7RUT
 
 | | Structure of Human ATP:Cobalamin Adenosyltransferase R190C bound to ATP | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Corrinoid adenosyltransferase, GLYCEROL, ... | | Authors: | Mascarenhas, R, Gouda, H, Koutmos, M, Banerjee, R. | | Deposit date: | 2021-08-18 | | Release date: | 2021-11-24 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Patient mutations in human ATP:cob(I)alamin adenosyltransferase differentially affect its catalytic versus chaperone functions.
J.Biol.Chem., 297, 2021
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7RUV
 | | Structure of Human ATP:Cobalamin Adenosyltransferase E193K bound to adenosylcobalamin | | Descriptor: | 5'-DEOXYADENOSINE, COBALAMIN, Corrinoid adenosyltransferase, ... | | Authors: | Mascarenhas, R, Gouda, H, Koutmos, M, Banerjee, R. | | Deposit date: | 2021-08-18 | | Release date: | 2021-11-24 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Patient mutations in human ATP:cob(I)alamin adenosyltransferase differentially affect its catalytic versus chaperone functions.
J.Biol.Chem., 297, 2021
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7SEA
 | | Crystal structure of human Fibrillarin in complex with compound 2 from cocktail soak | | Descriptor: | 6-(trifluoromethyl)pyrimidin-4-amine, DIMETHYL SULFOXIDE, FORMIC ACID, ... | | Authors: | Shi, Y, El-Deeb, I.M, Masic, V, Hartley-Tassell, L, Maggioni, A, von Itzstein, M, Ve, T. | | Deposit date: | 2021-09-30 | | Release date: | 2022-02-09 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | Discovery of Cofactor Competitive Inhibitors against the Human Methyltransferase Fibrillarin.
Pharmaceuticals, 15, 2021
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7SE7
 | | Crystal structure of human Fibrillarin in complex with S-adenosyl-L-methionine | | Descriptor: | S-ADENOSYLMETHIONINE, rRNA 2'-O-methyltransferase fibrillarin | | Authors: | Shi, Y, El-Deeb, I.M, Masic, V, Hartley-Tassell, L, Maggioni, A, von Itzstein, M, Ve, T. | | Deposit date: | 2021-09-30 | | Release date: | 2022-02-09 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Discovery of Cofactor Competitive Inhibitors against the Human Methyltransferase Fibrillarin.
Pharmaceuticals, 15, 2021
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7SED
 | | Crystal structure of human Fibrillarin in complex with compound 2a | | Descriptor: | FORMIC ACID, N-(piperidin-4-yl)-6-(trifluoromethyl)pyrimidin-4-amine, rRNA 2'-O-methyltransferase fibrillarin | | Authors: | Shi, Y, El-Deeb, I.M, Masic, V, Hartley-Tassell, L, Maggioni, A, von Itzstein, M, Ve, T. | | Deposit date: | 2021-09-30 | | Release date: | 2022-02-09 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Discovery of Cofactor Competitive Inhibitors against the Human Methyltransferase Fibrillarin.
Pharmaceuticals, 15, 2021
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7SEC
 | | Crystal structure of human Fibrillarin in complex with compound 1a | | Descriptor: | 2-[(8S)-4-oxo-2-(trifluoromethyl)-4,5-dihydropyrazolo[1,5-a]pyrazin-6-yl]acetamide, DIMETHYL SULFOXIDE, FORMIC ACID, ... | | Authors: | Shi, Y, El-Deeb, I.M, Masic, V, Hartley-Tassell, L, Maggioni, A, von Itzstein, M, Ve, T. | | Deposit date: | 2021-09-30 | | Release date: | 2022-02-09 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Discovery of Cofactor Competitive Inhibitors against the Human Methyltransferase Fibrillarin.
Pharmaceuticals, 15, 2021
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7SE6
 | | Crystal structure of human Fibrillarin in ligand-free state | | Descriptor: | FORMIC ACID, rRNA 2'-O-methyltransferase fibrillarin | | Authors: | Shi, Y, El-Deeb, I.M, Masic, V, Hartley-Tassell, L, Maggioni, A, von Itzstein, M, Ve, T. | | Deposit date: | 2021-09-30 | | Release date: | 2022-02-09 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Discovery of Cofactor Competitive Inhibitors against the Human Methyltransferase Fibrillarin.
