7UEV
 
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7UEX
 | | PANK3 complex structure with compound PZ-4127 | | Descriptor: | 1,2-ETHANEDIOL, 2-(4-{2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-oxoethyl}anilino)-2-oxoethyl acetate, ACETATE ION, ... | | Authors: | White, S.W, Yun, M, Lee, R.E. | | Deposit date: | 2022-03-22 | | Release date: | 2023-03-29 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Discovery of hPANK Activators with Improved Pharmacological Properties
To Be Published
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7UER
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7UEU
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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: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Discovery of hPANK Activators with Improved Pharmacological Properties
To Be Published
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7UEY
 | | PANK3 complex structure with compound PZ-4128 | | Descriptor: | 1,2-ETHANEDIOL, MAGNESIUM ION, N-(4-{2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-oxoethyl}phenyl)-2-hydroxyacetamide, ... | | Authors: | White, S.W, Yun, M, Lee, R.E. | | Deposit date: | 2022-03-22 | | Release date: | 2023-03-29 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Discovery of hPANK Activators with Improved Pharmacological Properties
To Be Published
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7UE6
 | | PANK3 complex structure with compound PZ-3802 | | Descriptor: | 1,2-ETHANEDIOL, 6-(4-{[5-fluoro-6-(propan-2-yl)pyridin-3-yl]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: | 2023-04-05 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Discovery of hPANK Activators with Improved Pharmacological Properties
To Be Published
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5EK9
 | | Crystal structure of the second bromodomain of human BRD2 in complex with a tetrahydroquinoline inhibitor | | Descriptor: | Bromodomain-containing protein 2, propan-2-yl ~{N}-[(2~{S},4~{R})-1-ethanoyl-6-(furan-2-yl)-2-methyl-3,4-dihydro-2~{H}-quinolin-4-yl]carbamate | | Authors: | Tallant, C, Slavish, P.J, Siejka, P, Bharatham, N, Shadrick, W.R, Chai, S, Young, B.M, Boyd, V.A, Heroven, C, Picaud, S, Fedorov, O, Chen, T, Lee, R.E, Guy, R.K, Shelat, A.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2015-11-03 | | Release date: | 2016-11-16 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | Exploiting a water network to achieve enthalpy-driven, bromodomain-selective BET inhibitors.
Bioorg. Med. Chem., 26, 2018
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7ODR
 | | State A of the human mitoribosomal large subunit assembly intermediate | | Descriptor: | 16S mitochondrial rRNA, DNA (31-MER),16S mitochondrial rRNA, 39S ribosomal protein L10, ... | | Authors: | Lenarcic, T, Jaskolowski, M, Leibundgut, M, Scaiola, A, Schoenhut, T, Saurer, M, Lee, R.G, Rackham, O, Filipovska, A, Ban, N. | | Deposit date: | 2021-04-30 | | Release date: | 2021-06-23 | | Last modified: | 2023-11-15 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Stepwise maturation of the peptidyl transferase region of human mitoribosomes.
Nat Commun, 12, 2021
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7ODT
 | | State C of the human mitoribosomal large subunit assembly intermediate | | Descriptor: | 16S mitochondrial rRNA, 39S ribosomal protein L10, mitochondrial, ... | | Authors: | Lenarcic, T, Jaskolowski, M, Leibundgut, M, Scaiola, A, Schoenhut, T, Saurer, M, Lee, R.G, Rackham, O, Filipovska, A, Ban, N. | | Deposit date: | 2021-04-30 | | Release date: | 2021-06-23 | | Last modified: | 2023-11-15 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Stepwise maturation of the peptidyl transferase region of human mitoribosomes.
Nat Commun, 12, 2021
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7ODS
 | | State B of the human mitoribosomal large subunit assembly intermediate | | Descriptor: | 16S mitochondrial rRNA, DNA (30-MER),16S mitochondrial rRNA, 39S ribosomal protein L10, ... | | Authors: | Lenarcic, T, Jaskolowski, M, Leibundgut, M, Scaiola, A, Schoenhut, T, Saurer, M, Lee, R.G, Rackham, O, Filipovska, A, Ban, N. | | Deposit date: | 2021-04-30 | | Release date: | 2021-06-23 | | Last modified: | 2023-11-15 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Stepwise maturation of the peptidyl transferase region of human mitoribosomes.
