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PDB: 318 件

5L44
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Structure of K-26-DCP in complex with the K-26 tripeptide
分子名称: K-26 dipeptidyl carboxypeptidase, MAGNESIUM ION, N-ACETYL-L-ILE-L-TYR-(R)-1-AMINO-2-(4-HYDROXYPHENYL)ETHYLPHOSPHONIC ACID, ...
著者Masuyer, G, Acharya, K.R, Kramer, G.J, Bachmann, B.O.
登録日2016-05-24
公開日2016-10-26
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Crystal structure of a peptidyl-dipeptidase K-26-DCP from Actinomycete in complex with its natural inhibitor.
FEBS J., 283, 2016
4UX7
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Structure of a Clostridium difficile sortase
分子名称: DI(HYDROXYETHYL)ETHER, PENTAETHYLENE GLYCOL, PUTATIVE PEPTIDASE C60B, ...
著者Chambers, C.J, Roberts, A.K, Shone, C.C, Acharya, K.R.
登録日2014-08-19
公開日2015-04-01
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Structure and Function of a Clostridium Difficile Sortase Enzyme.
Sci.Rep., 5, 2015
4UW5
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Human galectin-7 in complex with a galactose based dendron D2-2.
分子名称: DENDRON D2-1, HUMAN GALECTIN-7
著者Ramaswamy, S, Sleiman, M.H, Masuyer, G, Arbez-Gindre, C, Micha-Screttas, M, Calogeropoulou, T, Steele, B.R, Acharya, K.R.
登録日2014-08-08
公開日2014-11-12
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Structural Basis of Multivalent Galactose-Based Dendrimer Recognition by Human Galectin-7.
FEBS J., 282, 2015
4UW3
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Human galectin-7 in complex with a galactose based dendron D1.
分子名称: DENDRON-D1, HUMAN GALECTIN-7
著者Ramaswamy, S, Sleiman, M.H, Masuyer, G, Arbez-Gindre, C, Micha-Screttas, M, Calogeropoulou, T, Steele, B.R, Acharya, K.R.
登録日2014-08-08
公開日2014-11-12
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.479 Å)
主引用文献Structural Basis of Multivalent Galactose-Based Dendrimer Recognition by Human Galectin-7.
FEBS J., 282, 2015
6EN6
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Crystal structure B of the Angiotensin-1 converting enzyme N-domain in complex with a diprolyl inhibitor.
分子名称: (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, ...
著者Cozier, G.E, Acharya, K.R, Fienberg, S, Chibale, K, Sturrock, E.D.
登録日2017-10-04
公開日2018-03-07
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献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
4UFA
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Crystal structure of the Angiotensin-1 converting enzyme N-domain in complex with Ac-SD
分子名称: 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, ...
著者Masuyer, G, Douglas, R.G, Sturrock, E.D, Acharya, K.R.
登録日2015-03-16
公開日2015-10-07
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural Basis of Ac-Sdkp Hydrolysis by Angiotensin-I Converting Enzyme
Sci.Rep., 5, 2015
4UFB
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Crystal structure of the Angiotensin-1 converting enzyme N-domain in complex with Lys-Pro
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ANGIOTENSIN-CONVERTING ENZYME, CHLORIDE ION, ...
著者Masuyer, G, Douglas, R.G, Sturrock, E.D, Acharya, K.R.
登録日2015-03-16
公開日2015-10-07
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural Basis of Ac-Sdkp Hydrolysis by Angiotensin-I Converting Enzyme
Sci.Rep., 5, 2015
4UW6
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Human galectin-7 in complex with a galactose based dendron D3
分子名称: DENDRON-D3, GALECTIN-7
著者Ramaswamy, S, Sleiman, M.H, Masuyer, G, Arbez-Gindre, C, Micha-Screttas, M, Calogeropoulou, T, Steele, B.R, Acharya, K.R.
登録日2014-08-08
公開日2014-11-12
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Structural Basis of Multivalent Galactose-Based Dendrimer Recognition by Human Galectin-7.
FEBS J., 282, 2015
4UW4
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Human galectin-7 in complex with a galactose based dendron D2-1.
分子名称: DENDRON D2-1, GALECTIN-7
著者Ramaswamy, S, Sleiman, M.H, Masuyer, G, Arbez-Gindre, C, Micha-Screttas, M, Calogeropoulou, T, Steele, B.R, Acharya, K.R.
登録日2014-08-08
公開日2014-11-12
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.766 Å)
主引用文献Structural Basis of Multivalent Galactose-Based Dendrimer Recognition by Human Galectin-7.
FEBS J., 282, 2015
2Y6T
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BU of 2y6t by Molmil
Molecular Recognition of Chymotrypsin by the Serine Protease Inhibitor Ecotin from Yersinia pestis
分子名称: CHYMOTRYPSINOGEN A, ECOTIN, SULFATE ION
著者Clark, E.A, Walker, N, Ford, D.C, Cooper, I.A, Oyston, P.C.F, Acharya, K.R.
登録日2011-01-26
公開日2011-04-20
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.74 Å)
主引用文献Molecular Recognition of Chymotrypsin by the Serine Protease Inhibitor Ecotin from Yersinia Pestis.
J.Biol.Chem., 286, 2011
7Q28
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Crystal structure of Angiotensin-1 converting enzyme C-domain in complex with dual ACE/NEP inhibitor AD012
分子名称: (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, ...
著者Cozier, G.E, Acharya, K.R.
登録日2021-10-23
公開日2022-02-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Probing the Requirements for Dual Angiotensin-Converting Enzyme C-Domain Selective/Neprilysin Inhibition.
