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6FXN
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BU of 6fxn by Molmil
Crystal structure of human BAFF in complex with Fab fragment of anti-BAFF antibody belimumab
分子名称: Tumor necrosis factor ligand superfamily member 13B, belimumab heavy chain, belimumab light chain
著者Lammens, A, Maskos, K, Willen, L, Jiang, X, Schneider, P.
登録日2018-03-09
公開日2018-04-04
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献A loop region of BAFF controls B cell survival and regulates recognition by different inhibitors.
Nat Commun, 9, 2018
8ROZ
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BU of 8roz by Molmil
Cryo-EM structure of CDK2-cyclin A in complex with CDC25A
分子名称: Cyclin-A2, Cyclin-dependent kinase 2, M-phase inducer phosphatase 1
著者Rowland, R.J, Noble, M.E.M, Endicott, J.A.
登録日2024-01-12
公開日2024-05-29
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Cryo-EM structure of the CDK2-cyclin A-CDC25A Complex
To Be Published
6WLC
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BU of 6wlc by Molmil
Crystal Structure of NSP15 Endoribonuclease from SARS CoV-2 in the Complex with Uridine-5'-Monophosphate
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, ...
著者Kim, Y, Maltseva, N, Jedrzejczak, R, Endres, M, Chang, C, Godzik, A, Michalska, K, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2020-04-19
公開日2020-04-29
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Tipiracil binds to uridine site and inhibits Nsp15 endoribonuclease NendoU from SARS-CoV-2.
Commun Biol, 4, 2021
2GA6
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BU of 2ga6 by Molmil
The crystal structure of SARS nsp10 without zinc ion as additive
分子名称: ZINC ION, orf1a polyprotein
著者Su, D, Lou, Z, Sun, F, Zhai, Y, Yang, H, Rao, Z.
登録日2006-03-08
公開日2006-08-15
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Dodecamer Structure of Severe Acute Respiratory Syndrome Coronavirus Nonstructural Protein nsp10
J.Virol., 80, 2006
6X4I
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BU of 6x4i by Molmil
Crystal Structure of NSP15 Endoribonuclease from SARS CoV-2 in the Complex with 3'-uridinemonophosphate
分子名称: 1,2-ETHANEDIOL, 3'-URIDINEMONOPHOSPHATE, SODIUM ION, ...
著者Chang, C, Kim, Y, Maltseva, N, Jedrzejczak, R, Endres, M, Michalska, K, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2020-05-22
公開日2020-06-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Tipiracil binds to uridine site and inhibits Nsp15 endoribonuclease NendoU from SARS-CoV-2.
Commun Biol, 4, 2021
6WXC
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BU of 6wxc by Molmil
Crystal Structure of NSP15 Endoribonuclease from SARS CoV-2 in the Complex with potential repurposing drug Tipiracil
分子名称: 1,2-ETHANEDIOL, 5-CHLORO-6-(1-(2-IMINOPYRROLIDINYL) METHYL) URACIL, FORMIC ACID, ...
著者Kim, Y, Maltseva, N, Jedrzejczak, R, Welk, L, Endres, M, Chang, C, Michalska, K, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2020-05-10
公開日2020-05-20
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Tipiracil binds to uridine site and inhibits Nsp15 endoribonuclease NendoU from SARS-CoV-2.
Commun Biol, 4, 2021
6X1B
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BU of 6x1b by Molmil
Crystal Structure of NSP15 Endoribonuclease from SARS CoV-2 in the Complex with the Product Nucleotide GpU.
分子名称: 1,2-ETHANEDIOL, DNA (5'-R(*GP*U)-3'), PHOSPHATE ION, ...
著者Kim, Y, Maltseva, N, Jedrzejczak, R, Welk, L, Endres, M, Chang, C, Michalska, K, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2020-05-18
公開日2020-05-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Tipiracil binds to uridine site and inhibits Nsp15 endoribonuclease NendoU from SARS-CoV-2.
Commun Biol, 4, 2021
4WP6
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BU of 4wp6 by Molmil
Structure of the Mex67 LRR domain from Chaetomium thermophilum
分子名称: mRNA export protein
著者Aibara, S, Valkov, E, Lamers, M, Stewart, M.
登録日2014-10-17
公開日2015-07-15
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural characterization of the principal mRNA-export factor Mex67-Mtr2 from Chaetomium thermophilum.
Acta Crystallogr.,Sect.F, 71, 2015
6PL0
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BU of 6pl0 by Molmil
Crystal structure of the dark-adapted full-length bacteriophytochrome XccBphP from Xanthomonas campestris in the Pr state bound to BV chromophore
分子名称: BILIVERDINE IX ALPHA, Bacteriophytochrome
著者Otero, L.H, Sirigu, S, Klinke, S, Goldbaum, F, Chavas, L, Rinaldi, J, Bonomi, H.R.
