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7R2V
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BU of 7r2v by Molmil
Structure of nsp14 from SARS-CoV-2 in complex with SAH
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, Proofreading exoribonuclease nsp14, ...
Authors:Czarna, A, Plewka, J, Kresik, L, Matsuda, A, Abdulkarim, K, Robinson, C, OByrne, S, Cunningham, F, Georgiou, I, Pachota, M, Popowicz, G.M, Wyatt, P.G, Dubin, G, Pyrc, K.
Deposit date:2022-02-06
Release date:2022-03-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:Refolding of lid subdomain of SARS-CoV-2 nsp14 upon nsp10 interaction releases exonuclease activity.
Structure, 30, 2022
4JZY
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BU of 4jzy by Molmil
Crystal structures of Drosophila Cryptochrome
Descriptor: AMMONIUM ION, Cryptochrome-1, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Czarna, A, Wolf, E.
Deposit date:2013-04-03
Release date:2013-06-26
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Structures of Drosophila cryptochrome and mouse cryptochrome1 provide insight into circadian function.
Cell(Cambridge,Mass.), 153, 2013
4K0R
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BU of 4k0r by Molmil
Crystal structure of mouse Cryptochrome 1
Descriptor: Cryptochrome-1
Authors:Czarna, A, Wolf, E.
Deposit date:2013-04-04
Release date:2013-06-26
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structures of Drosophila cryptochrome and mouse cryptochrome1 provide insight into circadian function.
Cell(Cambridge,Mass.), 153, 2013
7NT4
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BU of 7nt4 by Molmil
X-ray structure of SCoV2-PLpro in complex with small molecule inhibitor
Descriptor: 1,2-ETHANEDIOL, Non-structural protein 3, PROFLAVIN, ...
Authors:Napolitano, V, Mourao, A, Bostock, M, Matsuda, A, Czarna, A, Popowicz, G.M.
Deposit date:2021-03-09
Release date:2022-02-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:Acriflavine, a clinically approved drug, inhibits SARS-CoV-2 and other betacoronaviruses.
Cell Chem Biol, 29, 2022
2VID
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BU of 2vid by Molmil
Serine protease SplB from Staphylococcus aureus at 1.8A resolution
Descriptor: SERINE PROTEASE SPLB
Authors:Dubin, G, Stec-Niemczyk, J, Kisielewska, M, Pustelny, K, Popowicz, G.M, Bista, M, Kantyka, T, Boulware, K.T, Stennicke, H.R, Czarna, A, Phopaisarn, M, Daugherty, P.S, Thogersen, I.B, Enghild, J.J, Thornberry, N, Dubin, A, Potempa, J.
Deposit date:2007-11-30
Release date:2008-05-13
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Enzymatic Activity of the Staphylococcus Aureus Splb Serine Protease is Induced by Substrates Containing the Sequence Trp-Glu-Leu-Gln.
J.Mol.Biol., 379, 2008
7Z1G
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BU of 7z1g by Molmil
Crystal structure of nonphosphorylated (Tyr216) GSK3b in complex with CX-4945
Descriptor: 5-[(3-chlorophenyl)amino]benzo[c][2,6]naphthyridine-8-carboxylic acid, Glycogen synthase kinase-3 beta, IMIDAZOLE, ...
Authors:Grygier, P, Pustelny, K, Dubin, G, Czarna, A.
Deposit date:2022-02-24
Release date:2023-03-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Crystal structure of nonphosphorylated (Tyr216) GSK3b kinase in complex with CX-4945
To Be Published
7Z1F
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BU of 7z1f by Molmil
Crystal structure of GSK3b in complex with CX-4945
Descriptor: 5-[(3-chlorophenyl)amino]benzo[c][2,6]naphthyridine-8-carboxylic acid, Glycogen synthase kinase-3 beta, IMIDAZOLE, ...
Authors:Grygier, P, Pustelny, K, Dubin, G, Czarna, A.
Deposit date:2022-02-24
Release date:2023-03-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal structure of phosphorylated (Tyr216) GSK3b kinase in complex with CX-4945
To Be Published
7Z5N
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BU of 7z5n by Molmil
Crystal structure of DYRK1A in complex with CX-4945
Descriptor: 1,2-ETHANEDIOL, 5-[(3-chlorophenyl)amino]benzo[c][2,6]naphthyridine-8-carboxylic acid, DI(HYDROXYETHYL)ETHER, ...
Authors:Pustelny, K, Grygier, P, Golik, P, Dubin, G, Czarna, A.
