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7Q25
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BU of 7q25 by Molmil
Crystal structure of Angiotensin-1 converting enzyme N-domain in complex with dual ACE/NEP inhibitor AD012
Descriptor: (2~{S})-2-[[(2~{S})-1-[[(2~{S})-3-(4-hydroxyphenyl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-4-phenyl-butanoic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Cozier, G.E, Acharya, K.R.
Deposit date:2021-10-23
Release date:2022-02-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Probing the Requirements for Dual Angiotensin-Converting Enzyme C-Domain Selective/Neprilysin Inhibition.
J.Med.Chem., 65, 2022
7Q24
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BU of 7q24 by Molmil
Crystal structure of Angiotensin-1 converting enzyme N-domain in complex with dual ACE/NEP inhibitor AD011
Descriptor: (2~{S})-2-[[(2~{S})-1-[[(2~{S})-3-(1~{H}-indol-3-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-4-phenyl-butanoic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Cozier, G.E, Acharya, K.R.
Deposit date:2021-10-23
Release date:2022-02-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2 Å)
Cite:Probing the Requirements for Dual Angiotensin-Converting Enzyme C-Domain Selective/Neprilysin Inhibition.
J.Med.Chem., 65, 2022
7Q28
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BU of 7q28 by Molmil
Crystal structure of Angiotensin-1 converting enzyme C-domain in complex with dual ACE/NEP inhibitor AD012
Descriptor: (2~{S})-2-[[(2~{S})-1-[[(2~{S})-3-(4-hydroxyphenyl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-4-phenyl-butanoic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Cozier, G.E, Acharya, K.R.
Deposit date:2021-10-23
Release date:2022-02-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Probing the Requirements for Dual Angiotensin-Converting Enzyme C-Domain Selective/Neprilysin Inhibition.
J.Med.Chem., 65, 2022
7Q29
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BU of 7q29 by Molmil
Crystal structure of Angiotensin-1 converting enzyme C-domain in complex with dual ACE/NEP inhibitor AD013
Descriptor: (2~{S},5~{R})-5-(4-methylphenyl)-1-[2-[[(2~{S})-1-oxidanyl-1-oxidanylidene-4-phenyl-butan-2-yl]amino]ethanoyl]pyrrolidine-2-carboxylic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Cozier, G.E, Acharya, K.R.
Deposit date:2021-10-23
Release date:2022-02-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Probing the Requirements for Dual Angiotensin-Converting Enzyme C-Domain Selective/Neprilysin Inhibition.
J.Med.Chem., 65, 2022
7Q27
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BU of 7q27 by Molmil
Crystal structure of Angiotensin-1 converting enzyme C-domain in complex with dual ACE/NEP inhibitor AD011
Descriptor: (2~{S})-2-[[(2~{S})-1-[[(2~{S})-3-(1~{H}-indol-3-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-4-phenyl-butanoic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Cozier, G.E, Acharya, K.R.
Deposit date:2021-10-23
Release date:2022-02-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Probing the Requirements for Dual Angiotensin-Converting Enzyme C-Domain Selective/Neprilysin Inhibition.
J.Med.Chem., 65, 2022
7Q26
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BU of 7q26 by Molmil
Crystal structure of Angiotensin-1 converting enzyme N-domain in complex with dual ACE/NEP inhibitor AD013
Descriptor: (2~{S},5~{R})-5-(4-methylphenyl)-1-[2-[[(2~{S})-1-oxidanyl-1-oxidanylidene-4-phenyl-butan-2-yl]amino]ethanoyl]pyrrolidine-2-carboxylic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Cozier, G.E, Acharya, K.R.
Deposit date:2021-10-23
Release date:2022-02-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Probing the Requirements for Dual Angiotensin-Converting Enzyme C-Domain Selective/Neprilysin Inhibition.
J.Med.Chem., 65, 2022
6ZPU
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BU of 6zpu by Molmil
Crystal structure of Angiotensin-1 converting enzyme C-domain with inserted symmetry molecule C-terminus.
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ...
Authors:Cozier, G.E, Acharya, K.R.
Deposit date:2020-07-09
Release date:2020-10-28
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2 Å)
Cite:Angiotensin-converting enzyme open for business: structural insights into the subdomain dynamics.
Febs J., 288, 2021
6ZPT
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BU of 6zpt by Molmil
Crystal structure of the open conformation of S2_S'-mutant human Angiotensin-1 converting enzyme N-domain.
Descriptor: 1,2-ETHANEDIOL, 2-(2-METHOXYETHOXY)ETHANOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Cozier, G.E, Acharya, K.R.
Deposit date:2020-07-09
Release date:2020-10-28
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Angiotensin-converting enzyme open for business: structural insights into the subdomain dynamics.
Febs J., 288, 2021
6ZPQ
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BU of 6zpq by Molmil
Crystal structure of the open conformation of Angiotensin-1 converting enzyme N-domain.
