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6LWH
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BU of 6lwh by Molmil
Crystal structure of human NEIL1(P2G, E3Q, K242) bound to duplex DNA containing dihydrothymine (DHT)
Descriptor: DNA (5'-D(*CP*GP*TP*CP*CP*AP*(TDH)P*GP*TP*CP*TP*AP*C)-3'), DNA (5'-D(*TP*AP*GP*AP*CP*CP*TP*GP*GP*AP*CP*GP*G)-3'), Endonuclease 8-like 1, ...
Authors:Liu, M.H, Zhang, J, Zhu, C.X, Zhang, X.X, Gao, Y.Q, Yi, C.Q.
Deposit date:2020-02-07
Release date:2021-06-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.78 Å)
Cite:DNA repair glycosylase hNEIL1 triages damaged bases via competing interaction modes.
Nat Commun, 12, 2021
6LWL
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BU of 6lwl by Molmil
Crystal structure of human NEIL1(R242) bound to duplex DNA containing 2'-fluoro-2'-deoxy-5,6-dihydrouridine
Descriptor: DNA (5'-D(*CP*GP*TP*CP*CP*AP*(FDU)P*GP*TP*CP*TP*AP*C)-3'), DNA (5'-D(*TP*AP*GP*AP*CP*CP*TP*GP*GP*AP*CP*GP*G)-3'), Endonuclease 8-like 1, ...
Authors:Liu, M.H, Zhang, J, Zhu, C.X, Zhang, X.X, Gao, Y.Q, Yi, C.Q.
Deposit date:2020-02-07
Release date:2021-06-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:DNA repair glycosylase hNEIL1 triages damaged bases via competing interaction modes.
Nat Commun, 12, 2021
6LWQ
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BU of 6lwq by Molmil
Crystal structure of human NEIL1(R242) bound to duplex DNA containing a C:T mismatch
Descriptor: DNA (5'-D(*CP*GP*TP*CP*CP*AP*TP*GP*TP*CP*TP*AP*C)-3'), DNA (5'-D(*TP*AP*GP*AP*CP*CP*TP*GP*GP*AP*CP*GP*G)-3'), Endonuclease 8-like 1
Authors:Liu, M.H, Zhang, J, Zhu, C.X, Zhang, X.X, Gao, Y.Q, Yi, C.Q.
Deposit date:2020-02-07
Release date:2021-06-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:DNA repair glycosylase hNEIL1 triages damaged bases via competing interaction modes.
Nat Commun, 12, 2021
6LWR
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BU of 6lwr by Molmil
Crystal structure of human NEIL1(K242) bound to duplex DNA containing a cleaved C:T mismatch
Descriptor: DNA (5'-D(*CP*GP*TP*CP*CP*(PDA))-3'), DNA (5'-D(*TP*AP*GP*AP*CP*CP*TP*GP*GP*AP*CP*GP*G)-3'), Endonuclease 8-like 1
Authors:Liu, M.H, Zhang, J, Zhu, C.X, Zhang, X.X, Gao, Y.Q, Yi, C.Q.
Deposit date:2020-02-07
Release date:2021-06-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:DNA repair glycosylase hNEIL1 triages damaged bases via competing interaction modes.
Nat Commun, 12, 2021
8J6K
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BU of 8j6k by Molmil
Crystal structure of pro-interleukin-18 and caspase-4 complex
Descriptor: Arginine ADP-riboxanase OspC3, Caspase-4 subunit p10, Caspase-4 subunit p20, ...
Authors:Sun, Q, Hou, Y.J, Ding, J.
Deposit date:2023-04-26
Release date:2023-11-29
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (3.12 Å)
Cite:Recognition and maturation of IL-18 by caspase-4 noncanonical inflammasome.
Nature, 624, 2023
5WO4
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BU of 5wo4 by Molmil
JAK1 complexed with compound 28
Descriptor: 3-[(4-chloro-3-methoxyphenyl)amino]-1-[(3R,4S)-4-cyanooxan-3-yl]-1H-pyrazole-4-carboxamide, Tyrosine-protein kinase JAK1
Authors:Lesburg, C.A, Patel, S.B.