Deposit date:2022-03-09
Release date:2023-03-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.77 Å)
Cite:Crystal structure DYRK1A in complex with CX-4945
To Be Published
2Z5S
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BU of 2z5s by Molmil
Molecular basis for the inhibition of p53 by Mdmx
Descriptor: Cellular tumor antigen p53, Mdm4 protein
Authors:Popowicz, G.M, Czarna, A, Rothweiler, U, Szwagierczak, A, Holak, T.A.
Deposit date:2007-07-17
Release date:2007-11-06
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Molecular basis for the inhibition of p53 by Mdmx.
Cell Cycle, 6, 2007
2Z5T
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BU of 2z5t by Molmil
Molecular basis for the inhibition of p53 by Mdmx
Descriptor: Cellular tumor antigen p53, Mdm4 protein
Authors:Popowicz, G.M, Czarna, A, Rothweiler, U, Szwagierczak, A, Holak, T.A.
Deposit date:2007-07-17
Release date:2007-11-06
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Molecular basis for the inhibition of p53 by Mdmx.
Cell Cycle, 6, 2007
8C2Z
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BU of 8c2z by Molmil
Crystal structure of DYRK1B in complex with AZ191
Descriptor: Dual specificity tyrosine-phosphorylation-regulated kinase 1B, MANGANESE (II) ION, N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-4-(1-methylpyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-amine
Authors:Grygier, P, Pustelny, K, Dubin, G, Czarna, A.
Deposit date:2022-12-23
Release date:2024-01-17
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Structural perspective on the design of selective DYRK1B inhibitors
To Be Published
8C3R
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BU of 8c3r by Molmil
Crystal structure of DYRK1A in complex with gossypin
Descriptor: ACETATE ION, Dual specificity tyrosine-phosphorylation-regulated kinase 1A, Gossypin
Authors:Grygier, P, Pustelny, K, Dubin, G, Czarna, A.
Deposit date:2022-12-28
Release date:2024-01-10
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Crystal structure of DYRK1A in complex with gossypin
To Be Published
8C3Q
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BU of 8c3q by Molmil
Crystal structure of DYRK1A in complex with rutin
Descriptor: Dual specificity tyrosine-phosphorylation-regulated kinase 1A, RUTIN
Authors:Grygier, P, Pustelny, K, Dubin, G, Czarna, A.
Deposit date:2022-12-28
Release date:2024-01-10
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Crystal structure of DYRK1A in complex with rutin
To Be Published
8C3G
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BU of 8c3g by Molmil
Crystal structure of DYRK1A in complex with AZ191
Descriptor: 1,2-ETHANEDIOL, Dual specificity tyrosine-phosphorylation-regulated kinase 1A, N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-4-(1-methylpyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-amine, ...
Authors:Grygier, P, Pustelny, K, Dubin, G, Czarna, A.
Deposit date:2022-12-23
Release date:2024-01-10
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Structural perspective on the design of selective DYRK1B inhibitors
To Be Published
3LBL
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BU of 3lbl by Molmil
Structure of human MDM2 protein in complex with Mi-63-analog
Descriptor: (2'R,3R,4'R,5'R)-6-chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-N-(2-morpholin-4-ylethyl)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxamide, E3 ubiquitin-protein ligase Mdm2
Authors:Popowicz, G.M, Czarna, A, Wolf, S, Holak, T.A.
Deposit date:2010-01-08
Release date:2010-03-16
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structures of low molecular weight inhibitors bound to MDMX and MDM2 reveal new approaches for p53-MDMX/MDM2 antagonist drug discovery
Cell Cycle, 9, 2010
3LBK
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BU of 3lbk by Molmil
Structure of human MDM2 protein in complex with a small molecule inhibitor
Descriptor: 6-chloro-3-[1-(4-chlorobenzyl)-4-phenyl-1H-imidazol-5-yl]-1H-indole-2-carboxylic acid, E3 ubiquitin-protein ligase Mdm2, SULFATE ION
Authors:Popowicz, G.M, Czarna, A, Wolf, S, Holak, T.A.
Deposit date:2010-01-08
Release date:2010-03-16
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structures of low molecular weight inhibitors bound to MDMX and MDM2 reveal new approaches for p53-MDMX/MDM2 antagonist drug discovery
Cell Cycle, 9, 2010
3LBJ
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BU of 3lbj by Molmil
Structure of human MDMX protein in complex with a small molecule inhibitor
Descriptor: N-[(3S)-1-({6-chloro-3-[1-(4-chlorobenzyl)-4-phenyl-1H-imidazol-5-yl]-1H-indol-2-yl}carbonyl)pyrrolidin-3-yl]-N,N',N'-trimethylpropane-1,3-diamine, Protein Mdm4, SULFATE ION
Authors:Popowicz, G.M, Czarna, A, Wolf, S, Holak, T.A.