登録日2019-06-30
公開日2020-12-30
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.96 Å)
主引用文献Structural basis for the Pr-Pfr long-range signaling mechanism of a full-length bacterial phytochrome at the atomic level.
Sci Adv, 7, 2021
8RPK
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BU of 8rpk by Molmil
AMP-forming Acetyl-CoA synthetase from Chloroflexota bacterium without bound ligand
分子名称: Acetate--CoA ligase, MAGNESIUM ION, POTASSIUM ION
著者Striska, K, Palm, G.J, Lammers, M.
登録日2024-01-16
公開日2024-06-19
実験手法X-RAY DIFFRACTION (2.615 Å)
主引用文献The AMP-forming acetyl-CoA-synthetase is regulated by lysine acetylation and has an intrinsic phosphotransacetylase activity to adjust its activity to the cellular acetyl-phosphate level
Nature Structural Biology, 2024
6O1Q
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BU of 6o1q by Molmil
The N-terminal domain of NPHP1 folds into an antiparallel three-stranded coiled coil
分子名称: Nephrocystin-1
著者Musco, G, Mannella, V.
登録日2019-02-21
公開日2019-08-14
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献The N-Terminal Domain of NPHP1 Folds into a Monomeric Left-Handed Antiparallel Three-Stranded Coiled Coil with Anti-apoptotic Function.
Acs Chem.Biol., 14, 2019
3HW3
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BU of 3hw3 by Molmil
The crystal structure of avian influenza virus PA_N in complex with UMP
分子名称: MAGNESIUM ION, Polymerase acidic protein, URIDINE-5'-MONOPHOSPHATE
著者Zhao, C, Lou, Z, Guo, Y, Ma, M, Chen, Y, Rao, Z.
登録日2009-06-17
公開日2009-10-13
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Nucleoside monophosphate complex structures of the endonuclease domain from the influenza virus polymerase PA subunit reveal the substrate binding site inside the catalytic center
J.Virol., 83, 2009
3HW4
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BU of 3hw4 by Molmil
Crystal structure of avian influenza A virus in complex with TMP
分子名称: MAGNESIUM ION, Polymerase acidic protein, THYMIDINE-5'-PHOSPHATE
著者Zhao, C, Lou, Z, Guo, Y, Ma, M, Chen, Y, Rao, Z.
登録日2009-06-17
公開日2009-11-10
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Nucleoside monophosphate complex structures of the endonuclease domain from the influenza virus polymerase PA subunit reveal the substrate binding site inside the catalytic center
J.Virol., 83, 2009
4WWU
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BU of 4wwu by Molmil
Structure of Mex67:Mtr2
分子名称: ZINC ION, mRNA export factor MEX67, mRNA transport regulator MTR2
著者Aibara, S, Valkov, E, Stewart, M.
登録日2014-11-12
公開日2015-02-04
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (3.301 Å)
主引用文献Domain organization within the nuclear export factor Mex67:Mtr2 generates an extended mRNA binding surface.
Nucleic Acids Res., 43, 2015
3HRB
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BU of 3hrb by Molmil
p38 kinase Crystal structure in complex with small molecule inhibitor
分子名称: Mitogen-activated protein kinase 14, [3-amino-2-(2-methylphenyl)-1-oxidopyridin-4-yl](2,4-difluorophenyl)methanone
著者Segarra, V, Lumeras, W, Vidal, B, Leonard, P, Fisher, M, Lamers, M.
登録日2009-06-09
公開日2009-09-01
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Design, synthesis, and structure-activity relationships of aminopyridine N-oxides, a novel scaffold for the potent and selective inhibition of p38 mitogen activated protein kinase
J.Med.Chem., 52, 2009
3HW5
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BU of 3hw5 by Molmil
crystal structure of avian influenza virus PA_N in complex with AMP
分子名称: ADENOSINE MONOPHOSPHATE, MAGNESIUM ION, Polymerase acidic protein
著者Zhao, C, Lou, Z, Guo, Y, Ma, M, Chen, Y, Liang, S, Rao, Z.
登録日2009-06-17
公開日2009-10-13
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Nucleoside monophosphate complex structures of the endonuclease domain from the influenza virus polymerase PA subunit reveal the substrate binding site inside the catalytic center
J.Virol., 83, 2009
3HW6
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BU of 3hw6 by Molmil
Crystal structure of avian influenza virus PA_N in complex with Mn
分子名称: MANGANESE (II) ION, Polymerase acidic protein
著者Zhao, C, Lou, Z, Guo, Y, Ma, M, Chen, Y, Rao, Z.