Deposit date:2017-08-01
Release date:2017-12-06
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:The Discovery of 3-((4-Chloro-3-methoxyphenyl)amino)-1-((3R,4S)-4-cyanotetrahydro-2H-pyran-3-yl)-1H-pyrazole-4-carboxamide, a Highly Ligand Efficient and Efficacious Janus Kinase 1 Selective Inhibitor with Favorable Pharmacokinetic Properties.
J. Med. Chem., 60, 2017
7EAX
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BU of 7eax by Molmil
Crystal complex of p53-V272M and antimony ion
Descriptor: ANTIMONY (III) ION, Cellular tumor antigen p53, ZINC ION
Authors:Lu, M, Tang, Y.
Deposit date:2021-03-08
Release date:2022-02-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Repurposing antiparasitic antimonials to noncovalently rescue temperature-sensitive p53 mutations.
Cell Rep, 39, 2022
7DEG
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BU of 7deg by Molmil
Cryo-EM structure of a heme-copper terminal oxidase dimer provides insights into its catalytic mechanism
Descriptor: (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-[(2~{E},6~{E},10~{Z},14~{Z},18~{Z},23~{R})-3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18-pentaenyl]naphthalene-1,4-dione, ...
Authors:Fei, S, Hartmut, M, Yun, Z, Guoliang, Z, Shuangbo, Z.
Deposit date:2020-11-04
Release date:2021-08-04
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:The Unusual Homodimer of a Heme-Copper Terminal Oxidase Allows Itself to Utilize Two Electron Donors.
Angew.Chem.Int.Ed.Engl., 60, 2021
5YAC
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BU of 5yac by Molmil
Crystal structure of WT Trm5b from Pyrococcus abyssi
Descriptor: tRNA (guanine(37)-N1)-methyltransferase Trm5b
Authors:Xie, W, Wu, J.
Deposit date:2017-08-31
Release date:2017-09-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:The crystal structure of the Pyrococcus abyssi mono-functional methyltransferase PaTrm5b
Biochem. Biophys. Res. Commun., 493, 2017
7WZS
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BU of 7wzs by Molmil
Crystal structure of Chromobacterium violaceum effector CopC in complex with host calmodulin and caspase-7
Descriptor: Calmodulin-1, Caspase-7, CopC
Authors:Ding, J.
Deposit date:2022-02-19
Release date:2022-05-18
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Calmodulin Binding Activates Chromobacterium CopC Effector to ADP-Riboxanate Host Apoptotic Caspases.
Mbio, 13, 2022
7DN9
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BU of 7dn9 by Molmil
Crystal structure of Salmonella effector in complex with NAD and host co-factor ARF1
Descriptor: ADP-ribosylation factor 1, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Ding, J, Shao, F.
Deposit date:2020-12-09
Release date:2021-12-15
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (3.29 Å)
Cite:ARF GTPases activate Salmonella effector SopF to ADP-ribosylate host V-ATPase and inhibit endomembrane damage-induced autophagy.
Nat.Struct.Mol.Biol., 29, 2022
7DN8
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BU of 7dn8 by Molmil
Crystal structure of Salmonella effector SopF in complex with ARF1
Descriptor: ADP-ribosylation factor 1, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Ding, J, Shao, F.
Deposit date:2020-12-09
Release date:2021-12-15
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.6084 Å)
Cite:ARF GTPases activate Salmonella effector SopF to ADP-ribosylate host V-ATPase and inhibit endomembrane damage-induced autophagy.
Nat.Struct.Mol.Biol., 29, 2022
2F8B
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BU of 2f8b by Molmil
NMR structure of the C-terminal domain (dimer) of HPV45 oncoprotein E7
Descriptor: Protein E7, ZINC ION
Authors:Ohlenschlager, O, Gorlach, M.
Deposit date:2005-12-02
Release date:2006-08-08
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution structure of the partially folded high-risk human papilloma virus 45 oncoprotein E7.
Oncogene, 25, 2006
2EWL
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BU of 2ewl by Molmil
Solution structure of the C-terminal domain (monomer) of the HPV45 oncoprotein E7
Descriptor: Protein E7, ZINC ION
Authors:Ohlenschlager, O, Gorlach, M.
Deposit date:2005-11-04
Release date:2006-10-17
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Solution structure of the partially folded high-risk human papilloma virus 45 oncoprotein E7.
Oncogene, 25, 2006

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