9H1D
 
 | | Crystal structure of Angiotensin-1 converting enzyme C-domain in complex with dual ACE/NEP inhibitor AD015 | | Descriptor: | (2~{S},5~{R})-5-(4-methylphenyl)-1-[2-[[(2~{S})-3-phenyl-2-sulfanyl-propanoyl]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: | 2024-10-09 | | Release date: | 2025-04-16 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Design of Novel Mercapto-3-phenylpropanoyl Dipeptides as Dual Angiotensin-Converting Enzyme C-Domain-Selective/Neprilysin Inhibitors.
J.Med.Chem., 68, 2025
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9H1A
 | | Crystal structure of Angiotensin-1 converting enzyme N-domain in complex with dual ACE/NEP inhibitor AD014 | | Descriptor: | (2~{S},5~{R})-5-(3-hydroxyphenyl)-1-[2-[[(2~{S})-3-(4-hydroxyphenyl)-2-sulfanyl-propanoyl]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: | 2024-10-09 | | Release date: | 2025-04-16 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Design of Novel Mercapto-3-phenylpropanoyl Dipeptides as Dual Angiotensin-Converting Enzyme C-Domain-Selective/Neprilysin Inhibitors.
J.Med.Chem., 68, 2025
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9H1C
 | | Crystal structure of Angiotensin-1 converting enzyme C-domain in complex with dual ACE/NEP inhibitor AD014 | | Descriptor: | (2~{S},5~{R})-5-(3-hydroxyphenyl)-1-[2-[[(2~{S})-3-(4-hydroxyphenyl)-2-sulfanyl-propanoyl]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: | 2024-10-09 | | Release date: | 2025-04-16 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Design of Novel Mercapto-3-phenylpropanoyl Dipeptides as Dual Angiotensin-Converting Enzyme C-Domain-Selective/Neprilysin Inhibitors.
J.Med.Chem., 68, 2025
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9H1B
 | | Crystal structure of Angiotensin-1 converting enzyme N-domain in complex with dual ACE/NEP inhibitor AD015 | | Descriptor: | (2~{S},5~{R})-5-(4-methylphenyl)-1-[2-[[(2~{S})-3-phenyl-2-sulfanyl-propanoyl]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: | 2024-10-09 | | Release date: | 2025-04-16 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Design of Novel Mercapto-3-phenylpropanoyl Dipeptides as Dual Angiotensin-Converting Enzyme C-Domain-Selective/Neprilysin Inhibitors.
J.Med.Chem., 68, 2025
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9H1E
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9I2S
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9GU3
 | | Human adult muscle nAChR in desensitised state in nanodisc with 1 mM acetylcholine | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-3)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Li, A, Pike, A.C.W, Chi, G, Webster, R, Maxwell, S, Liu, W, Beeson, D, Sauer, D.B, Dong, Y.Y. | | Deposit date: | 2024-09-18 | | Release date: | 2025-05-14 | | Method: | ELECTRON MICROSCOPY (2.64 Å) | | Cite: | Structures of the human adult muscle-type nicotinic receptor in resting and desensitized states.
Cell Rep, 44, 2025
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9GU1
 | | Human adult muscle nAChR in resting state in nanodisc with alpha-bungarotoxin | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholine receptor subunit alpha, ... | | Authors: | Li, A, Pike, A.C.W, Chi, G, Webster, R, Maxwell, S, Liu, W, Beeson, D, Sauer, D.B, Dong, Y.Y. | | Deposit date: | 2024-09-18 | | Release date: | 2025-05-14 | | Method: | ELECTRON MICROSCOPY (2.48 Å) | | Cite: | Structures of the human adult muscle-type nicotinic receptor in resting and desensitized states.
Cell Rep, 44, 2025
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9GU2
 | | Human adult muscle nAChR in desensitised state in nanodisc with 100 uM acetylcholine | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-3)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Li, A, Pike, A.C.W, Chi, G, Webster, R, Maxwell, S, Liu, W, Beeson, D, Sauer, D.B, Dong, Y.Y. | | Deposit date: | 2024-09-18 | | Release date: | 2025-05-14 | | Method: | ELECTRON MICROSCOPY (2.73 Å) | | Cite: | Structures of the human adult muscle-type nicotinic receptor in resting and desensitized states.
Cell Rep, 44, 2025
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9HZ0
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9GFY
 | | Endothiapepsin in complex with pepstatin soaked at pH 7.6 | | Descriptor: | DIMETHYL SULFOXIDE, Endothiapepsin, PENTAETHYLENE GLYCOL, ... | | Authors: | Mueller, J.M, Glinca, S. | | Deposit date: | 2024-08-12 | | Release date: | 2025-06-11 | | Method: | X-RAY DIFFRACTION (1.23 Å) | | Cite: | Protonation Effects in Protein-Ligand Complexes - A Case Study of Endothiapepsin and Pepstatin A with Computational and Experimental Methods.