Descriptor: 1,2-ETHANEDIOL, 2-METHOXYETHANOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Cozier, G.E, Acharya, K.R.
Deposit date:2020-07-09
Release date:2020-10-28
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Angiotensin-converting enzyme open for business: structural insights into the subdomain dynamics.
Febs J., 288, 2021
3GAL
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BU of 3gal by Molmil
CRYSTAL STRUCTURE OF HUMAN GALECTIN-7 IN COMPLEX WITH GALACTOSAMINE
Descriptor: 2-amino-2-deoxy-beta-D-galactopyranose, GALECTIN-7
Authors:Leonidas, D.D, Acharya, K.R.
Deposit date:1998-07-13
Release date:1998-11-04
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural basis for the recognition of carbohydrates by human galectin-7.
Biochemistry, 37, 1998
5L44
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BU of 5l44 by Molmil
Structure of K-26-DCP in complex with the K-26 tripeptide
Descriptor: K-26 dipeptidyl carboxypeptidase, MAGNESIUM ION, N-ACETYL-L-ILE-L-TYR-(R)-1-AMINO-2-(4-HYDROXYPHENYL)ETHYLPHOSPHONIC ACID, ...
Authors:Masuyer, G, Acharya, K.R, Kramer, G.J, Bachmann, B.O.
Deposit date:2016-05-24
Release date:2016-10-26
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal structure of a peptidyl-dipeptidase K-26-DCP from Actinomycete in complex with its natural inhibitor.
FEBS J., 283, 2016
5L43
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BU of 5l43 by Molmil
Structure of K26-DCP
Descriptor: K-26 dipeptidyl carboxypeptidase, MAGNESIUM ION, SULFATE ION, ...
Authors:Masuyer, G, Acharya, K.R, Kramer, G.J, Bachmann, B.O.
Deposit date:2016-05-24
Release date:2016-10-26
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of a peptidyl-dipeptidase K-26-DCP from Actinomycete in complex with its natural inhibitor.
FEBS J., 283, 2016
6EN6
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BU of 6en6 by Molmil
Crystal structure B of the Angiotensin-1 converting enzyme N-domain in complex with a diprolyl inhibitor.
Descriptor: (2~{S})-1-[(2~{S})-2-[[(1~{S})-1-[(2~{S})-1-[(2~{S})-2-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl]pyrrolidin-2-yl]-2-oxidanyl-2-oxidanylidene-ethyl]amino]propanoyl]pyrrolidine-2-carboxylic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Cozier, G.E, Acharya, K.R, Fienberg, S, Chibale, K, Sturrock, E.D.
Deposit date:2017-10-04
Release date:2018-03-07
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The Design and Development of a Potent and Selective Novel Diprolyl Derivative That Binds to the N-Domain of Angiotensin-I Converting Enzyme.
J. Med. Chem., 61, 2018
4S2R
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BU of 4s2r by Molmil
Crystal structure of X-prolyl aminopeptidase from Caenorhabditis elegans: a cytosolic enzyme with a di-nuclear active site
Descriptor: Protein APP-1, ZINC ION
Authors:Iyer, S, La-Borde, P, Payne, K.A.P, Parsons, M.R, Turner, A.J, Isaac, R.E, Acharya, K.R.
Deposit date:2015-01-22
Release date:2015-04-22
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.949 Å)
Cite:Crystal structure of X-prolyl aminopeptidase from Caenorhabditis elegans: A cytosolic enzyme with a di-nuclear active site.
FEBS Open Bio, 5, 2015
6XVP
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BU of 6xvp by Molmil
Crystal structure of Neprilysin in complex with Sampatrilat.
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Neprilysin, ...
Authors:Cozier, G.E, Acharya, K.R, Sharma, U.
Deposit date:2020-01-22
Release date:2020-05-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Molecular Basis for Omapatrilat and Sampatrilat Binding to Neprilysin-Implications for Dual Inhibitor Design with Angiotensin-Converting Enzyme.
J.Med.Chem., 63, 2020
4S2T
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BU of 4s2t by Molmil
Crystal structure of X-prolyl aminopeptidase from Caenorhabditis elegans: a cytosolic enzyme with a di-nuclear active site
Descriptor: Protein APP-1, SULFATE ION, ZINC ION, ...
Authors:Iyer, S, La-Borde, P, Payne, K.A.P, Parsons, M.R, Turner, A.J, Isaac, R.E, Acharya, K.R.
Deposit date:2015-01-22
Release date:2015-04-22
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Crystal structure of X-prolyl aminopeptidase from Caenorhabditis elegans: A cytosolic enzyme with a di-nuclear active site.
FEBS Open Bio, 5, 2015
4UFB
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BU of 4ufb by Molmil
Crystal structure of the Angiotensin-1 converting enzyme N-domain in complex with Lys-Pro
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ANGIOTENSIN-CONVERTING ENZYME, CHLORIDE ION, ...
Authors:Masuyer, G, Douglas, R.G, Sturrock, E.D, Acharya, K.R.