Nat Commun, 12, 2021
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7EXF
 | | Crystal structure of wild-type from Arabidopsis thaliana complexed with Galactose | | Descriptor: | Probable galactinol--sucrose galactosyltransferase 6, beta-D-galactopyranose | | Authors: | Chuankhayan, P, Guan, H.H, Lin, C.C, Chen, N.C, Huang, Y.C, Yoshimura, M, Nakagawa, A, Lee, R.H, Chen, C.J. | | Deposit date: | 2021-05-27 | | Release date: | 2022-11-30 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.17 Å) | | Cite: | Structural insight into the hydrolase and synthase activities of an alkaline alpha-galactosidase from Arabidopsis from complexes with substrate/product.
Acta Crystallogr D Struct Biol, 79, 2023
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7EXQ
 | | Crystal structure of alkaline alpha-galactosidase D383A mutant from Arabidopsis thaliana complexed with product-galactose and sucrose. | | Descriptor: | Probable galactinol--sucrose galactosyltransferase 6, beta-D-fructofuranose-(2-1)-alpha-D-glucopyranose, beta-D-galactopyranose | | Authors: | Chuankhayan, P, Guan, H.H, Lin, C.C, Chen, N.C, Huang, Y.C, Yoshimura, M, Nakagawa, A, Lee, R.H, Chen, C.J. | | Deposit date: | 2021-05-28 | | Release date: | 2022-11-30 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural insight into the hydrolase and synthase activities of an alkaline alpha-galactosidase from Arabidopsis from complexes with substrate/product.
Acta Crystallogr D Struct Biol, 79, 2023
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7EXJ
 | | Crystal structure of alkaline alpha-galctosidase D383A mutant from Arabidopsis thaliana complexed with Raffinose | | Descriptor: | Probable galactinol--sucrose galactosyltransferase 6, alpha-D-galactopyranose-(1-6)-alpha-D-glucopyranose-(1-2)-beta-D-fructofuranose | | Authors: | Chuankhayan, P, Guan, H.H, Lin, C.C, Chen, N.C, Huang, Y.C, Yoshimura, M, Nakagawa, A, Lee, R.H, Chen, C.J. | | Deposit date: | 2021-05-27 | | Release date: | 2022-11-30 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.47 Å) | | Cite: | Structural insight into the hydrolase and synthase activities of an alkaline alpha-galactosidase from Arabidopsis from complexes with substrate/product.
Acta Crystallogr D Struct Biol, 79, 2023
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7EXH
 | | Crystal structure of D383A mutant from Arabidopsis thaliana complexed with Galactinol. | | Descriptor: | Probable galactinol--sucrose galactosyltransferase 6, galactinol | | Authors: | Chuankhayan, P, Guan, H.H, Lin, C.C, Chen, N.C, Huang, Y.C, Yoshimura, M, Nakagawa, A, Lee, R.H, Chen, C.J. | | Deposit date: | 2021-05-27 | | Release date: | 2022-11-30 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.63 Å) | | Cite: | Structural insight into the hydrolase and synthase activities of an alkaline alpha-galactosidase from Arabidopsis from complexes with substrate/product.
Acta Crystallogr D Struct Biol, 79, 2023
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7EXR
 | | Crystal structure of alkaline alpha-galactosidase D383A mutant from Arabidopsis thaliana complexed with Stachyose. | | Descriptor: | Probable galactinol--sucrose galactosyltransferase 6, alpha-D-galactopyranose-(1-6)-alpha-D-galactopyranose-(1-6)-alpha-D-glucopyranose-(1-2)-beta-D-fructofuranose | | Authors: | Chuankhayan, P, Guan, H.H, Lin, C.C, Chen, N.C, Huang, Y.C, Yoshimura, M, Nakagawa, A, Lee, R.H, Chen, C.J. | | Deposit date: | 2021-05-28 | | Release date: | 2022-11-30 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural insight into the hydrolase and synthase activities of an alkaline alpha-galactosidase from Arabidopsis from complexes with substrate/product.
Acta Crystallogr D Struct Biol, 79, 2023
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7EXG
 | | Crystal structure of D383A mutant from Arabidopsis thaliana complexed with Galactose. | | Descriptor: | Probable galactinol--sucrose galactosyltransferase 6, beta-D-galactopyranose | | Authors: | Chuankhayan, P, Guan, H.H, Lin, C.C, Chen, N.C, Huang, Y.C, Yoshimura, M, Nakagawa, A, Lee, R.H, Chen, C.J. | | Deposit date: | 2021-05-27 | | Release date: | 2022-11-30 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Structural insight into the hydrolase and synthase activities of an alkaline alpha-galactosidase from Arabidopsis from complexes with substrate/product.