Chemmedchem, 20, 2025
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9GCA
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9GC8
 | | Crystal structure of Pseudomonas aeruginosa IspD in complex with C11H12N2O3 | | Descriptor: | 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase, methyl 2-[(5~{R})-6-methyl-7-oxidanylidene-5~{H}-pyrrolo[3,4-b]pyridin-5-yl]ethanoate | | Authors: | Borel, F, D'Auria, L. | | Deposit date: | 2024-08-01 | | Release date: | 2025-06-11 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Fragment Discovery by X-Ray Crystallographic Screening Targeting the CTP Binding Site of Pseudomonas Aeruginosa IspD.
Angew.Chem.Int.Ed.Engl., 64, 2025
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9H0N
 | | Fucosylated Lacto-N-biose binding protein from Bifidobacterium longum subsp. infantis in complex with Galacto-N-biose | | Descriptor: | Extracellular solute-binding protein, family 1, SODIUM ION, ... | | Authors: | Jensen, M, Hansen, M.E, Sakanaka, H, Slotboom, D.J, Abou Hachem, M, Morth, J.P. | | Deposit date: | 2024-10-08 | | Release date: | 2025-07-02 | | Last modified: | 2025-07-23 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Uptake of fucosylated type I human milk oligosaccharide blocks by Bifidobacterium longum subsp. infantis.
Mbio, 2025
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9JIP
 | | CYP105A1 R84A complexed with flufenamic acid (FLF) | | Descriptor: | 1,2-ETHANEDIOL, 2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Mikami, B, Takita, T, Sakaki, T, Yasuda, K, Wada, M, Yasukawa, K. | | Deposit date: | 2024-09-12 | | Release date: | 2025-04-23 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Structure-Function Analysis of Streptomyces griseolus CYP105A1 in the Metabolism of Nonsteroidal Anti-inflammatory Drugs.
Biochemistry, 64, 2025
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9JHW
 | | CYP105A1 complexed with diclofenac (DIF) | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Mikami, B, Takita, T, Sakaki, T, Yasuda, K, Wada, M, Yasukawa, K. | | Deposit date: | 2024-09-10 | | Release date: | 2025-04-23 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Structure-Function Analysis of Streptomyces griseolus CYP105A1 in the Metabolism of Nonsteroidal Anti-inflammatory Drugs.
Biochemistry, 64, 2025
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9JI1
 | | CYP105A1 complexed with flufenamic acid (FLF) | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID, ... | | Authors: | Mikami, B, Takita, T, Sakaki, T, Yasuda, K, Wada, M, Yasukawa, K. | | Deposit date: | 2024-09-11 | | Release date: | 2025-04-23 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | Structure-Function Analysis of Streptomyces griseolus CYP105A1 in the Metabolism of Nonsteroidal Anti-inflammatory Drugs.
Biochemistry, 64, 2025
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9H6E
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9H3I
 | | trans-aconitate decarboxylase Tad1- wild type | | Descriptor: | Trans-aconitate decarboxylase 1 | | Authors: | Zheng, L, Bang, G. | | Deposit date: | 2024-10-16 | | Release date: | 2025-03-19 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | Mechanistic and structural insights into the itaconate-producing trans -aconitate decarboxylase Tad1.
Pnas Nexus, 4, 2025
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9H4G
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9H4H
 | | trans-aconitate decarboxylase Tad1_S320A | | Descriptor: | Trans-aconitate decarboxylase 1 | | Authors: | Zheng, L, Bange, G. | | Deposit date: | 2024-10-18 | | Release date: | 2025-03-19 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Mechanistic and structural insights into the itaconate-producing trans -aconitate decarboxylase Tad1.
Pnas Nexus, 4, 2025
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9H4E
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9G59
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9GP2
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9H0O
 | | Fucosylated Lacto-N-biose binding protein from Bifidobacterium longum subsp. infantis in complex with Lacto-N-biose | | Descriptor: | CALCIUM ION, Extracellular solute-binding protein, family 1, ... | | Authors: | Jensen, M, Hansen, M.E, Sakanaka, H, Slotboom, D.J, Abou Hachem, M, Morth, J.P. | | Deposit date: | 2024-10-08 | | Release date: | 2025-07-02 | | Last modified: | 2025-07-23 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Uptake of fucosylated type I human milk oligosaccharide blocks by Bifidobacterium longum subsp. infantis.
Mbio, 2025
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