., Thomas, W., Whittaker, M., Baker, P.J., Rodgers, H.F., Barynin, V., Rice, D.W., Hunter, M.G.
Deposit date:2000-10-17
Release date:2001-10-17
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Antibiotic activity and characterization of BB-3497, a novel peptide deformylase inhibitor.
Antimicrob.Agents Chemother., 45, 2001
1G2A
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THE CRYSTAL STRUCTURE OF E.COLI PEPTIDE DEFORMYLASE COMPLEXED WITH ACTINONIN
Descriptor:POLYPEPTIDE DEFORMYLASE, NICKEL (II) ION, ACTINONIN
Authors:Clements, J.M., Beckett, P., Brown, A., Catlin, C., Lobell, M., Palan, S., Thomas, W., Whittaker, M., Baker, P.J., Rodgers, H.F., Barynin, V., Rice, D.W., Hunter, M.G.
Deposit date:2000-10-18
Release date:2001-10-17
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Antibiotic activity and characterization of BB-3497, a novel peptide deformylase inhibitor.
Antimicrob.Agents Chemother., 45, 2001
4HWW
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CRYSTAL STRUCTURE OF HUMAN ARGINASE-1 COMPLEXED WITH INHIBITOR 9
Descriptor:Arginase-1, [(5R)-5-amino-5-carboxy-7-(piperidin-1-yl)heptyl](trihydroxy)borate(1-), MANGANESE (II) ION
Authors:Cousido-Siah, A., Mitschler, A., Ruiz, F.X., Whitehouse, D.L., Golebiowski, A., Ji, M., Zhang, M., Beckett, P., Sheeler, R., Andreoli, M., Conway, B., Mahboubi, K., Schroeter, H., Van Zandt, M.C., Podjarny, A.
Deposit date:2012-11-09
Release date:2013-03-20
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.298 Å)
Cite:Discovery of (R)-2-Amino-6-borono-2-(2-(piperidin-1-yl)ethyl)hexanoic Acid and Congeners As Highly Potent Inhibitors of Human Arginases I and II for Treatment of Myocardial Reperfusion Injury.
J.Med.Chem., 56, 2013
4HXQ
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CRYSTAL STRUCTURE OF HUMAN ARGINASE-1 COMPLEXED WITH INHIBITOR 14
Descriptor:Arginase-1, [(5R)-5-carboxy-5-(methylamino)-7-(piperidin-1-yl)heptyl](trihydroxy)borate(1-), MANGANESE (II) ION
Authors:Cousido-Siah, A., Mitschler, A., Ruiz, F.X., Whitehouse, D.L., Golebiowski, A., Ji, M., Zhang, M., Beckett, P., Sheeler, R., Andreoli, M., Conway, B., Mahboubi, K., Schroeter, H., Van Zandt, M.C., Podjarny, A.
Deposit date:2012-11-12
Release date:2013-03-20
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Discovery of (R)-2-Amino-6-borono-2-(2-(piperidin-1-yl)ethyl)hexanoic Acid and Congeners As Highly Potent Inhibitors of Human Arginases I and II for Treatment of Myocardial Reperfusion Injury.
J.Med.Chem., 56, 2013
4HZE
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CRYSTAL STRUCTURE OF HUMAN ARGINASE-2 COMPLEXED WITH INHIBITOR 9
Descriptor:Arginase-2, mitochondrial, MANGANESE (II) ION, ...
Authors:Cousido-Siah, A., Mitschler, A., Ruiz, F.X., Whitehouse, D.L., Golebiowski, A., Ji, M., Zhang, M., Beckett, P., Sheeler, R., Andreoli, M., Conway, B., Mahboubi, K., Schroeter, H., Van Zandt, M.C., Podjarny, A.
Deposit date:2012-11-15
Release date:2013-03-20
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.602 Å)
Cite:Discovery of (R)-2-Amino-6-borono-2-(2-(piperidin-1-yl)ethyl)hexanoic Acid and Congeners As Highly Potent Inhibitors of Human Arginases I and II for Treatment of Myocardial Reperfusion Injury.
J.Med.Chem., 56, 2013
4I06
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CRYSTAL STRUCTURE OF HUMAN ARGINASE-2 COMPLEXED WITH INHIBITOR 14
Descriptor:Arginase-2, mitochondrial, MANGANESE (II) ION, ...
Authors:Cousido-Siah, A., Mitschler, A., Ruiz, F.X., Whitehouse, D.L., Golebiowski, A., Ji, M., Zhang, M., Beckett, P., Sheeler, R., Andreoli, M., Conway, B., Mahboubi, K., Schroeter, H., Van Zandt, M.C., Podjarny, A.
Deposit date:2012-11-16
Release date:2013-03-20
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Discovery of (R)-2-Amino-6-borono-2-(2-(piperidin-1-yl)ethyl)hexanoic Acid and Congeners As Highly Potent Inhibitors of Human Arginases I and II for Treatment of Myocardial Reperfusion Injury.