Acta Crystallogr D Struct Biol, 79, 2023
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4D8Z
 | | Crystal structure of B. anthracis DHPS with compound 24 | | Descriptor: | (3R)-3-(7-amino-4,5-dioxo-1,4,5,6-tetrahydropyrimido[4,5-c]pyridazin-3-yl)butanoic acid, Dihydropteroate Synthase, SULFATE ION | | Authors: | Hammoudeh, D, Lee, R.E, White, S.W. | | Deposit date: | 2012-01-11 | | Release date: | 2012-03-28 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.198 Å) | | Cite: | Structure-Based Design of Novel Pyrimido[4,5-c]pyridazine Derivatives as Dihydropteroate Synthase Inhibitors with Increased Affinity.
Chemmedchem, 7, 2012
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4DAF
 | | Crystal structure of B. anthracis DHPS with compound 19 | | Descriptor: | (2R)-2-(7-amino-4,5-dioxo-1,4,5,6-tetrahydropyrimido[4,5-c]pyridazin-3-yl)propanoic acid, Dihydropteroate Synthase, SULFATE ION | | Authors: | Hammoudeh, D, Lee, R.E, White, S.W. | | Deposit date: | 2012-01-12 | | Release date: | 2012-04-04 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.501 Å) | | Cite: | Structure-Based Design of Novel Pyrimido[4,5-c]pyridazine Derivatives as Dihydropteroate Synthase Inhibitors with Increased Affinity.
Chemmedchem, 7, 2012
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4D8A
 | | Crystal structure of B. anthracis DHPS with compound 21 | | Descriptor: | Dihydropteroate synthase, LYSINE, SULFATE ION, ... | | Authors: | Hammoudeh, D, Lee, R.E, White, S.W. | | Deposit date: | 2012-01-10 | | Release date: | 2012-04-04 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.183 Å) | | Cite: | Structure-Based Design of Novel Pyrimido[4,5-c]pyridazine Derivatives as Dihydropteroate Synthase Inhibitors with Increased Affinity.
Chemmedchem, 7, 2012
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4DAI
 | | Crystal structure of B. anthracis DHPS with compound 23 | | Descriptor: | (7-amino-4,5-dioxo-1,4,5,6-tetrahydropyrimido[4,5-c]pyridazin-3-yl)acetic acid, Dihydropteroate Synthase, SULFATE ION | | Authors: | Hammoudeh, D, Lee, R.E, White, S.W. | | Deposit date: | 2012-01-12 | | Release date: | 2012-03-28 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure-Based Design of Novel Pyrimido[4,5-c]pyridazine Derivatives as Dihydropteroate Synthase Inhibitors with Increased Affinity.
Chemmedchem, 7, 2012
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2LH8
 | | Syrian hamster prion protein with thiamine | | Descriptor: | 3-(4-AMINO-2-METHYL-PYRIMIDIN-5-YLMETHYL)-5-(2-HYDROXY-ETHYL)-4-METHYL-THIAZOL-3-IUM, Major prion protein | | Authors: | Perez-Pineiro, R, Bjorndahl, T.C, Berjanskii, M, Hau, D, Li, L, Huang, A, Lee, R, Gibbs, E, Ladner, C, Wei Dong, Y, Abera, A, Cashman, N.R, Wishart, D. | | Deposit date: | 2011-08-05 | | Release date: | 2011-09-14 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | The prion protein binds thiamine.
Febs J., 278, 2011
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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: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Discovery of hPANK Activators with Improved Pharmacological Properties
To Be Published
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7UE5
 | | PANK3 complex structure with compound PZ-3741 | | Descriptor: | 6-[4-({4-[(2R)-1,1,1-trifluoropropan-2-yl]phenyl}acetyl)piperazin-1-yl]pyridazine-3-carbonitrile, 6-[4-({4-[(2S)-1,1,1-trifluoropropan-2-yl]phenyl}acetyl)piperazin-1-yl]pyridazine-3-carbonitrile, MAGNESIUM ION, ... | | Authors: | White, S.W, Yun, M, Lee, R.E. | | Deposit date: | 2022-03-21 | | Release date: | 2023-03-29 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Discovery of hPANK Activators with Improved Pharmacological Properties
To Be Published
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7UE3
 | | PANK3 complex structure with compound PZ-3804 | | Descriptor: | 1,2-ETHANEDIOL, 6-[4-({4-[(2R)-1-hydroxypropan-2-yl]phenyl}acetyl)piperazin-1-yl]pyridazine-3-carbonitrile, MAGNESIUM ION, ... | | Authors: | White, S.W, Yun, M, Lee, R.E. | | Deposit date: | 2022-03-21 | | Release date: | 2023-03-29 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | Discovery of hPANK Activators with Improved Pharmacological Properties
To Be Published
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