2LXS
 
 | | Allosteric communication in the KIX domain proceeds through dynamic re-packing of the hydrophobic core | | Descriptor: | CREB-binding protein, Histone-lysine N-methyltransferase MLL | | Authors: | Bruschweiler, S, Schanda, P, Konrat, R, Tollinger, M. | | Deposit date: | 2012-08-31 | | Release date: | 2013-06-12 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Allosteric communication in the KIX domain proceeds through dynamic repacking of the hydrophobic core.
Acs Chem.Biol., 8, 2013
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5KTT
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2LVB
 | | Solution NMR Structure DE NOVO DESIGNED PFK fold PROTEIN, Northeast Structural Genomics Consortium (NESG) Target OR250 | | Descriptor: | DE NOVO DESIGNED PFK fold PROTEIN | | Authors: | Liu, G, Koga, N, Koga, R, Xiao, R, Hamilton, K, Kohan, E, Acton, T.B, Kornhaber, G, Everett, J.K, Baker, D, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2012-06-30 | | Release date: | 2012-08-08 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Principles for designing ideal protein structures.
Nature, 491, 2012
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5LGS
 | | Crystal structure of mouse CARM1 in complex with ligand P2C3u | | Descriptor: | (2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[(~{E})-prop-1-enyl]oxolane-3,4-diol, 1,2-DIMETHOXYETHANE, 1,2-ETHANEDIOL, ... | | Authors: | Marechal, N, Troffer-Charlier, N, Cura, V, Bonnefond, L, Cavarelli, J. | | Deposit date: | 2016-07-08 | | Release date: | 2017-03-22 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Transition state mimics are valuable mechanistic probes for structural studies with the arginine methyltransferase CARM1.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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2LXP
 | | NMR structure of two domains in ubiquitin ligase gp78, RING and G2BR, bound to its conjugating enzyme Ube2g | | Descriptor: | E3 ubiquitin-protein ligase AMFR, Ubiquitin-conjugating enzyme E2 G2, ZINC ION | | Authors: | Das, R, Linag, Y, Mariano, J, Li, J, Huang, T, King, A, Weissman, A, Ji, X, Byrd, R. | | Deposit date: | 2012-08-30 | | Release date: | 2013-08-28 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Allosteric regulation of E2:E3 interactions promote a processive ubiquitination machine.
Embo J., 32, 2013
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6DIA
 | | DNA polymerase beta substrate complex with templating cytosine and incoming Fapy-dGTP analog | | Descriptor: | 1-[2-amino-5-(formylamino)-6-oxo-1,6-dihydropyrimidin-4-yl]-2,5-anhydro-1,3-dideoxy-6-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-D-ribo-hexitol, CALCIUM ION, DNA (5'-D(*CP*CP*GP*AP*CP*CP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), ... | | Authors: | Freudenthal, B.D, Smith, M.R, Wilson, S.H, Beard, W.A. | | Deposit date: | 2018-05-23 | | Release date: | 2019-01-30 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.969 Å) | | Cite: | A guardian residue hinders insertion of a Fapy•dGTP analog by modulating the open-closed DNA polymerase transition.
Nucleic Acids Res., 47, 2019
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5LHG
 | | Structure of the KDM1A/CoREST complex with the inhibitor 4-methyl-N-[4-[[4-(1-methylpiperidin-4-yl)oxyphenoxy]methyl]phenyl]thieno[3,2-b]pyrrole-5-carboxamide | | Descriptor: | 4-methyl-N-[4-[[4-[(1-methyl-4-piperidyl)oxy]phenoxy]methyl]phenyl]thieno[3,2-b]pyrrole-5-carboxamide, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | | Authors: | Cecatiello, V, Pasqualato, S. | | Deposit date: | 2016-07-11 | | Release date: | 2017-02-22 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.34 Å) | | Cite: | Thieno[3,2-b]pyrrole-5-carboxamides as New Reversible Inhibitors of Histone Lysine Demethylase KDM1A/LSD1. Part 2: Structure-Based Drug Design and Structure-Activity Relationship.
