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7ED5
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BU of 7ed5 by Molmil
A dual mechanism of action of AT-527 against SARS-CoV-2 polymerase
Descriptor: MAGNESIUM ION, Non-structural protein 7, Non-structural protein 8, ...
Authors:Shannon, A, Fattorini, V, Sama, B, Selisko, B, Feracci, M, Falcou, C, Gauffre, P, El Kazzi, P, Delpal, A, Decroly, E, Alvarez, K, Eydoux, C, Guillemot, J.-C, Moussa, A, Good, S, Colla, P, Lin, K, Sommadossi, J.-P, Zhu, Y.X, Yan, X.D, Shi, H, Ferron, F, Canard, B.
Deposit date:2021-03-15
Release date:2022-02-16
Last modified:2024-04-10
Method:ELECTRON MICROSCOPY (2.98 Å)
Cite:A dual mechanism of action of AT-527 against SARS-CoV-2 polymerase.
Nat Commun, 13, 2022
3RTP
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BU of 3rtp by Molmil
Design and synthesis of brain penetrant selective JNK inhibitors with improved pharmacokinetic properties for the prevention of neurodegeneration
Descriptor: Mitogen-activated protein kinase 10, N-[4-cyano-3-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-(2-oxo-3,4-dihydroquinolin-1(2H)-yl)acetamide
Authors:Bowers, S, Truong, A.P, Neitz, R.J, Hom, R.K, Sealy, J.M, Probst, G.D, Quincy, Q, Peterson, B, Chan, W, Galemmo Jr, R.A, Konradi, A.W, Sham, H.L, Pan, H, Lin, M, Yao, N, Artis, D.R, Zhang, H, Chen, L, Dryer, M, Samant, B, Zmolek, W, Wong, K, Lorentzen, C, Goldbach, E, Tonn, G, Quinn, K.P, Sauer, J, Wright, S, Powell, K, Ruslim, L, Ren, Z, Bard, F, Yednock, T.A, Griswold-Prenne, I.
Deposit date:2011-05-03
Release date:2013-05-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Design and synthesis of brain penetrant selective JNK inhibitors with improved pharmacokinetic properties for the prevention of neurodegeneration.
Bioorg.Med.Chem.Lett., 21, 2011
1EMR
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BU of 1emr by Molmil
CRYSTAL STRUCTURE OF HUMAN LEUKEMIA INHIBITORY FACTOR (LIF)
Descriptor: LEUKEMIA INHIBITORY FACTOR
Authors:Robinson, R.C, Heath, J.K, Hawkins, N, Samal, B, Jones, E.Y, Betzel, C.
Deposit date:2000-03-17
Release date:2001-03-21
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Species Variation in Receptor Binding Site Revealed by the Medium Resolution X-ray Structure of Human Leukemia Inhibitory Factor
to be published
7Z05
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BU of 7z05 by Molmil
White Bream virus N7-Methyltransferase
Descriptor: DI(HYDROXYETHYL)ETHER, Non-structural protein 1, S-ADENOSYL-L-HOMOCYSTEINE, ...
Authors:Shannon, A, Gauffre, P, Canard, B, Ferron, F.
Deposit date:2022-02-22
Release date:2022-09-28
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:A second type of N7-guanine RNA cap methyltransferase in an unusual locus of a large RNA virus genome.
Nucleic Acids Res., 50, 2022
7Z2J
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BU of 7z2j by Molmil
White Bream virus N7-Methyltransferase
Descriptor: Non-structural protein 1, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Shannon, A, Gauffre, P, Canard, B, Ferron, F.
Deposit date:2022-02-28
Release date:2022-11-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.657 Å)
Cite:A second type of N7-guanine RNA cap methyltransferase in an unusual locus of a large RNA virus genome.
Nucleic Acids Res., 50, 2022
4NPV
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BU of 4npv by Molmil
Crystal structure of human PDE1B bound to inhibitor 7A (6,7,8-trimethoxy-N-(pentan-3-yl)quinazolin-4-amine)
Descriptor: 6,7,8-trimethoxy-N-(pentan-3-yl)quinazolin-4-amine, Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B, MAGNESIUM ION, ...
