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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
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
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
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
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
4UW5
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BU of 4uw5 by Molmil
Human galectin-7 in complex with a galactose based dendron D2-2.
Descriptor: DENDRON D2-1, 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 (2.04 Å)
Cite:Structural Basis of Multivalent Galactose-Based Dendrimer Recognition by Human Galectin-7.
FEBS J., 282, 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
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
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
1F6R
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BU of 1f6r by Molmil
CRYSTAL STRUCTURE OF APO-BOVINE ALPHA-LACTALBUMIN
Descriptor: ALPHA-LACTALBUMIN
Authors:Chrysina, E.D, Brew, K, Acharya, K.R.
Deposit date:2000-06-23
Release date:2000-12-13
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structures of apo- and holo-bovine alpha-lactalbumin at 2. 2-A resolution reveal an effect of calcium on inter-lobe interactions.
J.Biol.Chem., 275, 2000
1F6S
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BU of 1f6s by Molmil
CRYSTAL STRUCTURE OF BOVINE ALPHA-LACTALBUMIN
Descriptor: ALPHA-LACTALBUMIN, CALCIUM ION
Authors:Chrysina, E.D, Brew, K, Acharya, K.R.
Deposit date:2000-06-23
Release date:2000-12-13
Last modified:2019-12-18
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structures of apo- and holo-bovine alpha-lactalbumin at 2. 2-A resolution reveal an effect of calcium on inter-lobe interactions.
J.Biol.Chem., 275, 2000
5GAL
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BU of 5gal by Molmil
CRYSTAL STRUCTURE OF HUMAN GALECTIN-7 IN COMPLEX WITH N-ACETYLLACTOSAMINE
Descriptor: GALECTIN-7, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Leonidas, D.D, Acharya, K.R.
Deposit date:1998-07-14
Release date:1998-11-04
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis for the recognition of carbohydrates by human galectin-7.
Biochemistry, 37, 1998
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
3ZQZ
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BU of 3zqz by Molmil
CRYSTAL STRUCTURE OF ANCE IN COMPLEX WITH A SELENIUM ANALOGUE OF CAPTOPRIL
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ANGIOTENSIN-CONVERTING ENZYME, SELENO-CAPTOPRIL, ...
Authors:Akif, M, Masuyer, G, Schwager, S.L.U, Bhuyan, B.J, Mugesh, G, Isaac, R.E, Sturrock, E.D, Acharya, K.R.
Deposit date:2011-06-13
Release date:2011-09-14
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structural Characterization of Angiotensin I- Converting Enzyme in Complex with a Selenium Analogue of Captopril.
FEBS J., 278, 2011
1UNS
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BU of 1uns by Molmil
IDENTIFICATION OF A SECONDARY ZINC-BINDING SITE IN STAPHYLOCOCCAL ENTEROTOXIN C2: IMPLICATIONS FOR SUPERANTIGEN RECOGNITION
Descriptor: ENTEROTOXIN TYPE C-2, ZINC ION
Authors:Papageorgiou, A.C, Baker, M.D, McLeod, J.D, Goda, S, Sansom, D.M, Tranter, H.S, Acharya, K.R.
Deposit date:2003-09-15
Release date:2003-11-13
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Identification of a Secondary Zinc-Binding Site in Staphylococcal Enterotoxin C2: Implications for Superantigen Recognition
J.Biol.Chem., 279, 2004
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
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
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
8AGK
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BU of 8agk by Molmil
Botulinum neurotoxin subtype A6 cell binding domain in complex with GD1a ganglioside
Descriptor: 1,2-ETHANEDIOL, Bont/A1, DI(HYDROXYETHYL)ETHER, ...
Authors:Gregory, K.S, Acharya, K.R, Liu, S.M, Newell, A.R, Mojanaga, O.O.
Deposit date:2022-07-20
Release date:2022-09-21
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal Structures of the Clostridium botulinum Neurotoxin A6 Cell Binding Domain Alone and in Complex with GD1a Reveal Significant Conformational Flexibility.
Int J Mol Sci, 23, 2022
8ALP
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BU of 8alp by Molmil
Botulinum neurotoxin A6 cell binding domain crystal form II
Descriptor: 1,2-ETHANEDIOL, Bont/A1, DI(HYDROXYETHYL)ETHER
Authors:Gregory, K.S, Acharya, K.R, Liu, S.M.
Deposit date:2022-08-01
Release date:2022-09-21
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal Structures of the Clostridium botulinum Neurotoxin A6 Cell Binding Domain Alone and in Complex with GD1a Reveal Significant Conformational Flexibility.
Int J Mol Sci, 23, 2022
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

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