J. Med. Chem., 60, 2017
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6DIC
 | | D276G DNA polymerase beta substrate complex with templating cytosine and incoming Fapy-dGTP analog | | Descriptor: | 1-[2-amino-5-(formylamino)-6-oxo-1,6-dihydropyrimidin-4-yl]-2,5-anhydro-1,3-dideoxy-6-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-D-ribo-hexitol, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Freudenthal, B.D, Smith, M.R, Wilson, S.H, Beard, W.A. | | Deposit date: | 2018-05-23 | | Release date: | 2019-01-30 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.992 Å) | | Cite: | A guardian residue hinders insertion of a Fapy•dGTP analog by modulating the open-closed DNA polymerase transition.
Nucleic Acids Res., 47, 2019
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8T9B
 | | Structure of the CK variant of Fab F1 (FabC-F1) in complex with the C-terminal FN3 domain of EphA2 | | Descriptor: | CK variant of Fab F1 heavy chain, CK variant of Fab F1 light chain, Ephrin type-A receptor 2 | | Authors: | Singer, A.U, Bruce, H.A, Enderle, L, Blazer, L, Adams, J.J, Sicheri, F, Sidhu, S.S. | | Deposit date: | 2023-06-23 | | Release date: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (4.2 Å) | | Cite: | Engineered Antigen-binding Fragments for Enhanced Crystallization of Antibody:Antigen Complexes
To be Published
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2LXT
 | | Allosteric communication in the KIX domain proceeds through dynamic re-packing of the hydrophobic core | | Descriptor: | CREB-binding protein, Cyclic AMP-responsive element-binding protein 1, Histone-lysine N-methyltransferase MLL | | Authors: | Bruschweiler, S, Schanda, P, Konrat, R, Tollinger, M. | | Deposit date: | 2012-08-31 | | Release date: | 2013-06-12 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Allosteric communication in the KIX domain proceeds through dynamic repacking of the hydrophobic core.
Acs Chem.Biol., 8, 2013
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2LXH
 | | NMR structure of the RING domain in ubiquitin ligase gp78 | | Descriptor: | E3 ubiquitin-protein ligase AMFR, ZINC ION | | Authors: | Das, R, Linag, Y, Mariano, J, Li, J, Huang, T, King, A, Weissman, A, Ji, X, Byrd, R. | | Deposit date: | 2012-08-27 | | Release date: | 2013-08-28 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Allosteric regulation of E2:E3 interactions promote a processive ubiquitination machine.
Embo J., 32, 2013
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6DNC
 | | E.coli RF1 bound to E.coli 70S ribosome in response to UAU sense A-site codon | | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | | Authors: | Svidritskiy, E, Demo, G, Korostelev, A.A. | | Deposit date: | 2018-06-06 | | Release date: | 2018-07-04 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Mechanism of premature translation termination on a sense codon.
J. Biol. Chem., 293, 2018
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7SA4
 | | Damaged 70S ribosome with PrfH bound | | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | | Authors: | Tian, Y, Zeng, F, Raybarman, A, Carruthers, A, Li, Q, Fatma, S, Huang, R.H. | | Deposit date: | 2021-09-22 | | Release date: | 2022-08-03 | | Method: | ELECTRON MICROSCOPY (2.55 Å) | | Cite: | Sequential rescue and repair of stalled and damaged ribosome by bacterial PrfH and RtcB.
Proc.Natl.Acad.Sci.USA, 119, 2022
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6P3Q
 | | Calpain-5 (CAPN5) Protease Core (PC) | | Descriptor: | Calpain-5 | | Authors: | Velez, G, Sun, Y.J, Khan, S, Yang, J, Koster, H.J, Lokesh, G, Mahajan, V. | | Deposit date: | 2019-05-24 | | Release date: | 2020-02-05 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural Insights into the Unique Activation Mechanisms of a Non-classical Calpain and Its Disease-Causing Variants.
