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PDB: 318 results

6TT3
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BU of 6tt3 by Molmil
Crystal structure of 'Res_S2 mutant human Angiotensin-1 converting enzyme N-domain in complex with SG6.
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.
Deposit date:2019-12-23
Release date:2020-04-01
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:ACE-domain selectivity extends beyond direct interacting residues at the active site.
Biochem.J., 477, 2020
6TT1
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BU of 6tt1 by Molmil
Crystal structure of 'Res_S2 mutant human Angiotensin-1 converting enzyme N-domain in complex with 33RE.
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Cozier, G.E, Acharya, K.R.
Deposit date:2019-12-23
Release date:2020-04-01
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:ACE-domain selectivity extends beyond direct interacting residues at the active site.
Biochem.J., 477, 2020
6TT4
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BU of 6tt4 by Molmil
Crystal structure of 'Res_S2 mutant human Angiotensin-1 converting enzyme N-domain in complex with omapatrilat.
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Cozier, G.E, Acharya, K.R.
Deposit date:2019-12-23
Release date:2020-04-01
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:ACE-domain selectivity extends beyond direct interacting residues at the active site.
Biochem.J., 477, 2020
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
6TWO
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BU of 6two by Molmil
Binding domain of BoNT/A6
Descriptor: Bont/A1, CHLORIDE ION
Authors:Davies, J.R, Britton, A, Acharya, K.R.
Deposit date:2020-01-13
Release date:2020-07-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:High-resolution crystal structures of the botulinum neurotoxin binding domains from subtypes A5 and A6.
Febs Open Bio, 10, 2020
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
6TWP
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BU of 6twp by Molmil
Binding domain of BoNT/A5
Descriptor: Botulinum neurotoxin A5, CHLORIDE ION
Authors:Davies, J.R, Acharya, K.R.
Deposit date:2020-01-13
Release date:2020-07-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:High-resolution crystal structures of the botulinum neurotoxin binding domains from subtypes A5 and A6.
Febs Open Bio, 10, 2020
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
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
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
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
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
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
7QPU
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BU of 7qpu by Molmil
Botulinum neurotoxin A5 cell binding domain in complex with GM1b oligosaccharide
Descriptor: Botulinum neurotoxin sub-type A5, DI(HYDROXYETHYL)ETHER, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose, ...
Authors:Gregory, K.S, Acharya, K.R, Liu, S.M.
Deposit date:2022-01-05
Release date:2022-03-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal Structures of Botulinum Neurotoxin Subtypes A4 and A5 Cell Binding Domains in Complex with Receptor Ganglioside.
Toxins, 14, 2022
7QPT
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BU of 7qpt by Molmil
Botulinum neurotoxin A4 cell binding domain in complex with GD1a oligosaccharide
Descriptor: N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose-(1-4)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose, Neurotoxin type A
Authors:Gregory, K.S, Acharya, K.R, Liu, S.M, Mojanaga, O.O.
Deposit date:2022-01-05
Release date:2022-03-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structures of Botulinum Neurotoxin Subtypes A4 and A5 Cell Binding Domains in Complex with Receptor Ganglioside.
Toxins, 14, 2022
2Y6T
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BU of 2y6t by Molmil
Molecular Recognition of Chymotrypsin by the Serine Protease Inhibitor Ecotin from Yersinia pestis
Descriptor: CHYMOTRYPSINOGEN A, ECOTIN, SULFATE ION
Authors:Clark, E.A, Walker, N, Ford, D.C, Cooper, I.A, Oyston, P.C.F, Acharya, K.R.
Deposit date:2011-01-26
Release date:2011-04-20
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.74 Å)
Cite:Molecular Recognition of Chymotrypsin by the Serine Protease Inhibitor Ecotin from Yersinia Pestis.
J.Biol.Chem., 286, 2011
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
2YDM
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BU of 2ydm by Molmil
Structural characterization of angiotensin-I converting enzyme in complex with a selenium analogue of captopril
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ANGIOTENSIN CONVERTING ENZYME, CHLORIDE ION, ...
Authors:Akif, M, Masuyer, G, Schwager, S.L.U, Bhuyan, B.J, Mugesh, G, Sturrock, E.D, Acharya, K.R.
Deposit date:2011-03-22
Release date:2011-09-14
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Structural Characterization of Angiotensin-I Converting Enzyme in Complex with a Selenium Analogue of Captopril
FEBS J., 278, 2011
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
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
3SNF
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BU of 3snf by Molmil
Onconase, atomic resolution crystal structure
Descriptor: ACETATE ION, Protein P-30, SULFATE ION
Authors:Holloway, D.E, Singh, U.P, Shogen, K, Acharya, K.R.
Deposit date:2011-06-29
Release date:2011-10-05
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Crystal structure of Onconase at 1.1 angstrom resolution--insights into substrate binding and collective motion.
Febs J., 278, 2011
7Z5S
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BU of 7z5s by Molmil
Crystal Structure of botulinum neurotoxin A2 cell binding domain in complex with GD1a
Descriptor: 1,2-ETHANEDIOL, Botulinum neurotoxin, HEXAETHYLENE GLYCOL, ...
Authors:Gregory, K.S, Acharya, K.R, Liu, S.M, Mahadeva, T.B.
Deposit date:2022-03-10
Release date:2022-06-08
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural Features of Clostridium botulinum Neurotoxin Subtype A2 Cell Binding Domain.
Toxins, 14, 2022
7Z5T
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BU of 7z5t by Molmil
Crystal Structure of botulinum neurotoxin A2 cell binding domain
Descriptor: ACETATE ION, Botulinum neurotoxin, PENTAETHYLENE GLYCOL
Authors:Gregory, K.S, Acharya, K.R, Liu, S.M, Mahadeva, T.B.
Deposit date:2022-03-10
Release date:2022-06-08
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Structural Features of Clostridium botulinum Neurotoxin Subtype A2 Cell Binding Domain.
Toxins, 14, 2022
7Z6Z
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BU of 7z6z by Molmil
Crystal structure of Angiotensin-1 converting enzyme N-domain in complex with fosinoprilat
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Cozier, G.E, Acharya, K.R.
Deposit date:2022-03-14
Release date:2022-06-22
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural basis for the inhibition of human angiotensin-1 converting enzyme by fosinoprilat.
Febs J., 289, 2022
7Z70
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BU of 7z70 by Molmil
Crystal structure of Angiotensin-1 converting enzyme C-domain in complex with fosinoprilat
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ...
Authors:Cozier, G.E, Acharya, K.R.
Deposit date:2022-03-14
Release date:2022-06-22
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural basis for the inhibition of human angiotensin-1 converting enzyme by fosinoprilat.
Febs J., 289, 2022

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