5L44
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![BU of 5l44 by Molmil](/molmil-images/mine/5l44) | 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
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4UX7
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![BU of 4ux7 by Molmil](/molmil-images/mine/4ux7) | 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
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4UW5
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![BU of 4uw5 by Molmil](/molmil-images/mine/4uw5) | 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
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4UW3
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![BU of 4uw3 by Molmil](/molmil-images/mine/4uw3) | 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
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6EN6
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![BU of 6en6 by Molmil](/molmil-images/mine/6en6) | 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
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4UFA
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![BU of 4ufa by Molmil](/molmil-images/mine/4ufa) | 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
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4UFB
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![BU of 4ufb by Molmil](/molmil-images/mine/4ufb) | 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
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4UW6
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![BU of 4uw6 by Molmil](/molmil-images/mine/4uw6) | 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
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4UW4
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![BU of 4uw4 by Molmil](/molmil-images/mine/4uw4) | 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
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2Y6T
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![BU of 2y6t by Molmil](/molmil-images/mine/2y6t) | 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
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7Q28
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![BU of 7q28 by Molmil](/molmil-images/mine/7q28) | |
7Q24
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![BU of 7q24 by Molmil](/molmil-images/mine/7q24) | |
7Q25
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![BU of 7q25 by Molmil](/molmil-images/mine/7q25) | |
7Q26
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![BU of 7q26 by Molmil](/molmil-images/mine/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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![BU of 7q27 by Molmil](/molmil-images/mine/7q27) | |
7Q29
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![BU of 7q29 by Molmil](/molmil-images/mine/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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6HNK
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![BU of 6hnk by Molmil](/molmil-images/mine/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
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![BU of 6hni by Molmil](/molmil-images/mine/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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7QPU
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![BU of 7qpu by Molmil](/molmil-images/mine/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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7QPT
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![BU of 7qpt by Molmil](/molmil-images/mine/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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6HNJ
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![BU of 6hnj by Molmil](/molmil-images/mine/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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1F6R
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![BU of 1f6r by Molmil](/molmil-images/mine/1f6r) | |
1F6S
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![BU of 1f6s by Molmil](/molmil-images/mine/1f6s) | 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
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3SNF
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![BU of 3snf by Molmil](/molmil-images/mine/3snf) | 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
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3NXQ
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![BU of 3nxq by Molmil](/molmil-images/mine/3nxq) | Angiotensin Converting Enzyme N domain glycsoylation mutant (Ndom389) in complex with RXP407 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme, CHLORIDE ION, ... | Authors: | Anthony, C.S, Corradi, H.R, Schwager, S.L.U, Redelinghuys, P, Georgiadis, D, Dive, V, Acharya, K.R, Sturrock, E.D. | Deposit date: | 2010-07-14 | Release date: | 2010-09-08 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | The N domain of human angiotensin-I-converting enzyme: the role of N-glycosylation and the crystal structure in complex with an N domain-specific phosphinic inhibitor, RXP407. J.Biol.Chem., 285, 2010
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