Cell Rep, 30, 2020
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2LV8
 | | Solution NMR Structure de novo designed rossmann 2x2 fold protein, Northeast Structural Genomics Consortium (NESG) Target OR16 | | Descriptor: | De novo designed rossmann 2x2 fold protein | | Authors: | Liu, G, Koga, R, Koga, N, Xiao, R, Pederson, K, Hamilton, K, Ciccosanti, C, Acton, T.B, Everett, J.K, Baker, D, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2012-06-29 | | Release date: | 2012-08-08 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Principles for designing ideal protein structures.
Nature, 491, 2012
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6PQY
 | | Cryo-EM structure of HzTransib/TIR DNA transposon end complex (TEC) | | Descriptor: | DNA (5'-D(P*CP*AP*CP*GP*GP*TP*GP*GP*AP*TP*CP*GP*AP*AP*AP*A)-3'), DNA (5'-D(P*TP*TP*TP*TP*CP*GP*AP*TP*CP*CP*AP*CP*CP*GP*TP*G)-3'), Putative DNA-mediated transposase | | Authors: | Liu, C, Yang, Y, Schatz, D.G. | | Deposit date: | 2019-07-10 | | Release date: | 2019-10-09 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (4.2 Å) | | Cite: | Structures of a RAG-like transposase during cut-and-paste transposition.
Nature, 575, 2019
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6PR5
 | | Cryo-EM structure of HzTransib strand transfer complex (STC) | | Descriptor: | DNA (30-MER), DNA (39-MER), DNA (5'-D(*GP*AP*TP*CP*TP*GP*GP*CP*CP*TP*AP*GP*AP*TP*CP*TP*CP*A)-3'), ... | | Authors: | Liu, C, Yang, Y, Schatz, D.G. | | Deposit date: | 2019-07-10 | | Release date: | 2019-10-09 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Structures of a RAG-like transposase during cut-and-paste transposition.
Nature, 575, 2019
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8UAK
 | | Crystal structure of the catalytic domain of human PKC alpha (D463N, V568I, S657E) in complex with Darovasertib (NVP-LXS196) at 2.82-A resolution | | Descriptor: | (6M)-3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)pyridin-2-yl]-6-[3-(trifluoromethyl)pyridin-2-yl]pyrazine-2-carboxamide, Protein kinase C alpha type | | Authors: | Romanowski, M.J, Lam, J, Visser, M. | | Deposit date: | 2023-09-21 | | Release date: | 2024-01-24 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.82 Å) | | Cite: | Discovery of Darovasertib (NVP-LXS196), a Pan-PKC Inhibitor for the Treatment of Metastatic Uveal Melanoma.
J.Med.Chem., 67, 2024
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5OUJ
 | | Crystal structure of human AKR1B1 complexed with NADP+ and compound 39 | | Descriptor: | 2-[(1~{R})-5-(4-chlorophenyl)-9-fluoranyl-3-methyl-1-oxidanyl-1~{H}-pyrimido[4,5-c]quinolin-2-yl]ethanoic acid, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Cousido-Siah, A, Ruiz, F.X, Mitschler, A, Metwally, K, Podjarny, A. | | Deposit date: | 2017-08-24 | | Release date: | 2018-05-09 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (0.96 Å) | | Cite: | Design, synthesis, structure-activity relationships and X-ray structural studies of novel 1-oxopyrimido[4,5-c]quinoline-2-acetic acid derivatives as selective and potent inhibitors of human aldose reductase.
