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PDB: 43087 results

7QJS
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BU of 7qjs by Molmil
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
7AVY
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BU of 7avy by Molmil
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
7AW2
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BU of 7aw2 by Molmil
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
8KCM
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BU of 8kcm by Molmil
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
7AW0
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BU of 7aw0 by Molmil
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
8CEY
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BU of 8cey by Molmil
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
7AW4
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BU of 7aw4 by Molmil
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
7AW1
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BU of 7aw1 by Molmil
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
7AVZ
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BU of 7avz by Molmil
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
7AW3
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BU of 7aw3 by Molmil
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
8CEX
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BU of 8cex by Molmil
Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH11227.
Descriptor: 6-fluoranyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide, N-glycosylase/DNA lyase, NICKEL (II) ION
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 (2.3 Å)
Cite:Virtual fragment screening for DNA repair inhibitors in vast chemical space.
Nat Commun, 16, 2025
6ZPO
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BU of 6zpo by Molmil
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
8CB7
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BU of 8cb7 by Molmil
The Transcriptional Regulator PrfA from Listeria Monocytogenes in complex with tetrapeptide Glu-Val-Phe-Leu
Descriptor: Listeriolysin regulatory protein, tetrapeptide GLU-VAL-PHE-LEU
Authors:Oelker, M, Sauer-Eriksson, A.E.
Deposit date:2023-01-25
Release date:2024-08-07
Last modified:2025-03-12
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Structural basis of promiscuous inhibition of Listeria virulence activator PrfA by oligopeptides.
Cell Rep, 44, 2025
8CB5
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BU of 8cb5 by Molmil
The Transcriptional Regulator PrfA from Listeria Monocytogenes in complex with tripeptide Glu-Val-Phe
Descriptor: ISOPROPYL ALCOHOL, Listeriolysin regulatory protein, SODIUM ION, ...
Authors:Oelker, M, 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
8CB4
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BU of 8cb4 by Molmil
The Transcriptional Regulator PrfA from Listeria Monocytogenes in complex with tripeptide Leu-Leu-Leu
Descriptor: Listeriolysin regulatory protein, SODIUM ION, tripeptide LEU-LEU-LEU
Authors:Oelker, M, Sauer-Eriksson, A.E.
Deposit date:2023-01-25
Release date:2024-08-07
Last modified:2025-03-12
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:Structural basis of promiscuous inhibition of Listeria virulence activator PrfA by oligopeptides.
Cell Rep, 44, 2025
8CB8
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BU of 8cb8 by Molmil
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
8CBG
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BU of 8cbg by Molmil
The Transcriptional Regulator PrfA from Listeria Monocytogenes in complex with tetrapeptide Arg-Gly-Leu-Leu
Descriptor: Listeriolysin regulatory protein, peptide ARG-GLY-LEU-LEU
Authors:Oelker, M, Sauer-Eriksson, A.E.
Deposit date:2023-01-25
Release date:2024-08-07
Last modified:2025-03-12
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural basis of promiscuous inhibition of Listeria virulence activator PrfA by oligopeptides.
Cell Rep, 44, 2025
8CBP
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BU of 8cbp by Molmil
The Transcriptional Regulator PrfA from Listeria Monocytogenes in complex with tetrapeptide Thr-Glu-Pro-Leu
Descriptor: Listeriolysin regulatory protein, peptide THR-GLU-PRO-LEU
Authors:Hainzl, T, Oelker, M, Sauer-Eriksson, A.E.
Deposit date:2023-01-25
Release date:2024-08-07
Last modified:2025-03-12
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural basis of promiscuous inhibition of Listeria virulence activator PrfA by oligopeptides.
Cell Rep, 44, 2025
8CBI
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BU of 8cbi by Molmil
The Transcriptional Regulator PrfA from Listeria Monocytogenes in complex with tetrapeptide Thr-Lys-Pro-Arg
Descriptor: Listeriolysin regulatory protein, SODIUM ION, peptide Thr-Lys-PRO-ARG
Authors:Oelker, M, Sauer-Eriksson, A.E.
Deposit date:2023-01-25
Release date:2024-08-07
Last modified:2025-03-12
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural basis of promiscuous inhibition of Listeria virulence activator PrfA by oligopeptides.
Cell Rep, 44, 2025
8CGT
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BU of 8cgt by Molmil
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
7AVE
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BU of 7ave by Molmil
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
7RDZ
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BU of 7rdz by Molmil
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
7AVF
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BU of 7avf by Molmil
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
7RE3
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BU of 7re3 by Molmil
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
7AVG
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BU of 7avg by Molmil
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

238582

数据于2025-07-09公开中

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