Pharmaceuticals, 15, 2021
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7SEB
 | | Crystal structure of human Fibrillarin in complex with compound 2 from single soak | | Descriptor: | 6-(trifluoromethyl)pyrimidin-4-amine, FORMIC ACID, rRNA 2'-O-methyltransferase fibrillarin | | Authors: | Shi, Y, El-Deeb, I.M, Masic, V, Hartley-Tassell, L, Maggioni, A, von Itzstein, M, Ve, T. | | Deposit date: | 2021-09-30 | | Release date: | 2022-02-09 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Discovery of Cofactor Competitive Inhibitors against the Human Methyltransferase Fibrillarin.
Pharmaceuticals, 15, 2021
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7SE8
 | | Crystal structure of human Fibrillarin in complex with fragment 1 from cocktail soak | | Descriptor: | (5S)-3-methyl-7-(trifluoromethyl)pyrrolo[1,2-a]pyrazin-1(2H)-one, DIMETHYL SULFOXIDE, FORMIC ACID, ... | | Authors: | Shi, Y, El-Deeb, I.M, Masic, V, Hartley-Tassell, L, Maggioni, A, von Itzstein, M, Ve, T. | | Deposit date: | 2021-09-30 | | Release date: | 2022-02-09 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Discovery of Cofactor Competitive Inhibitors against the Human Methyltransferase Fibrillarin.
Pharmaceuticals, 15, 2021
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7SE9
 | | Crystal structure of human Fibrillarin in complex with compound 1 from single soak | | Descriptor: | (5S)-3-methyl-7-(trifluoromethyl)pyrrolo[1,2-a]pyrazin-1(2H)-one, DIMETHYL SULFOXIDE, FORMIC ACID, ... | | Authors: | Shi, Y, El-Deeb, I.M, Masic, V, Hartley-Tassell, L, Maggioni, A, von Itzstein, M, Ve, T. | | Deposit date: | 2021-09-30 | | Release date: | 2022-02-09 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Discovery of Cofactor Competitive Inhibitors against the Human Methyltransferase Fibrillarin.
Pharmaceuticals, 15, 2021
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7SLQ
 | | Cryo-EM structure of 7SK core RNP with circular RNA | | Descriptor: | 7SK snRNA methylphosphate capping enzyme, La-related protein 7, Minimal circular 7SK RNA, ... | | Authors: | Yang, Y, Liu, S, Zhou, Z.H, Feigon, J. | | Deposit date: | 2021-10-24 | | Release date: | 2022-03-30 | | Last modified: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Structural basis of RNA conformational switching in the transcriptional regulator 7SK RNP.
Mol.Cell, 82, 2022
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7SLP
 | | Cryo-EM structure of 7SK core RNP with linear RNA | | Descriptor: | 7SK snRNA methylphosphate capping enzyme, La-related protein 7, Linear 7SK RNA, ... | | Authors: | Yang, Y, Liu, S, Zhou, Z.H, Feigon, J. | | Deposit date: | 2021-10-24 | | Release date: | 2022-03-30 | | Last modified: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (4.1 Å) | | Cite: | Structural basis of RNA conformational switching in the transcriptional regulator 7SK RNP.
Mol.Cell, 82, 2022
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7SCX
 | | KRAS full-length G12V in complex with RGL1 Ras association domain | | Descriptor: | 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, Isoform 2B of GTPase KRas, MAGNESIUM ION, ... | | Authors: | Eves, B.J, Kuntz, D.A, Ikura, M, Marshall, C.B. | | Deposit date: | 2021-09-29 | | Release date: | 2022-05-18 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Structures of RGL1 RAS-Association Domain in Complex with KRAS and the Oncogenic G12V Mutant.
J.Mol.Biol., 434, 2022
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7S7J
 | | Structure of Human SPASTIN-IST1 complex. | | Descriptor: | CALCIUM ION, CHLORIDE ION, IST1 homolog, ... | | Authors: | Skalicky, J.J, Sundquist, W.I. | | Deposit date: | 2021-09-16 | | Release date: | 2022-09-28 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | Comprehensive analysis of the human ESCRT-III-MIT domain interactome reveals new cofactors for cytokinetic abscission.
