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4Y5U
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BU of 4y5u by Molmil
Transcription factor
Descriptor: NICKEL (II) ION, Signal transducer and activator of transcription 6
Authors:Li, J, Niu, F, Ouyang, S, Liu, Z.
Deposit date:2015-02-12
Release date:2016-02-17
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.708 Å)
Cite:Structural basis for DNA recognition by STAT6
Proc.Natl.Acad.Sci.USA, 113, 2016
4Y5W
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BU of 4y5w by Molmil
Transcription factor-DNA complex
Descriptor: DNA (5'-D(P*AP*TP*GP*GP*AP*TP*TP*TP*CP*CP*TP*AP*GP*GP*AP*AP*GP*AP*CP*AP*A)-3'), DNA (5'-D(P*TP*TP*GP*TP*CP*TP*TP*CP*CP*TP*AP*GP*GP*AP*AP*AP*TP*CP*CP*AP*T)-3'), Signal transducer and activator of transcription 6
Authors:Li, J, Niu, F, Ouyang, S, Liu, Z.
Deposit date:2015-02-12
Release date:2016-02-17
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3.104 Å)
Cite:Structural basis for DNA recognition by STAT6
Proc.Natl.Acad.Sci.USA, 113, 2016
8K4H
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BU of 8k4h by Molmil
Crystal structure of PDE4D complexed with benzbromarone
Descriptor: 1,2-ETHANEDIOL, MAGNESIUM ION, ZINC ION, ...
Authors:Liu, J.Y, Li, M.J, Xu, Y.C.
Deposit date:2023-07-18
Release date:2023-11-22
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Drug repurposing and structure-based discovery of new PDE4 and PDE5 inhibitors.
Eur.J.Med.Chem., 262, 2023
8K4C
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BU of 8k4c by Molmil
Crystal structure of PDE4D complexed with ethaverine hydrochloride
Descriptor: 1,2-ETHANEDIOL, 1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxy-isoquinoline, MAGNESIUM ION, ...
Authors:Liu, J.Y, Li, M.J, Xu, Y.C.
Deposit date:2023-07-17
Release date:2023-11-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Drug repurposing and structure-based discovery of new PDE4 and PDE5 inhibitors.
Eur.J.Med.Chem., 262, 2023
5D39
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BU of 5d39 by Molmil
Transcription factor-DNA complex
Descriptor: DNA (5'-D(P*AP*TP*GP*GP*AP*TP*TP*TP*CP*CP*TP*GP*GP*AP*AP*GP*AP*CP*AP*GP*A)-3'), DNA (5'-D(P*TP*CP*TP*GP*TP*CP*TP*TP*CP*CP*AP*GP*GP*AP*AP*AP*TP*CP*CP*AP*T)-3'), Signal transducer and activator of transcription 6
Authors:Li, J, Niu, F, Ouyang, S, Liu, Z.
Deposit date:2015-08-06
Release date:2016-08-10
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural basis for DNA recognition by STAT6
Proc.Natl.Acad.Sci.USA, 113, 2016
8IQC
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BU of 8iqc by Molmil
Crystal structure of AsfvPrimPol N-terminal Prim/Pol domain in complex with Mn2+
Descriptor: MANGANESE (II) ION, Putative primase C962R
Authors:Shao, Z.W, Gan, J.H.
Deposit date:2023-03-16
Release date:2023-07-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structures and implications of the C962R protein of African swine fever virus.
Nucleic Acids Res., 51, 2023
8IQI
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BU of 8iqi by Molmil
Structure of Full-Length AsfvPrimPol in Complex-Form
Descriptor: DNA (32-MER), MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Shao, Z.W, Su, S.C, Gan, J.H.
Deposit date:2023-03-16
Release date:2023-07-26
Last modified:2023-11-29
Method:ELECTRON MICROSCOPY (3.32 Å)
Cite:Structures and implications of the C962R protein of African swine fever virus.
Nucleic Acids Res., 51, 2023
8IQH
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BU of 8iqh by Molmil
Structure of Full-Length AsfvPrimPol in Apo-Form
Descriptor: Putative primase C962R
Authors:Shao, Z.W, Su, S.C, Gan, J.H.
Deposit date:2023-03-16
Release date:2023-07-26
Last modified:2023-11-29
Method:ELECTRON MICROSCOPY (3.67 Å)
Cite:Structures and implications of the C962R protein of African swine fever virus.
Nucleic Acids Res., 51, 2023
8IQB
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BU of 8iqb by Molmil
Crystal structure of AsfvPrimPol N-terminal Prim/Pol domain
Descriptor: Putative primase C962R
Authors:Shao, Z.W, Gan, J.H.