Deposit date:2010-01-08
Release date:2010-03-16
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structures of low molecular weight inhibitors bound to MDMX and MDM2 reveal new approaches for p53-MDMX/MDM2 antagonist drug discovery
Cell Cycle, 9, 2010
4K1T
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BU of 4k1t by Molmil
Gly-Ser-SplB protease from Staphylococcus aureus at 1.60 A resolution
Descriptor: CHLORIDE ION, SULFATE ION, Serine protease SplB, ...
Authors:Zdzalik, M, Pustelny, K, Stec-Niemczyk, J, Cichon, P, Czarna, A, Popowicz, G, Drag, M, Wladyka, B, Potempa, J, Dubin, A, Dubin, G.
Deposit date:2013-04-05
Release date:2014-04-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Staphylococcal SplB Serine Protease Utilizes a Novel Molecular Mechanism of Activation.
J.Biol.Chem., 289, 2014
4K1S
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BU of 4k1s by Molmil
Gly-Ser-SplB protease from Staphylococcus aureus at 1.96 A resolution
Descriptor: Serine protease SplB
Authors:Zdzalik, M, Pustelny, K, Stec-Niemczyk, J, Cichon, P, Czarna, A, Popowicz, G, Drag, M, Wladyka, B, Potempa, J, Dubin, A, Dubin, G.
Deposit date:2013-04-05
Release date:2014-04-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Staphylococcal SplB Serine Protease Utilizes a Novel Molecular Mechanism of Activation.
J.Biol.Chem., 289, 2014
9EPL
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BU of 9epl by Molmil
Mpro from SARS-CoV-2 with 298Q mutation
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, Non-structural protein 11, ...
Authors:Plewka, J, Lis, K, Czarna, A, Pyrc, K, Kantyka, T, Chykunova, Y.
Deposit date:2024-03-18
Release date:2024-04-17
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:SARS-CoV-2 M pro oligomerization as a potential target for therapy.
Int.J.Biol.Macromol., 2024
9EPM
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BU of 9epm by Molmil
Mpro from SARS-CoV-2 with 4A mutation
Descriptor: Non-structural protein 11
Authors:Plewka, J, Lis, K, Czarna, A, Pyrc, K, Kantyka, T, Chykunova, Y.
Deposit date:2024-03-19
Release date:2024-04-17
Method:X-RAY DIFFRACTION (1.981 Å)
Cite:SARS-CoV-2 M pro oligomerization as a potential target for therapy.
Int.J.Biol.Macromol., 2024
9EUR
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BU of 9eur by Molmil
Mpro WT from SARS-CoV-2 with 298Q mutation
Descriptor: Replicase polyprotein 1a
Authors:Plewka, J, Lis, K, Czarna, A, Pyrc, K, Kantyka, T, Chykunova, Y.
Deposit date:2024-03-28
Release date:2024-04-17
Method:X-RAY DIFFRACTION (2.113 Å)
Cite:SARS-CoV-2 M pro oligomerization as a potential target for therapy.
Int.J.Biol.Macromol., 2024
9EUS
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BU of 9eus by Molmil
Mpro from SARS-CoV-2 with R298A mutation
Descriptor: GLYCEROL, Replicase polyprotein 1a
Authors:Plewka, J, Lis, K, Czarna, A, Pyrc, K, Kantyka, T, Chykunova, Y.
Deposit date:2024-03-28
Release date:2024-04-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:SARS-CoV-2 M pro oligomerization as a potential target for therapy.
Int.J.Biol.Macromol., 2024
9EWN
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BU of 9ewn by Molmil
Mpro from SARS-CoV-2 with 4Q mutation
Descriptor: Non-structural protein 11
Authors:Plewka, J, Lis, K, Czarna, A, Kantyka, T, Pyrc, K.
Deposit date:2024-04-04
Release date:2024-04-17
Method:X-RAY DIFFRACTION (2.113 Å)
Cite:SARS-CoV-2 M pro oligomerization as a potential target for therapy.
Int.J.Biol.Macromol., 2024
9EWO
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BU of 9ewo by Molmil
Mpro from SARS-CoV-2 with R4A R298A double mutations
Descriptor: Non-structural protein 11, SULFATE ION
Authors:Plewka, J, Lis, K, Chykunova, Y, Czarna, A, Kantyka, T, Pyrc, K.
Deposit date:2024-04-04
Release date:2024-04-17
Method:X-RAY DIFFRACTION (3.002 Å)
Cite:SARS-CoV-2 M pro oligomerization as a potential target for therapy.
Int.J.Biol.Macromol., 2024

 

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