6SQN
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6SQT
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6SQQ
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8PF3
| Crystal structure of Trypanosoma brucei trypanothione reductase in complex with 1-(3,4-dichlorobenzyl)-4-(((5-((4-fluorophenethyl)carbamoyl)furan-2-yl)methyl)(4-fluorophenyl)carbamoyl)-1-(3-phenylpropyl)piperazin-1-ium | Descriptor: | 4-[(3,4-dichlorophenyl)methyl]-~{N}-(4-fluorophenyl)-~{N}-[[5-[2-(4-fluorophenyl)ethylcarbamoyl]furan-2-yl]methyl]-4-(3-phenylpropyl)-1,4$l^{4}-diazinane-1-carboxamide, DI(HYDROXYETHYL)ETHER, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Exertier, C, Ilari, A, Fiorillo, A, Antonelli, L. | Deposit date: | 2023-06-15 | Release date: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Fragment Merging, Growing, and Linking Identify New Trypanothione Reductase Inhibitors for Leishmaniasis. J.Med.Chem., 67, 2024
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8PF4
| Crystal structure of Trypanosoma brucei trypanothione reductase in complex with 4-(((5-((4-fluorophenethyl)carbamoyl)furan-2-yl)methyl)(4-fluorophenyl)carbamoyl)-1-methyl-1-(3-phenylpropyl)piperazin-1-ium | Descriptor: | DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Exertier, C, Ilari, A, Fiorillo, A, Antonelli, L. | Deposit date: | 2023-06-15 | Release date: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Fragment Merging, Growing, and Linking Identify New Trypanothione Reductase Inhibitors for Leishmaniasis. J.Med.Chem., 67, 2024
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8PF5
| Crystal structure of Trypanosoma brucei trypanothione reductase in complex with 1-(3,4-dichlorobenzyl)-4-(((5-((4-fluorophenethyl)carbamoyl)furan-2-yl)methyl)carbamoyl)-1-(3-phenylpropyl)piperazin-1-ium | Descriptor: | 4-[(3,4-dichlorophenyl)methyl]-~{N}-[[5-[2-(4-fluorophenyl)ethylcarbamoyl]furan-2-yl]methyl]-4-(3-phenylpropyl)-1,4$l^{4}-diazinane-1-carboxamide, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | Authors: | Exertier, C, Antonelli, L, Fiorillo, A, Ilari, A. | Deposit date: | 2023-06-15 | Release date: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.42 Å) | Cite: | Fragment Merging, Growing, and Linking Identify New Trypanothione Reductase Inhibitors for Leishmaniasis. J.Med.Chem., 67, 2024
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1QJC
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1NLJ
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1OY0
| The crystal Structure of the First Enzyme of Pantothenate Biosynthetic Pathway, Ketopantoate Hydroxymethyltransferase from Mycobacterium Tuberculosis Shows a Decameric Assembly and Terminal Helix-Swapping | Descriptor: | Ketopantoate hydroxymethyltransferase, MAGNESIUM ION | Authors: | Chaudhuri, B.N, Sawaya, M.R, Kim, C.Y, Waldo, G.S, Park, M.S, Terwilliger, T.C, Yeates, T.O, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2003-04-03 | Release date: | 2003-07-15 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | The Crystal Structure of the First Enzyme in the Pantothenate Biosynthetic Pathway,
Ketopantoate Hydroxymethyltransferase, from M. tuberculosis Structure, 11, 2003
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1NL6
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8Q0P
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8Q0E
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1H1T
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1TCD
| TRYPANOSOMA CRUZI TRIOSEPHOSPHATE ISOMERASE | Descriptor: | TRIOSEPHOSPHATE ISOMERASE | Authors: | Maldonado, E, Soriano-Garcia, M, Cabrera, N, Garza-Ramos, G, Tuena De Gomez-Puyou, M, Gomez-Puyou, A, Perez-Montfort, R. | Deposit date: | 1998-01-29 | Release date: | 1999-01-13 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Differences in the intersubunit contacts in triosephosphate isomerase from two closely related pathogenic trypanosomes. J.Mol.Biol., 283, 1998
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1GXF
| CRYSTAL STRUCTURE OF TRYPANOSOMA CRUZI TRYPANOTHIONE REDUCTASE IN COMPLEX WITH THE INHIBITOR QUINACRINE MUSTARD | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, MALEIC ACID, QUINACRINE MUSTARD, ... | Authors: | Bond, C.S, Peterson, M.R, Vickers, T.J, Fairlamb, A.H, Hunter, W.N. | Deposit date: | 2002-04-04 | Release date: | 2004-05-06 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Two Interacting Binding Sites for Quinacrine Derivatives in the Active Site of Trypanothione Reductase: A Template for Drug Design J.Biol.Chem., 279, 2004
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2ON3