Elife, 11, 2022
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4YEG
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4X8M
 | | Crystal structure of E. coli Adenylate kinase Y171W mutant | | Descriptor: | Adenylate kinase | | Authors: | Sauer-Eriksson, A.E, Kovermann, M, Aden, J, Grundstrom, C, Wolf-Watz, M, Sauer, U.H. | | Deposit date: | 2014-12-10 | | Release date: | 2015-07-15 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural basis for catalytically restrictive dynamics of a high-energy enzyme state.
Nat Commun, 6, 2015
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4X8O
 | | Crystal structure of E. coli Adenylate kinase Y171W mutant in complex with inhibitor Ap5a | | Descriptor: | Adenylate kinase, BIS(ADENOSINE)-5'-PENTAPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Sauer-Eriksson, A.E, Kovermann, M, Aden, J, Grundstrom, C, Wolf-Watz, M, Sauer, U.H. | | Deposit date: | 2014-12-10 | | Release date: | 2015-07-15 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural basis for catalytically restrictive dynamics of a high-energy enzyme state.
Nat Commun, 6, 2015
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5F8A
 | | Crystal structure of the ternary EcoRV-DNA-Lu complex with uncleaved DNA substrate. Lanthanide binding to EcoRV-DNA complex inhibits cleavage. | | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*AP*AP*AP*GP*AP*TP*AP*TP*CP*TP*TP*T)-3'), LUTETIUM (III) ION, ... | | Authors: | Sangani, S.S, Kehr, A.D, Sinha, K, Rule, G.S, Jen-Jacobson, L. | | Deposit date: | 2015-12-09 | | Release date: | 2016-11-09 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Metal Ion Binding at the Catalytic Site Induces Widely Distributed Changes in a Sequence Specific Protein-DNA Complex.
Biochemistry, 55, 2016
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4X5X
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4X8L
 | | Crystal structure of E. coli Adenylate kinase P177A mutant in complex with inhibitor Ap5a | | Descriptor: | Adenylate kinase, BIS(ADENOSINE)-5'-PENTAPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Sauer-Eriksson, A.E, Kovermann, M, Aden, J, Grundstrom, C, Wolf-Watz, M, Sauer, U.H. | | Deposit date: | 2014-12-10 | | Release date: | 2015-07-22 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural basis for catalytically restrictive dynamics of a high-energy enzyme state.
Nat Commun, 6, 2015
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4X8H
 | | Crystal structure of E. coli Adenylate kinase P177A mutant | | Descriptor: | Adenylate kinase | | Authors: | Sauer-Eriksson, A.E, Kovermann, M, Aden, J, Grundstrom, C, Wolf-Watz, M, Sauer, U.H. | | Deposit date: | 2014-12-10 | | Release date: | 2015-07-22 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural basis for catalytically restrictive dynamics of a high-energy enzyme state.
Nat Commun, 6, 2015
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5EKI
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4YN6
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4Z22
 | | structure of plasmepsin II from Plasmodium Falciparum complexed with inhibitor DR718A | | Descriptor: | 2-amino-7-phenyl-3-{[(2R,5S)-5-phenyltetrahydrofuran-2-yl]methyl}quinazolin-4(3H)-one, Plasmepsin-2 | | Authors: | Recacha, R, Leitans, J, Tars, K, Jaudzems, K. | | Deposit date: | 2015-03-28 | | Release date: | 2016-01-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.62 Å) | | Cite: | Fragment-Based Discovery of 2-Aminoquinazolin-4(3H)-ones As Novel Class Nonpeptidomimetic Inhibitors of the Plasmepsins I, II, and IV.
J.Med.Chem., 59, 2016
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4ZBF
 | | Mcl-1 complexed with small molecules | | Descriptor: | (1R)-7-[3-(naphthalen-1-yloxy)propyl]-3,4-dihydro-2H-[1,4]thiazepino[2,3,4-hi]indole-6-carboxylic acid 1-oxide, Induced myeloid leukemia cell differentiation protein Mcl-1 | | Authors: | Zhao, B. | | Deposit date: | 2015-04-14 | | Release date: | 2015-04-29 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Discovery of tricyclic indoles that potently inhibit mcl-1 using fragment-based methods and structure-based design.
J.Med.Chem., 58, 2015
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