Eur J Med Chem, 152, 2018
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6PQU
 | | Cryo-EM structure of HzTransib/nicked TIR substrate DNA pre-reaction complex (PRC) | | Descriptor: | DNA (5'-D(P*AP*TP*CP*TP*GP*GP*CP*CP*TP*AP*GP*AP*TP*CP*T)-3'), DNA (5'-D(P*CP*AP*CP*GP*GP*TP*GP*GP*AP*TP*CP*GP*AP*AP*AP*A)-3'), DNA-mediated transposase, ... | | Authors: | Liu, C, Yang, Y, Schatz, D.G. | | Deposit date: | 2019-07-10 | | Release date: | 2019-10-09 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Structures of a RAG-like transposase during cut-and-paste transposition.
Nature, 575, 2019
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6PQX
 | | Cryo-EM structure of HzTransib/nicked TIR substrate DNA hairpin forming complex (HFC) | | Descriptor: | CALCIUM ION, DNA (5'-D(P*CP*AP*CP*GP*GP*TP*GP*GP*AP*TP*CP*GP*AP*AP*AP*A)-3'), DNA (5'-D(P*TP*CP*TP*GP*GP*CP*CP*TP*AP*GP*AP*TP*CP*T)-3'), ... | | Authors: | Liu, C, Yang, Y, Schatz, D.G. | | Deposit date: | 2019-07-10 | | Release date: | 2019-10-09 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (4.6 Å) | | Cite: | Structures of a RAG-like transposase during cut-and-paste transposition.
Nature, 575, 2019
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6PQR
 | | Cryo-EM structure of HzTransib/intact TIR substrate DNA pre-reaction complex (PRC) | | Descriptor: | DNA (5'-D(*CP*TP*AP*GP*AP*TP*CP*TP*CP*AP*CP*GP*GP*TP*GP*GP*AP*TP*CP*GP*AP*AP*AP*A)-3'), DNA (5'-D(P*TP*TP*TP*TP*CP*GP*AP*TP*CP*CP*AP*CP*CP*GP*TP*GP*AP*GP*AP*TP*CP*TP*AP*G)-3'), DNA-mediated transposase, ... | | Authors: | Liu, C, Yang, Y, Schatz, D.G. | | Deposit date: | 2019-07-09 | | Release date: | 2019-10-09 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Structures of a RAG-like transposase during cut-and-paste transposition.
Nature, 575, 2019
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7T7U
 | | Light Harvesting complex phycocyanin PC 630, from the cryptophyte Chroomonas sp. M1627 | | Descriptor: | DiCys-(15,16)-Dihydrobiliverdin, GLYCEROL, PHYCOCYANOBILIN, ... | | Authors: | Michie, K.A, Harrop, S.J, Rathbone, H.W, Wilk, K.E, Curmi, P.M.G. | | Deposit date: | 2021-12-15 | | Release date: | 2023-02-15 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Molecular structures reveal the origin of spectral variation in cryptophyte light harvesting antenna proteins.
Protein Sci., 32, 2023
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7T89
 | | Light harvesting complex Phycocyanin PC577 from the cryptophyte Hemiselmis pacifica CCMP 706 | | Descriptor: | DiCys-(15,16)-Dihydrobiliverdin, PHYCOCYANOBILIN, Phycoerythrin alpha subunit 1, ... | | Authors: | Michie, K.A, Curmi, P.C, Harrop, S, Rathbone, H.W. | | Deposit date: | 2021-12-16 | | Release date: | 2023-02-15 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Molecular structures reveal the origin of spectral variation in cryptophyte light harvesting antenna proteins.
Protein Sci., 32, 2023
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7T8S
 | | Light Harvesting complex phycoerythrin PE 566, from the cryptophyte Cryptomonas pyrenoidifera | | Descriptor: | Bilin 584 (doubly linked), Bilin 584 (single linked), Bilin 618 (single linked), ... | | Authors: | Michie, K.A, Harrop, S.J, Rathbone, H.W, Wilk, K.E, Curmi, P.M.G. | | Deposit date: | 2021-12-17 | | Release date: | 2023-02-15 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Molecular structures reveal the origin of spectral variation in cryptophyte light harvesting antenna proteins.
Protein Sci., 32, 2023
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