6EN5
 
 | | Crystal structure A 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-(1-4)-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: | 2017-12-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.75 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
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1UZZ
 | | Erythrina cristagalli bound to N-linked oligosaccharide and lactose | | Descriptor: | CALCIUM ION, GLYCEROL, Lectin, ... | | Authors: | Turton, K, Natesh, R, Thiyagarajan, N, Chaddock, J.A, Acharya, K.R. | | Deposit date: | 2004-03-20 | | Release date: | 2004-06-22 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.13 Å) | | Cite: | Crystal structures of Erythrina cristagalli lectin with bound N-linked oligosaccharide and lactose.
Glycobiology, 14, 2004
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1UZY
 | | Erythrina crystagalli lectin | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, Lectin, ... | | Authors: | Turton, K, Natesh, R, Thiyagarajan, N, Chaddock, J.A, Acharya, K.R. | | Deposit date: | 2004-03-19 | | Release date: | 2004-06-22 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structures of Erythrina cristagalli lectin with bound N-linked oligosaccharide and lactose.
Glycobiology, 14, 2004
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6HNK
 | | The ligand-free, open structure of CD0873, a substrate binding protein with adhesive properties from Clostridium difficile. | | Descriptor: | ABC-type transport system, sugar-family extracellular solute-binding protein | | Authors: | Bradshaw, W.J, Kovacs-Simon, A, Harmer, N.J, Michell, S.L, Acharya, K.R. | | Deposit date: | 2018-09-15 | | Release date: | 2019-08-28 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Molecular features of lipoprotein CD0873: A potential vaccine against the human pathogenClostridioides difficile.
J.Biol.Chem., 294, 2019
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6HNI
 | | The ligand-bound, closed structure of CD0873, a substrate binding protein with adhesive properties from Clostridium difficile. | | Descriptor: | 1,2-ETHANEDIOL, ABC-type transport system, sugar-family extracellular solute-binding protein, ... | | Authors: | Bradshaw, W.J, Kovacs-Simon, A, Harmer, N.J, Michell, S.L, Acharya, K.R. | | Deposit date: | 2018-09-15 | | Release date: | 2019-08-28 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Molecular features of lipoprotein CD0873: A potential vaccine against the human pathogenClostridioides difficile.
J.Biol.Chem., 294, 2019
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6HNJ
 | | The ligand-bound, open structure of CD0873, a substrate binding protein with adhesive properties from Clostridium difficile. | | Descriptor: | 1,2-ETHANEDIOL, ABC-type transport system, sugar-family extracellular solute-binding protein, ... | | Authors: | Bradshaw, W.J, Kovacs-Simon, A, Harmer, N.J, Michell, S.L, Acharya, K.R. | | Deposit date: | 2018-09-15 | | Release date: | 2019-08-28 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Molecular features of lipoprotein CD0873: A potential vaccine against the human pathogenClostridioides difficile.
J.Biol.Chem., 294, 2019
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6TT4
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6TWO
 | | 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
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6TWP
 | | 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
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7Q28
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7Q26
 | | 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
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7Q27
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7Q24
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7Q25
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7Q29
 | | 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
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7QPT
 | | 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
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7QPU
 | | 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
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7Z5S
 | | 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
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7Z5T
 | | 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
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7Z6Z
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7Z70
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8AGK
 | | 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
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8ALP
 | | 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
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5NJL
 | | Cwp2 from Clostridium difficile | | Descriptor: | Cell surface protein (Putative S-layer protein), SULFATE ION | | Authors: | Bradshaw, W.J, Kirby, J.M, Roberts, A.K, Shone, C.C, Acharya, K.R. | | Deposit date: | 2017-03-29 | | Release date: | 2017-07-05 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Cwp2 from Clostridium difficile exhibits an extended three domain fold and cell adhesion in vitro.
FEBS J., 284, 2017
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5OQ3
 | | High resolution structure of the functional region of Cwp19 from Clostridium difficile | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Cwp19, ... | | Authors: | Bradshaw, W.J, Kirby, J.M, Roberts, A.K, Shone, C.C, Acharya, K.R. | | Deposit date: | 2017-08-10 | | Release date: | 2017-11-01 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | The molecular structure of the glycoside hydrolase domain of Cwp19 from Clostridium difficile.
FEBS J., 284, 2017
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