Deposit date:2023-03-16
Release date:2023-07-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:Structures and implications of the C962R protein of African swine fever virus.
Nucleic Acids Res., 51, 2023
8IQD
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BU of 8iqd by Molmil
Crystal structure of AsfvPrimPol N-terminal Prim/Pol domain in complex with Mn2+ and dCTP
Descriptor: 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, MANGANESE (II) ION, Putative primase C962R
Authors:Shao, Z.W, Gan, J.H.
Deposit date:2023-03-16
Release date:2023-07-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Structures and implications of the C962R protein of African swine fever virus.
Nucleic Acids Res., 51, 2023
8GZJ
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BU of 8gzj by Molmil
Crystal structure of Cd2+-bound DNA aptamer
Descriptor: 25-mer DNA, BARIUM ION, CADMIUM ION
Authors:Gan, J.H, Liu, H.H, Gao, Y.Q.
Deposit date:2022-09-27
Release date:2023-08-09
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.093 Å)
Cite:Crystal structures and identification of novel Cd2+-specific DNA aptamer.
Nucleic Acids Res., 51, 2023
8GZL
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BU of 8gzl by Molmil
Crystal structure of Cd2+-bound DNA aptamer
Descriptor: 25-mer DNA, BARIUM ION, CADMIUM ION
Authors:Gan, J.H, Liu, H.H, Gao, Y.Q.
Deposit date:2022-09-27
Release date:2023-08-09
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal structures and identification of novel Cd2+-specific DNA aptamer.
Nucleic Acids Res., 51, 2023
8GZM
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BU of 8gzm by Molmil
Crystal structure of Cd2+-bound DNA aptamer T22C mutant
Descriptor: 25-mer DNA, BARIUM ION, CADMIUM ION
Authors:Gan, J.H, Liu, H.H, Gao, Y.Q.
Deposit date:2022-09-27
Release date:2023-08-09
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Crystal structures and identification of novel Cd2+-specific DNA aptamer.
Nucleic Acids Res., 51, 2023
8GZK
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BU of 8gzk by Molmil
Crystal structure of Cd2+-bound DNA aptamer T10A mutant
Descriptor: 25-mer DNA, BARIUM ION, CADMIUM ION
Authors:Gan, J.H, Liu, H.H, Gao, Y.Q.
Deposit date:2022-09-27
Release date:2023-08-09
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.94 Å)
Cite:Crystal structures and identification of novel Cd2+-specific DNA aptamer.
Nucleic Acids Res., 51, 2023
8W4Q
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BU of 8w4q by Molmil
Crystal structure of PDE4D complexed with CX-4945
Descriptor: 1,2-ETHANEDIOL, 5-[(3-chlorophenyl)amino]benzo[c][2,6]naphthyridine-8-carboxylic acid, MAGNESIUM ION, ...
Authors:Liu, J.Y, Li, M.J, Xu, Y.C.
Deposit date:2023-08-24
Release date:2023-11-22
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Drug repurposing and structure-based discovery of new PDE4 and PDE5 inhibitors.
Eur.J.Med.Chem., 262, 2023
8W4S
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BU of 8w4s by Molmil
Crystal structure of PDE5A in complex with CVT-313
Descriptor: 2,2'-{[6-{[(4-methoxyphenyl)methyl]amino}-9-(propan-2-yl)-9H-purin-2-yl]azanediyl}di(ethan-1-ol), MAGNESIUM ION, ZINC ION, ...
Authors:Liu, J.Y, Li, M.J, Xu, Y.C.
Deposit date:2023-08-24
Release date:2023-11-22
Method:X-RAY DIFFRACTION (1.848 Å)
Cite:Drug repurposing and structure-based discovery of new PDE4 and PDE5 inhibitors.
Eur.J.Med.Chem., 262, 2023
8W4R
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BU of 8w4r by Molmil
Crystal structure of PDE4D complexed with CVT-313
Descriptor: 1,2-ETHANEDIOL, 2,2'-{[6-{[(4-methoxyphenyl)methyl]amino}-9-(propan-2-yl)-9H-purin-2-yl]azanediyl}di(ethan-1-ol), MAGNESIUM ION, ...
Authors:Liu, J.Y, Li, M.J, Xu, Y.C.
Deposit date:2023-08-24
Release date:2023-11-22
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:Drug repurposing and structure-based discovery of new PDE4 and PDE5 inhibitors.
