9ECC
 
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9ECD
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9ECE
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9ECF
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9ECG
 | | PANK3 complex structure with compound PZ-5588 | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, MAGNESIUM ION, ... | | Authors: | Yun, M, Lee, R.E. | | Deposit date: | 2024-11-14 | | Release date: | 2025-11-19 | | Method: | X-RAY DIFFRACTION (2.092 Å) | | Cite: | Isoform Selectivity Driven Pantothenate Kinases Activation by Novel Sulfonamide Analogues of Pantazines
To Be Published
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9ECH
 | | PANK3 complex structure with compound PZ-5578 | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, MAGNESIUM ION, ... | | Authors: | Yun, M, Lee, R.E. | | Deposit date: | 2024-11-14 | | Release date: | 2025-11-19 | | Method: | X-RAY DIFFRACTION (2.043 Å) | | Cite: | Isoform Selectivity Driven Pantothenate Kinases Activation by Novel Sulfonamide Analogues of Pantazines
To Be Published
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9EDG
 | | Streptavidin-WT bound to Cu(II)dpea cofactor | | Descriptor: | ACETATE ION, COPPER (II) ION, N-(3-{bis[2-(pyridin-2-yl)ethyl]amino}propyl)-5-[(3aR,4R,6aS)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide, ... | | Authors: | Minnetian, N.M, Borovik, A.S, Follmer, A.H. | | Deposit date: | 2024-11-17 | | Release date: | 2025-11-19 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Tuning the active site geometry and spectroscopic properties of artificial blue copper proteins
To Be Published
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9EDH
 | | Streptavidin-S112C-T114F bound to Cu(II)dpea cofactor | | Descriptor: | COPPER (II) ION, N-(3-{bis[2-(pyridin-2-yl)ethyl]amino}propyl)-5-[(3aR,4R,6aS)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide, Streptavidin | | Authors: | Minnetian, N.M, Borovik, A.S, Follmer, A.H. | | Deposit date: | 2024-11-17 | | Release date: | 2025-11-19 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Tuning the active site geometry and spectroscopic properties of artificial blue copper proteins
To Be Published
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9EDI
 | | Streptavidin-S112C-L124A bound to Cu(II)dpea cofactor | | Descriptor: | COPPER (II) ION, N-(3-{bis[2-(pyridin-2-yl)ethyl]amino}propyl)-5-[(3aR,4R,6aS)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide, SULFATE ION, ... | | Authors: | Minnetian, N.M, Borovik, A.S, Follmer, A.H. | | Deposit date: | 2024-11-17 | | Release date: | 2025-11-19 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Tuning the active site geometry and spectroscopic properties of artificial blue copper proteins
To Be Published
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9EDK
 | | Streptavidin-S112C-T114V bound to Cu(II)dpea cofactor | | Descriptor: | COPPER (II) ION, N-(3-{bis[2-(pyridin-2-yl)ethyl]amino}propyl)-5-[(3aR,4R,6aS)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide, SULFATE ION, ... | | Authors: | Minnetian, N.M, Borovik, A.S, Follmer, A.H. | | Deposit date: | 2024-11-17 | | Release date: | 2025-11-19 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Tuning the active site geometry and spectroscopic properties of artificial blue copper proteins
To Be Published
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9EFJ
 | | Irreversible Mcl-1/HIT2 Complex | | Descriptor: | (1R)-N-{5-[(dihydroxy-lambda~4~-sulfanyl)oxy]pyridin-3-yl}-2,3-dihydro-1H-indene-1-carboxamide, Induced myeloid leukemia cell differentiation protein Mcl-1 | | Authors: | Muzzarelli, K.M, Assar, Z, Udompholkul, P, Pellecchia, M, Baggio, C, Prentiss, A.M. | | Deposit date: | 2024-11-20 | | Release date: | 2025-11-19 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | A Fragment-Based Electrophile-First Approach to Target Histidine with Aryl-Fluorosulfates: Application to hMcl-1
J.Med.Chem., 2025
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9GTO
 | | NCS-1 bound to a FDA ligand 1 | | Descriptor: | (5-methyl-2-oxidanylidene-1,3-dioxol-4-yl)methyl 2-ethoxy-3-[[4-[2-(5-oxidanylidene-4~{H}-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate, CALCIUM ION, DIMETHYL SULFOXIDE, ... | | Authors: | Munoz-Reyes, D, Miro-Rodriguez, C, Sanchez-Barrena, M.J. | | Deposit date: | 2024-09-18 | | Release date: | 2025-11-19 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | FDA Drug Repurposing Uncovers Modulators of Dopamine D 2 Receptor Localization via Disruption of the NCS-1 Interaction.
J.Med.Chem., 2025
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9GU6
 | | NCS-1 bound to FDA ligand 3 | | Descriptor: | 7-[2-(4-FLUORO-PHENYL)-5-ISOPROPYL-3-PHENYL-4-PHENYLCARBAMOYL-PYRROL-1-YL]- 3,5-DIHYDROXY-HEPTANOIC ACID, ACETIC ACID, CALCIUM ION, ... | | Authors: | Munoz-Reyes, D, Sanchez-Barrena, M.J. | | Deposit date: | 2024-09-19 | | Release date: | 2025-11-19 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | FDA Drug Repurposing Uncovers Modulators of Dopamine D 2 Receptor Localization via Disruption of the NCS-1 Interaction.
J.Med.Chem., 2025
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9GU8
 | | NCS-1 bound to a FDA ligand 4 | | Descriptor: | 5-{4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl}-1-benzofuran-2-carboxamide, CALCIUM ION, GLYCEROL, ... | | Authors: | Munoz-Reyes, D, Perez-Suarez, S, Sanchez-Barrena, M.J. | | Deposit date: | 2024-09-19 | | Release date: | 2025-11-19 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | FDA Drug Repurposing Uncovers Modulators of Dopamine D 2 Receptor Localization via Disruption of the NCS-1 Interaction.
J.Med.Chem., 2025
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9HAV
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9HAW
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9HAX
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9HAY
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9HB4
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9HBA
 | | Crystal structure of C35 bound to Hem | | Descriptor: | 4-[2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanoylamino]benzoic acid, ACETIC ACID, CARBON MONOXIDE, ... | | Authors: | Brear, P, Marchesani, F, De Bei, O, Spyrakis, F, Lazzarato, L, Ronda, L. | | Deposit date: | 2024-11-05 | | Release date: | 2025-11-19 | | Method: | X-RAY DIFFRACTION (1.51 Å) | | Cite: | Crystal structure of C35 bound to Hem
To Be Published
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9HBM
 | | Crystal structure of human NUDT14 in complex with a potent inhibitor (MA-955-10) | | Descriptor: | 1-(1-methylpiperidin-4-yl)-3-(4-propan-2-yloxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine, MAGNESIUM ION, Uridine diphosphate glucose pyrophosphatase NUDT14 | | Authors: | Balikci, E, Feyerherm, C, Apostolidou, M, Adcock, C, McGown, A, Spencer, J, Huber, K. | | Deposit date: | 2024-11-07 | | Release date: | 2025-11-19 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Crystal structure of human NUDT14 in complex with a potent inhibitor (MA-955-10)
To Be Published
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9HC6
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9HC7
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9HC8
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9HC9
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