| A structural insight into the inhibition of human and Leishmania donovani ornithine decarboxylases by 3-aminooxy-1-aminopropane | Descriptor: | 3-AMINOOXY-1-AMINOPROPANE, Ornithine decarboxylase | Authors: | Dufe, V.T, Ingner, D, Heby, O, Khomutov, A.R, Persson, L, Al-Karadaghi, S. | Deposit date: | 2007-01-23 | Release date: | 2007-07-17 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | A structural insight into the inhibition of human and Leishmania donovani ornithine decarboxylases by 1-amino-oxy-3-aminopropane. Biochem.J., 405, 2007
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1FPV
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2OO0
| A structural insight into the inhibition of human and Leishmania donovani ornithine decarboxylases by 3-aminooxy-1-aminopropane | Descriptor: | 3-AMINOOXY-1-AMINOPROPANE, ACETATE ION, Ornithine decarboxylase, ... | Authors: | Dufe, V.T, Ingner, D, Khomutov, A.R, Heby, O, Persson, L, Al-Karadaghi, S. | Deposit date: | 2007-01-25 | Release date: | 2007-07-17 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | A structural insight into the inhibition of human and Leishmania donovani ornithine decarboxylases by 1-amino-oxy-3-aminopropane. Biochem.J., 405, 2007
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8GTR
| CryoEM structure of human Pannexin isoform 3 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, PHOSPHATIDYLETHANOLAMINE, Pannexin-3 | Authors: | Hussain, N, Penmatsa, A. | Deposit date: | 2022-09-08 | Release date: | 2024-02-28 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.91 Å) | Cite: | Cryo-EM structures of pannexin 1 and 3 reveal differences among pannexin isoforms. Nat Commun, 15, 2024
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7UEP
| PANK3 complex structure with compound PZ-3860 | Descriptor: | 1,2-ETHANEDIOL, 1-[(2R)-4-(6-chloropyridazin-3-yl)-2-methylpiperazin-1-yl]-2-(4-cyclopropylphenyl)ethan-1-one, MAGNESIUM ION, ... | Authors: | White, S.W, Yun, M, Lee, R.E. | Deposit date: | 2022-03-22 | Release date: | 2023-03-29 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Development of Brain Penetrant Pyridazine Pantothenate Kinase Activators. J.Med.Chem., 67, 2024
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7UEO
| PANK3 complex structure with compound PZ-3977 | Descriptor: | 1,2-ETHANEDIOL, 6-{4-[(4-cyclopropyl-2-fluorophenyl)acetyl]piperazin-1-yl}pyridazine-3-carbonitrile, MAGNESIUM ION, ... | Authors: | White, S.W, Yun, M, Lee, R.E. | Deposit date: | 2022-03-22 | Release date: | 2023-03-29 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Development of Brain Penetrant Pyridazine Pantothenate Kinase Activators. J.Med.Chem., 67, 2024
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7UE4
| PANK3 complex structure with compound PZ-3855 | Descriptor: | 1,2-ETHANEDIOL, 1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-(4-cyclopropylphenyl)ethan-1-one, ACETATE ION, ... | Authors: | White, S.W, Yun, M, Lee, R.E. | Deposit date: | 2022-03-21 | Release date: | 2023-03-29 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Development of Brain Penetrant Pyridazine Pantothenate Kinase Activators. J.Med.Chem., 67, 2024
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7UEQ
| PANK3 complex structure with compound PZ-4061 | Descriptor: | 1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-[4-(dimethylamino)phenyl]ethan-1-one, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | Authors: | White, S.W, Yun, M, Lee, R.E. | Deposit date: | 2022-03-22 | Release date: | 2023-03-29 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Development of Brain Penetrant Pyridazine Pantothenate Kinase Activators. J.Med.Chem., 67, 2024
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7UE7
| PANK3 complex structure with compound PZ-3883 | Descriptor: | 1,2-ETHANEDIOL, 6-{4-[(4-cyclopropyl-3-fluorophenyl)acetyl]piperazin-1-yl}pyridazine-3-carbonitrile, ACETATE ION, ... | Authors: | White, S.W, Yun, M, Lee, R.E. | Deposit date: | 2022-03-21 | Release date: | 2023-03-29 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Development of Brain Penetrant Pyridazine Pantothenate Kinase Activators. J.Med.Chem., 67, 2024
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7F8J
| Cryo-EM structure of human pannexin-1 in a nanodisc | Descriptor: | 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, Pannexin-1 | Authors: | Kuzuya, M, Hirano, H, Hayashida, K, Watanabe, M, Kobayashi, K, Tani, K, Fujiyoshi, Y, Oshima, A. | Deposit date: | 2021-07-02 | Release date: | 2022-01-26 | Last modified: | 2022-02-23 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Structures of human pannexin-1 in nanodiscs reveal gating mediated by dynamic movement of the N terminus and phospholipids. Sci.Signal., 15, 2022
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