J.Med.Chem., 56, 2013
4IE1
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CRYSTAL STRUCTURE OF HUMAN ARGINASE-1 COMPLEXED WITH INHIBITOR 1H
Descriptor:Arginase-1, [(5R)-5-amino-5-carboxy-8-hydroxyoctyl](trihydroxy)borate(1-), MANGANESE (II) ION
Authors:Cousido-Siah, A., Mitschler, A., Ruiz, F.X., Beckett, P., Van Zandt, M.C., Ji, M.K., Whitehouse, D., Ryder, T., Jagdmann, E., Andreoli, M., Mazur, A., Padmanilayam, M., Schroeter, H., Golebiowski, A., Podjarny, A.
Deposit date:2012-12-13
Release date:2013-03-20
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.0006 Å)
Cite:2-Substituted-2-amino-6-boronohexanoic acids as arginase inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
4IE2
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CRYSTAL STRUCTURE OF HUMAN ARGINASE-2 COMPLEXED WITH INHIBITOR 1H
Descriptor:Arginase-2, mitochondrial, MANGANESE (II) ION, ...
Authors:Cousido-Siah, A., Mitschler, A., Ruiz, F.X., Beckett, P., Van Zandt, M.C., Ji, M.K., Whitehouse, D., Ryder, T., Jagdmann, E., Andreoli, M., Mazur, A., Padmanilayam, M., Schroeter, H., Golebiowski, A., Podjarny, A.
Deposit date:2012-12-13
Release date:2013-03-20
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.2082 Å)
Cite:2-Substituted-2-amino-6-boronohexanoic acids as arginase inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
4IE3
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CRYSTAL STRUCTURE OF HUMAN ARGINASE-2 COMPLEXED WITH INHBITOR 1O
Descriptor:Arginase-2, mitochondrial, MANGANESE (II) ION, ...
Authors:Cousido-Siah, A., Mitschler, A., Ruiz, F.X., Beckett, P., Van Zandt, M.C., Ji, M.K., Whitehouse, D., Ryder, T., Jagdmann, E., Andreoli, M., Mazur, A., Padmanilayam, M., Schroeter, H., Golebiowski, A., Podjarny, A.
Deposit date:2012-12-13
Release date:2013-03-20
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.3522 Å)
Cite:2-Substituted-2-amino-6-boronohexanoic acids as arginase inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
4IXU
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CRYSTAL STRUCTURE OF HUMAN ARGINASE-2 COMPLEXED WITH INHIBITOR 11D: {(5R)-5-AMINO-5-CARBOXY-5-[(3-ENDO)-8-(3,4-DICHLOROBENZYL)-8-AZABICYCLO[3.2.1]OCT-3-YL]PENTYL}(TRIHYDROXY)BORATE(1-)
Descriptor:Arginase-2, mitochondrial, MANGANESE (II) ION, ...
Authors:Cousido-Siah, A., Mitschler, A., Ruiz, F.X., Whitehouse, D., Beckett, P., Van Zandt, M.C., Ji, M.K., Ryder, T., Jagdmann, R., Andreoli, M., Olczak, J., Mazur, M., Czestkowski, W., Piotrowska, W., Schroeter, H., Golebiowski, A., Podjarny, A.
Deposit date:2013-01-28
Release date:2013-12-11
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Synthesis of quaternary alpha-amino acid-based arginase inhibitors via the Ugi reaction.
Bioorg.Med.Chem.Lett., 23, 2013
4IXV
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CRYSTAL STRUCTURE OF HUMAN ARGINASE-2 COMPLEXED WITH INHIBITOR 2D: {(5R)-5-AMINO-5-CARBOXY-5-[1-(4-CHLOROBENZYL)PIPERIDIN-4-YL]PENTYL}(TRIHYDROXY)BORATE(1-)
Descriptor:Arginase-2, mitochondrial, MANGANESE (II) ION, ...
Authors:Cousido-Siah, A., Mitschler, A., Ruiz, F.X., Whitehouse, D., Beckett, P., Van Zandt, M.C., Ji, M.K., Ryder, T., Jagdmann, R., Andreoli, M., Olczak, J., Mazur, M., Czestkowski, W., Piotrowska, W., Schroeter, H., Golebiowski, A., Podjarny, A.
Deposit date:2013-01-28
Release date:2013-12-11
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Synthesis of quaternary alpha-amino acid-based arginase inhibitors via the Ugi reaction.
Bioorg.Med.Chem.Lett., 23, 2013
5NR8
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CRYSTAL STRUCTURE OF HUMAN CHITOTRIOSIDASE-1 (HCHIT) CATALYTIC DOMAIN IN COMPLEX WITH COMPOUND 7A
Descriptor:Chitotriosidase-1, 1-(3-azanyl-1~{H}-1,2,4-triazol-5-yl)-~{N}-[2-(4-bromophenyl)ethyl]-~{N}-methyl-piperidin-4-amine, GLYCEROL
Authors:Podjarny, A., Fadel, F., Golebiowski, A.
Deposit date:2017-04-22
Release date:2018-02-21
Method:X-RAY DIFFRACTION (1.349 Å)
Cite:Targeting Acidic Mammalian chitinase Is Effective in Animal Model of Asthma.
J. Med. Chem., 61, 2018