7QJS
 
 | Crystal structure of a cutinase enzyme from Thermobifida fusca YX (705) | Descriptor: | Cutinase 2, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Zahn, M, Shakespeare, T.J, Beckham, G.T, McGeehan, J.E. | Deposit date: | 2021-12-17 | Release date: | 2022-12-28 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (1.429 Å) | Cite: | Sourcing thermotolerant poly(ethylene terephthalate) hydrolase scaffolds from natural diversity Nat Commun, 13, 2022
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7AVY
 
 | MerTK kinase domain in complex with quinazoline-based inhbitor | Descriptor: | N-(2-(2-cyclopropylethoxy)pyrimidin-5-yl)-7-methoxy-6-(piperidin-4-ylmethoxy)quinazolin-4-amine, SULFATE ION, Tyrosine-protein kinase Mer | Authors: | Schimpl, M, Nissink, J.W.M, Blackett, C, Goldberg, K, Hennessy, E.J, Hardaker, E, McCoull, W, McMurray, L, Collingwood, O, Overman, R, Pflug, A, Preston, M, Rawlins, P, Rivers, E, Smith, P, Underwood, E, Truman, C, Warwicker, J, Winter, J, Woodcock, S. | Deposit date: | 2020-11-06 | Release date: | 2021-03-03 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Generating Selective Leads for Mer Kinase Inhibitors-Example of a Comprehensive Lead-Generation Strategy. J.Med.Chem., 64, 2021
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7AW2
 
 | MerTK kinase domain with type 1.5 inhibitor from a DNA-encoded library | Descriptor: | 5-(2'-chloro-[1,1'-biphenyl]-4-yl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine, Tyrosine-protein kinase Mer | Authors: | Schimpl, M, Nissink, J.W.M, Blackett, C, Goldberg, K, Hennessy, E.J, Hardaker, E, McCoull, W, McMurray, L, Collingwood, O, Overman, R, Pflug, A, Preston, M, Rawlins, P, Rivers, E, Smith, P, Underwood, E, Truman, C, Warwicker, J, Winter, J, Woodcock, S. | Deposit date: | 2020-11-06 | Release date: | 2021-03-03 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Generating Selective Leads for Mer Kinase Inhibitors-Example of a Comprehensive Lead-Generation Strategy. J.Med.Chem., 64, 2021
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8KCM
 
 | MmCPDII-DNA complex containing low-dosage, light induced repaired DNA. | Descriptor: | Deoxyribodipyrimidine photo-lyase, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | Authors: | Maestre-Reyna, M, Wang, P.-H, Nango, E, Hosokawa, Y, Saft, M, Furrer, A, Yang, C.-H, Ngura Putu, E.P.G, Wu, W.-J, Emmerich, H.-J, Engilberge, S, Caramello, N, Wranik, M, Glover, H.L, Franz-Badur, S, Wu, H.-Y, Lee, C.-C, Huang, W.-C, Huang, K.-F, Chang, Y.-K, Liao, J.-H, Weng, J.-H, Gad, W, Chang, C.-W, Pang, A.H, Gashi, D, Beale, E, Ozerov, D, Milne, C, Cirelli, C, Bacellar, C, Sugahara, M, Owada, S, Joti, Y, Yamashita, A, Tanaka, R, Tanaka, T, Luo, F.J, Tono, K, Kiontke, S, Spadaccini, R, Royant, A, Yamamoto, J, Iwata, S, Standfuss, J, Essen, L.-O, Bessho, Y, Tsai, M.-D. | Deposit date: | 2023-08-08 | Release date: | 2023-11-22 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Visualizing the DNA repair process by a photolyase at atomic resolution. Science, 382, 2023
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7AW0
 
 | MerTK kinase domain in complex with purine inhibitor | Descriptor: | 2-(cyclopentyloxy)-9-(2,6-difluorobenzyl)-N-methyl-9H-purin-6-amine, Tyrosine-protein kinase Mer | Authors: | Schimpl, M, Nissink, J.W.M, Blackett, C, Clarke, M, Disch, J, Goldberg, K, Guilinger, J, Hennessy, E.J, Jetson, R, Ginkunja, D, Hardaker, E, Keefe, A, McCoull, W, McMurray, L, Collingwood, O, Overman, R, Pflug, A, Preston, M, Rawlins, P, Rivers, E, Smith, P, Underwood, E, Truman, C, Warwicker, J, Winter, J, Woodcock, S, Zhang, Y. | Deposit date: | 2020-11-06 | Release date: | 2021-03-03 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.893 Å) | Cite: | Generating Selective Leads for Mer Kinase Inhibitors-Example of a Comprehensive Lead-Generation Strategy. J.Med.Chem., 64, 2021
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8CEY
 
 | Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH11233. | Descriptor: | N-glycosylase/DNA lyase, NICKEL (II) ION, ~{N}-(3,3-dimethylcyclobutyl)imidazo[5,1-b][1,3]thiazole-3-carboxamide | Authors: | Kosenina, S, Scaletti, E.R, Stenmark, P. | Deposit date: | 2023-02-02 | Release date: | 2024-02-21 | Last modified: | 2025-03-12 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Virtual fragment screening for DNA repair inhibitors in vast chemical space. Nat Commun, 16, 2025
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7AW4
 
 | MerTK kinase domain with type 3 inhibitor from a DNA-encoded library | Descriptor: | 1,2-ETHANEDIOL, 3-methyl-5-(4-methyl-1,2,3-thiadiazol-5-yl)-N-((R)-1-(((R)-3-(methylamino)-3-oxo-1-(4-(trifluoromethyl)phenyl)propyl)amino)-1-oxo-4-phenylbutan-2-yl)isoxazole-4-carboxamide, CHLORIDE ION, ... | Authors: | Pflug, A, Nissink, J.W.M, Blackett, C, Goldberg, K, Hennessy, E.J, Hardaker, E, McCoull, W, McMurray, L, Collingwood, O, Overman, R, Preston, M, Rawlins, P, Rivers, E, Schimpl, M, Smith, P, Underwood, E, Truman, C, Warwicker, J, Winter, J, Woodcock, S. | Deposit date: | 2020-11-06 | Release date: | 2021-03-03 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Generating Selective Leads for Mer Kinase Inhibitors-Example of a Comprehensive Lead-Generation Strategy. J.Med.Chem., 64, 2021
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7AW1
 
 | MerTK kinase domain in complex with a type 2 inhibitor | Descriptor: | N-(6-(4-(3-(4-((5,6-dihydroimidazo[1,2-a]pyrazin-7(8H)-yl)methyl)-3-(trifluoromethyl)phenyl)ureido)phenoxy)pyrimidin-4-yl)cyclopropanecarboxamide, Tyrosine-protein kinase Mer | Authors: | Schimpl, M, Nissink, J.W.M, Blackett, C, Goldberg, K, Hennessy, E.J, Hardaker, E, McCoull, W, McMurray, L, Collingwood, O, Overman, R, Pflug, A, Preston, M, Rawlins, P, Rivers, E, Smith, P, Underwood, E, Truman, C, Warwicker, J, Winter, J, Woodcock, S. | Deposit date: | 2020-11-06 | Release date: | 2021-03-03 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Generating Selective Leads for Mer Kinase Inhibitors-Example of a Comprehensive Lead-Generation Strategy. J.Med.Chem., 64, 2021
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7AVZ
 
 | MerTK kinase domain in complex with a bisaminopyrimidine inhibitor | Descriptor: | (R)-N2-(4-(cyclopropylmethoxy)-3,5-difluorophenyl)-5-(3-methylpiperazin-1-yl)-N4-(tetrahydro-2H-pyran-4-yl)pyrimidine-2,4-diamine, Tyrosine-protein kinase Mer | Authors: | Pflug, A, Nissink, J.W.M, Blackett, C, Goldberg, K, Hennessy, E.J, Hardaker, E, McCoull, W, McMurray, L, Collingwood, O, Overman, R, Preston, M, Rawlins, P, Rivers, E, Schimpl, M, Smith, P, Underwood, E, Truman, C, Warwicker, J, Winter, J, Woodcock, S. | Deposit date: | 2020-11-06 | Release date: | 2021-03-03 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Generating Selective Leads for Mer Kinase Inhibitors-Example of a Comprehensive Lead-Generation Strategy. J.Med.Chem., 64, 2021
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7AW3
 
 | MerTK kinase domain with type 1 inhibitor from a DNA-encoded library | Descriptor: | 2-(1-((5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carboxamido)methyl)-2-azabicyclo[2.1.1]hexan-2-yl)-N-methyl-4-(trifluoromethyl)thiazole-5-carboxamide, Tyrosine-protein kinase Mer | Authors: | Schimpl, M, Nissink, J.W.M, Blackett, C, Goldberg, K, Hennessy, E.J, Hardaker, E, McCoull, W, McMurray, L, Collingwood, O, Overman, R, Pflug, A, Preston, M, Rawlins, P, Rivers, E, Smith, P, Underwood, E, Truman, C, Warwicker, J, Winter, J, Woodcock, S. | Deposit date: | 2020-11-06 | Release date: | 2021-03-03 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Generating Selective Leads for Mer Kinase Inhibitors-Example of a Comprehensive Lead-Generation Strategy. J.Med.Chem., 64, 2021
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8CEX
 