Eur.J.Med.Chem., 262, 2023
8W4T
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BU of 8w4t by Molmil
Crystal structure of PDE5A in complex with a novel inhibitor
Descriptor: 2-[bis(2-hydroxyethyl)amino]-6-[(4-methoxyphenyl)methylamino]-9-propan-2-yl-7~{H}-purin-8-one, MAGNESIUM ION, ZINC ION, ...
Authors:Liu, J.Y, Li, M.J, Xu, Y.C.
Deposit date:2023-08-24
Release date:2023-11-22
Method:X-RAY DIFFRACTION (2.199 Å)
Cite:Drug repurposing and structure-based discovery of new PDE4 and PDE5 inhibitors.
Eur.J.Med.Chem., 262, 2023
8WE3
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BU of 8we3 by Molmil
Crystal structure of human FABP4 complexed with C7
Descriptor: 2-[(3-chloranyl-2-phenyl-phenyl)amino]-5-fluoranyl-benzoic acid, Fatty acid-binding protein, adipocyte
Authors:Xie, H, Chen, G.F, Xu, Y.C, Li, M.J.
Deposit date:2023-09-16
Release date:2023-12-27
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Structure-based design of potent FABP4 inhibitors with high selectivity against FABP3.
Eur.J.Med.Chem., 264, 2023
8WDX
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BU of 8wdx by Molmil
Crystal structure of human FABP4 complexed with C3
Descriptor: 1,2-ETHANEDIOL, 2-[(3-chloranyl-2-phenyl-phenyl)amino]-6-methyl-benzoic acid, Fatty acid-binding protein, ...
Authors:Xie, H, Chen, G.F, Xu, Y.C.
Deposit date:2023-09-16
Release date:2023-12-27
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structure-based design of potent FABP4 inhibitors with high selectivity against FABP3.
Eur.J.Med.Chem., 264, 2023
7VVT
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BU of 7vvt by Molmil
SARS-CoV-2 3CL protease (3CLpro) in complex with a covalent inhibitor
Descriptor: 3C-like proteinase, N-(3-chlorophenyl)-2-[(2R)-1-ethanoyl-3-oxidanylidene-piperazin-2-yl]ethanamide
Authors:Su, H, Nie, T, Li, M, Xu, Y.
Deposit date:2021-11-08
Release date:2022-03-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:In silico screening-based discovery of novel covalent inhibitors of the SARS-CoV-2 3CL protease.
Eur.J.Med.Chem., 231, 2022
7E8O
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BU of 7e8o by Molmil
Crystal structure of proteinaceous RNase P(PRORP) from Planctomycetes bacterium GWF2_40_8 complexed with Escherichia coli histidine pre-tRNA
Descriptor: CALCIUM ION, RNA-free ribonuclease P, histidine pre-tRNA
Authors:Li, Y.Y, Gan, J.H.
Deposit date:2021-03-02
Release date:2022-03-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.804 Å)
Cite:Crystal structures and insights into precursor tRNA 5'-end processing by prokaryotic minimal protein-only RNase P.
Nat Commun, 13, 2022
7E8K
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BU of 7e8k by Molmil
Crystal structure of Proteinaceous RNase P (PRORP) from Planctomycetes bacterium GWF2_40_8
Descriptor: RNA-free ribonuclease P, SULFATE ION
Authors:Li, Y.Y, Gan, J.H.
Deposit date:2021-03-02
Release date:2022-03-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Crystal structures and insights into precursor tRNA 5'-end processing by prokaryotic minimal protein-only RNase P.
Nat Commun, 13, 2022
7E8J
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BU of 7e8j by Molmil
Crystal structure of Proteinaceous RNase P (PRORP) from Thermococcus celer
Descriptor: RNA-free ribonuclease P
Authors:Li, Y.Y, Gan, J.H.
Deposit date:2021-03-02
Release date:2022-03-02
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structures and insights into precursor tRNA 5'-end processing by prokaryotic minimal protein-only RNase P.
Nat Commun, 13, 2022
7D32
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BU of 7d32 by Molmil
The TBA-Pb2+ complex in P41212 space group
Descriptor: DNA (5'-D(*GP*GP*TP*TP*GP*GP*TP*GP*TP*GP*GP*TP*TP*GP*G)-3'), LEAD (II) ION
Authors:Liu, H.H, Gao, Y.Q, Sheng, J, Gan, J.H.
Deposit date:2020-09-18
Release date:2021-09-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.707 Å)
Cite:Structure-guided development of Pb 2+ -binding DNA aptamers.
Sci Rep, 12, 2022

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