Authors:Pandit, J, Evdomikov, A, Mansour, M, Simons, S.
Deposit date:2013-11-22
Release date:2014-07-16
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Small-molecule phosphodiesterase probes: discovery of potent and selective CNS-penetrable quinazoline inhibitors of PDE1
MEDCHEMCOMM, 2014
4NPW
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BU of 4npw by Molmil
Crystal structure of human PDE1B bound to inhibitor 19A (7,8-dimethoxy-N-[(2S)-1-(3-methyl-1H-pyrazol-5-yl)propan-2-yl]quinazolin-4-amine)
Descriptor: 7,8-dimethoxy-N-[(2S)-1-(3-methyl-1H-pyrazol-5-yl)propan-2-yl]quinazolin-4-amine, Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B, MAGNESIUM ION, ...
Authors:Pandit, J, Evdomikov, A, Mansour, M, Simons, S.
Deposit date:2013-11-22
Release date:2014-07-16
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Small-molecule phosphodiesterase probes: discovery of potent and selective CNS-penetrable quinazoline inhibitors of PDE1
MEDCHEMCOMM, 2014
4Q44
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BU of 4q44 by Molmil
Polymerase-Damaged DNA Complex
Descriptor: 5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]thymidine, DNA (5'-D(*TP*CP*TP*AP*(RDG)P*GP*GP*TP*CP*CP*TP*AP*GP*GP*AP*CP*CP*C)-3'), DNA polymerase IV, ...
Authors:Nair, D.T, Kottur, J, Sharma, A.
Deposit date:2014-04-13
Release date:2015-05-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:Unique structural features in DNA polymerase IV enable efficient bypass of the N2 adduct induced by the nitrofurazone antibiotic
Structure, 23, 2015
4Q43
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BU of 4q43 by Molmil
Polymerase-damaged DNA complex
Descriptor: 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]cytidine, DNA (5'-D(*T*CP*TP*AP*GP*GP*GP*TP*CP*CP*TP*AP*GP*GP*AP*CP*CP*C)-3'), DNA (5'-D(*TP*CP*TP*(RDG)P*GP*GP*GP*TP*CP*CP*TP*AP*GP*GP*AP*CP*CP*C)-3'), ...
Authors:Kottur, J, Sharma, A, Nair, D.T.
Deposit date:2014-04-13
Release date:2015-05-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Unique structural features in DNA polymerase IV enable efficient bypass of the N2 adduct induced by the nitrofurazone antibiotic
Structure, 23, 2015
4Q45
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BU of 4q45 by Molmil
DNA Polymerase- damaged DNA complex
Descriptor: 5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]thymidine, DNA (5'-D(*TP*CP*TP*A*GP*GP*GP*TP*CP*CP*TP*AP*GP*GP*AP*CP*CP*C)-3'), DNA (5'-D(*TP*CP*TP*AP*GP*GP*(RDG)P*TP*CP*CP*TP*AP*GP*GP*AP*CP*CP*C)-3'), ...
Authors:Kottur, J, Sharma, A, Nair, D.T.
Deposit date:2014-04-13
Release date:2015-05-06
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.176 Å)
Cite:Unique structural features in DNA polymerase IV enable efficient bypass of the N2 adduct induced by the nitrofurazone antibiotic
Structure, 23, 2015
1DLA
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BU of 1dla by Molmil
NOVEL NADPH-BINDING DOMAIN REVEALED BY THE CRYSTAL STRUCTURE OF ALDOSE REDUCTASE
Descriptor: ALDOSE REDUCTASE
Authors:Rondeau, J.-M, Tete-Favier, F, Podjarny, A, Reymann, J.-M, Barth, P, Biellmann, J.-F, Moras, D.
Deposit date:1993-02-08
Release date:1994-04-30
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (3 Å)
Cite:Novel NADPH-binding domain revealed by the crystal structure of aldose reductase.
Nature, 355, 1992

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PDB entries from 2024-08-28

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