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6ZPO
 
 | bovine ATP synthase monomer state 1 (combined) | Descriptor: | 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ... | Authors: | Spikes, T.E, Montgomery, M.G, Walker, J.E. | Deposit date: | 2020-07-09 | Release date: | 2020-09-09 | Last modified: | 2025-04-09 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Structure of the dimeric ATP synthase from bovine mitochondria. Proc.Natl.Acad.Sci.USA, 117, 2020
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8CB7
 
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8CB5
 
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8CB4
 
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8CB8
 
 | The Transcriptional Regulator PrfA from Listeria Monocytogenes in complex with tetrapeptide Ser-Thr-Leu-Leu | Descriptor: | Listeriolysin regulatory protein, PHOSPHATE ION, SODIUM ION, ... | Authors: | Oelker, M, Lindgren, C, Sauer-Eriksson, A.E. | Deposit date: | 2023-01-25 | Release date: | 2024-08-07 | Last modified: | 2025-03-12 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structural basis of promiscuous inhibition of Listeria virulence activator PrfA by oligopeptides. Cell Rep, 44, 2025
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8CBG
 
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8CBP
 
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8CBI
 
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8CGT
 
 | STRUCTURE OF CYCLODEXTRIN GLYCOSYLTRANSFERASE COMPLEXED WITH A THIO-MALTOHEXAOSE | Descriptor: | CALCIUM ION, PROTEIN (CYCLODEXTRIN-GLYCOSYLTRANSFERASE), alpha-D-glucopyranose-(1-4)-4-thio-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-4-thio-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-4-thio-alpha-D-glucopyranose | Authors: | Schmidt, A.K, Schulz, G.E. | Deposit date: | 1998-09-27 | Release date: | 1998-10-14 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Substrate binding to a cyclodextrin glycosyltransferase and mutations increasing the gamma-cyclodextrin production. Eur.J.Biochem., 255, 1998
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7AVE
 
 | Perdeuterated refolded hen egg-white lysozyme at 100 K | Descriptor: | ACETATE ION, Lysozyme C, NITRATE ION | Authors: | Ramos, J, Laux, V, Haertlein, M, Erba Boeri, E, Forsyth, V.T, Larsen, S, Mossou, E, Langkilde, A.E. | Deposit date: | 2020-11-05 | Release date: | 2021-05-12 | Last modified: | 2024-11-06 | Method: | X-RAY DIFFRACTION (0.98 Å) | Cite: | Structural insights into protein folding, stability and activity using in vivo perdeuteration of hen egg-white lysozyme. Iucrj, 8, 2021
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7RDZ
 
 | SARS-CoV-2 replication-transcription complex bound to nsp13 helicase - nsp13(2)-RTC - apo class | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Helicase, MAGNESIUM ION, ... | Authors: | Chen, J, Malone, B, Campbell, E.A, Darst, S.A. | Deposit date: | 2021-07-12 | Release date: | 2021-11-24 | Last modified: | 2025-05-14 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Ensemble cryo-EM reveals conformational states of the nsp13 helicase in the SARS-CoV-2 helicase replication-transcription complex. Nat.Struct.Mol.Biol., 29, 2022
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7AVF
 
 | Triclinic hydrogenated hen egg-white lysozyme at 100 K (control) | Descriptor: | ACETATE ION, Lysozyme, NITRATE ION | Authors: | Ramos, J, Laux, V, Haertlein, M, Erba Boeri, E, Forsyth, V.T, Mossou, E, Larsen, S, Langkilde, A.E. | Deposit date: | 2020-11-05 | Release date: | 2021-05-12 | Last modified: | 2024-11-20 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Structural insights into protein folding, stability and activity using in vivo perdeuteration of hen egg-white lysozyme. Iucrj, 8, 2021
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7RE3
 
 | SARS-CoV-2 replication-transcription complex bound to nsp13 helicase - nsp13(2)-RTC dimer | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, CHAPSO, ... | Authors: | Chen, J, Malone, B, Campbell, E.A, Darst, S.A. | Deposit date: | 2021-07-12 | Release date: | 2021-11-24 | Last modified: | 2025-06-04 | Method: | ELECTRON MICROSCOPY (3.33 Å) | Cite: | Ensemble cryo-EM reveals conformational states of the nsp13 helicase in the SARS-CoV-2 helicase replication-transcription complex. Nat.Struct.Mol.Biol., 29, 2022
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7AVG
 
 | Perdeuterated hen egg-white lysozyme at 100 K | Descriptor: | ACETATE ION, Lysozyme, NITRATE ION | Authors: | Ramos, J, Laux, V, Haertlein, M, Erba Boeri, E, Forsyth, V.T, Mossou, E, Larsen, S, Langkilde, A.E. | Deposit date: | 2020-11-05 | Release date: | 2021-05-12 | Last modified: | 2024-11-13 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Structural insights into protein folding, stability and activity using in vivo perdeuteration of hen egg-white lysozyme. Iucrj, 8, 2021
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