Deposit date:2015-03-16
Release date:2015-10-07
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural Basis of Ac-Sdkp Hydrolysis by Angiotensin-I Converting Enzyme
Sci.Rep., 5, 2015
4UFA
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BU of 4ufa by Molmil
Crystal structure of the Angiotensin-1 converting enzyme N-domain in complex with Ac-SD
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ANGIOTENSIN-CONVERTING ENZYME, ...
Authors:Masuyer, G, Douglas, R.G, Sturrock, E.D, Acharya, K.R.
Deposit date:2015-03-16
Release date:2015-10-07
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural Basis of Ac-Sdkp Hydrolysis by Angiotensin-I Converting Enzyme
Sci.Rep., 5, 2015
4UW4
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BU of 4uw4 by Molmil
Human galectin-7 in complex with a galactose based dendron D2-1.
Descriptor: DENDRON D2-1, GALECTIN-7
Authors:Ramaswamy, S, Sleiman, M.H, Masuyer, G, Arbez-Gindre, C, Micha-Screttas, M, Calogeropoulou, T, Steele, B.R, Acharya, K.R.
Deposit date:2014-08-08
Release date:2014-11-12
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.766 Å)
Cite:Structural Basis of Multivalent Galactose-Based Dendrimer Recognition by Human Galectin-7.
FEBS J., 282, 2015
2ANG
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BU of 2ang by Molmil
CRYSTAL STRUCTURE OF HUMAN ANGIOGENIN OF THE MET(-1) FORM
Descriptor: ANGIOGENIN, CITRIC ACID
Authors:Leonidas, D.D, Allen, S.C, Acharya, K.R.
Deposit date:1998-11-12
Release date:1999-04-02
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:Refined crystal structures of native human angiogenin and two active site variants: implications for the unique functional properties of an enzyme involved in neovascularisation during tumour growth.
J.Mol.Biol., 285, 1999
4UW6
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BU of 4uw6 by Molmil
Human galectin-7 in complex with a galactose based dendron D3
Descriptor: DENDRON-D3, GALECTIN-7
Authors:Ramaswamy, S, Sleiman, M.H, Masuyer, G, Arbez-Gindre, C, Micha-Screttas, M, Calogeropoulou, T, Steele, B.R, Acharya, K.R.
Deposit date:2014-08-08
Release date:2014-11-12
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Structural Basis of Multivalent Galactose-Based Dendrimer Recognition by Human Galectin-7.
FEBS J., 282, 2015
4UX7
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BU of 4ux7 by Molmil
Structure of a Clostridium difficile sortase
Descriptor: DI(HYDROXYETHYL)ETHER, PENTAETHYLENE GLYCOL, PUTATIVE PEPTIDASE C60B, ...
Authors:Chambers, C.J, Roberts, A.K, Shone, C.C, Acharya, K.R.
Deposit date:2014-08-19
Release date:2015-04-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Structure and Function of a Clostridium Difficile Sortase Enzyme.
Sci.Rep., 5, 2015
4UW3
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BU of 4uw3 by Molmil
Human galectin-7 in complex with a galactose based dendron D1.
Descriptor: DENDRON-D1, HUMAN GALECTIN-7
Authors:Ramaswamy, S, Sleiman, M.H, Masuyer, G, Arbez-Gindre, C, Micha-Screttas, M, Calogeropoulou, T, Steele, B.R, Acharya, K.R.
Deposit date:2014-08-08
Release date:2014-11-12
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.479 Å)
Cite:Structural Basis of Multivalent Galactose-Based Dendrimer Recognition by Human Galectin-7.
FEBS J., 282, 2015
2OC2
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BU of 2oc2 by Molmil
Structure of testis ACE with RXPA380
Descriptor: Angiotensin-converting enzyme, somatic isoform, CHLORIDE ION, ...
Authors:Corradi, H.R, Anthony, C.S, Schwager, S.L, Redelinghuys, P, Georgiadis, D, Dive, V, Acharya, K.R, Sturrock, E.D.
Deposit date:2006-12-20
Release date:2007-05-22
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:The structure of testis angiotensin-converting enzyme in complex with the C domain-specific inhibitor RXPA380.
Biochemistry, 46, 2007
2PRI
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BU of 2pri by Molmil
BINDING OF 2-DEOXY-GLUCOSE-6-PHOSPHATE TO GLYCOGEN PHOSPHORYLASE B
Descriptor: 2-deoxy-6-O-phosphono-alpha-D-glucopyranose, GLYCOGEN PHOSPHORYLASE B, PYRIDOXAL-5'-PHOSPHATE
Authors:Oikonomakos, N.G, Zographos, S.E, Johnson, L.N, Papageorgiou, A.C, Acharya, K.R.
Deposit date:1998-12-11
Release date:1998-12-14
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The binding of 2-deoxy-D-glucose 6-phosphate to glycogen phosphorylase b: kinetic and crystallographic studies.
J.Mol.Biol., 254, 1995

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