J.Med.Chem., 65, 2022
7Q24
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Crystal structure of Angiotensin-1 converting enzyme N-domain in complex with dual ACE/NEP inhibitor AD011
分子名称: (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, ...
著者Cozier, G.E, Acharya, K.R.
登録日2021-10-23
公開日2022-02-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献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
分子名称: (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, ...
著者Cozier, G.E, Acharya, K.R.
登録日2021-10-23
公開日2022-02-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献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
分子名称: (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, ...
著者Cozier, G.E, Acharya, K.R.
登録日2021-10-23
公開日2022-02-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Probing the Requirements for Dual Angiotensin-Converting Enzyme C-Domain Selective/Neprilysin Inhibition.
J.Med.Chem., 65, 2022
7Q27
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Crystal structure of Angiotensin-1 converting enzyme C-domain in complex with dual ACE/NEP inhibitor AD011
分子名称: (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, ...
著者Cozier, G.E, Acharya, K.R.
登録日2021-10-23
公開日2022-02-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Probing the Requirements for Dual Angiotensin-Converting Enzyme C-Domain Selective/Neprilysin Inhibition.
J.Med.Chem., 65, 2022
7Q29
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Crystal structure of Angiotensin-1 converting enzyme C-domain in complex with dual ACE/NEP inhibitor AD013
分子名称: (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, ...
著者Cozier, G.E, Acharya, K.R.
登録日2021-10-23
公開日2022-02-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Probing the Requirements for Dual Angiotensin-Converting Enzyme C-Domain Selective/Neprilysin Inhibition.
J.Med.Chem., 65, 2022
6HNK
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The ligand-free, open structure of CD0873, a substrate binding protein with adhesive properties from Clostridium difficile.
分子名称: ABC-type transport system, sugar-family extracellular solute-binding protein
著者Bradshaw, W.J, Kovacs-Simon, A, Harmer, N.J, Michell, S.L, Acharya, K.R.
登録日2018-09-15
公開日2019-08-28
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Molecular features of lipoprotein CD0873: A potential vaccine against the human pathogenClostridioides difficile.
J.Biol.Chem., 294, 2019
6HNI
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The ligand-bound, closed structure of CD0873, a substrate binding protein with adhesive properties from Clostridium difficile.
分子名称: 1,2-ETHANEDIOL, ABC-type transport system, sugar-family extracellular solute-binding protein, ...
著者Bradshaw, W.J, Kovacs-Simon, A, Harmer, N.J, Michell, S.L, Acharya, K.R.
登録日2018-09-15
公開日2019-08-28
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Molecular features of lipoprotein CD0873: A potential vaccine against the human pathogenClostridioides difficile.
J.Biol.Chem., 294, 2019
7QPU
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Botulinum neurotoxin A5 cell binding domain in complex with GM1b oligosaccharide
分子名称: Botulinum neurotoxin sub-type A5, DI(HYDROXYETHYL)ETHER, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose, ...
著者Gregory, K.S, Acharya, K.R, Liu, S.M.
登録日2022-01-05
公開日2022-03-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献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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Botulinum neurotoxin A4 cell binding domain in complex with GD1a oligosaccharide
分子名称: 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
著者Gregory, K.S, Acharya, K.R, Liu, S.M, Mojanaga, O.O.
登録日2022-01-05
公開日2022-03-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal Structures of Botulinum Neurotoxin Subtypes A4 and A5 Cell Binding Domains in Complex with Receptor Ganglioside.
Toxins, 14, 2022
6HNJ
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BU of 6hnj by Molmil
The ligand-bound, open structure of CD0873, a substrate binding protein with adhesive properties from Clostridium difficile.
分子名称: 1,2-ETHANEDIOL, ABC-type transport system, sugar-family extracellular solute-binding protein, ...
著者Bradshaw, W.J, Kovacs-Simon, A, Harmer, N.J, Michell, S.L, Acharya, K.R.
登録日2018-09-15
公開日2019-08-28
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Molecular features of lipoprotein CD0873: A potential vaccine against the human pathogenClostridioides difficile.
J.Biol.Chem., 294, 2019
1F6R
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CRYSTAL STRUCTURE OF APO-BOVINE ALPHA-LACTALBUMIN
分子名称: ALPHA-LACTALBUMIN
著者Chrysina, E.D, Brew, K, Acharya, K.R.
登録日2000-06-23
公開日2000-12-13
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献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
分子名称: ALPHA-LACTALBUMIN, CALCIUM ION
著者Chrysina, E.D, Brew, K, Acharya, K.R.
登録日2000-06-23
公開日2000-12-13
最終更新日2019-12-18
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献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
3SNF
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BU of 3snf by Molmil
Onconase, atomic resolution crystal structure
分子名称: ACETATE ION, Protein P-30, SULFATE ION
著者Holloway, D.E, Singh, U.P, Shogen, K, Acharya, K.R.
登録日2011-06-29
公開日2011-10-05
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Crystal structure of Onconase at 1.1 angstrom resolution--insights into substrate binding and collective motion.
Febs J., 278, 2011
3NXQ
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Angiotensin Converting Enzyme N domain glycsoylation mutant (Ndom389) in complex with RXP407
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme, CHLORIDE ION, ...
著者Anthony, C.S, Corradi, H.R, Schwager, S.L.U, Redelinghuys, P, Georgiadis, D, Dive, V, Acharya, K.R, Sturrock, E.D.
登録日2010-07-14
公開日2010-09-08
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献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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