登録日2009-06-17
公開日2009-10-13
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Nucleoside monophosphate complex structures of the endonuclease domain from the influenza virus polymerase PA subunit reveal the substrate binding site inside the catalytic center
J.Virol., 83, 2009
6GVA
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BU of 6gva by Molmil
CDK2/cyclin A2 in complex with pyrazolo[4,3-d]pyrimidine inhibitor LGR4455
分子名称: 1,2-ETHANEDIOL, 5-(2-azanylethylsulfanyl)-3-propan-2-yl-~{N}-[(4-pyridin-2-ylphenyl)methyl]-2~{H}-pyrazolo[4,3-d]pyrimidin-7-amine, BROMIDE ION, ...
著者Skerlova, J, Rezacova, P.
登録日2018-06-20
公開日2019-05-01
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献3,5,7-Substituted Pyrazolo[4,3- d]pyrimidine Inhibitors of Cyclin-Dependent Kinases and Their Evaluation in Lymphoma Models.
J.Med.Chem., 62, 2019
5MTX
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BU of 5mtx by Molmil
Dibenzooxepinone inhibitor 12b in complex with p38 MAPK
分子名称: 3-[(3-benzamido-4-fluoranyl-phenyl)amino]-~{N}-(2-morpholin-4-ylethyl)-11-oxidanylidene-6~{H}-benzo[c][1]benzoxepine-9-carboxamide, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside
著者Buehrmann, M, Rauh, D.
登録日2017-01-11
公開日2017-09-06
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Design, Synthesis, and Biological Evaluation of Novel Type I(1)/2 p38 alpha MAP Kinase Inhibitors with Excellent Selectivity, High Potency, and Prolonged Target Residence Time by Interfering with the R-Spine.
J. Med. Chem., 60, 2017
4FQK
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BU of 4fqk by Molmil
Influenza B/Brisbane/60/2008 hemagglutinin Fab CR8059 complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody CR8059 Heavy Chain, ...
著者Dreyfus, C, Laursen, N.S, Wilson, I.A.
登録日2012-06-25
公開日2012-08-22
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (5.65 Å)
主引用文献Highly conserved protective epitopes on influenza B viruses.
Science, 337, 2012
4FQJ
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BU of 4fqj by Molmil
Influenza B/Florida/4/2006 hemagglutinin Fab CR8071 complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, antibody CR8071 heavy chain, ...
著者Dreyfus, C, Laursen, N.S, Wilson, I.A.
登録日2012-06-25
公開日2012-08-22
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Highly conserved protective epitopes on influenza B viruses.
Science, 337, 2012
4FQY
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BU of 4fqy by Molmil
Crystal structure of broadly neutralizing antibody CR9114 bound to H3 influenza hemagglutinin
分子名称: Antibody CR9114 heavy chain, Antibody CR9114 light chain, Hemagglutinin HA1, ...
著者Ekiert, D.C, Dreyfus, C, Wilson, I.A.
登録日2012-06-25
公開日2012-08-22
最終更新日2018-01-31
実験手法X-RAY DIFFRACTION (5.253 Å)
主引用文献Highly conserved protective epitopes on influenza B viruses.
Science, 337, 2012
4FQI
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BU of 4fqi by Molmil
Crystal Structure of Fab CR9114 in Complex with a H5N1 influenza virus hemagglutinin
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Dreyfus, C, Wilson, I.A.
登録日2012-06-25
公開日2012-08-22
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Highly conserved protective epitopes on influenza B viruses.
Science, 337, 2012
5MTY
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BU of 5mty by Molmil
Dibenzosuberone inhibitor 8e in complex with p38 MAPK
分子名称: Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside, ~{N}-[2,4-bis(fluoranyl)-5-[[14-(2-hydroxyethylcarbamoyl)-2-oxidanylidene-6-tricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaenyl]amino]phenyl]thiophene-2-carboxamide
著者Buehrmann, M, Rauh, D.
登録日2017-01-11
公開日2017-09-06
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Design, Synthesis, and Biological Evaluation of Novel Type I(1)/2 p38 alpha MAP Kinase Inhibitors with Excellent Selectivity, High Potency, and Prolonged Target Residence Time by Interfering with the R-Spine.
J. Med. Chem., 60, 2017
4HVI
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JAK3 kinase domain in complex with 2-Cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid ((R)-1-methyl-2-oxo-2-piperidin-1-yl-ethyl)-amide
分子名称: 2-cyclopropyl-N-[(2R)-1-oxo-1-(piperidin-1-yl)propan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide, Tyrosine-protein kinase JAK3
著者Kuglstatter, A, Shao, A.
登録日2012-11-06
公開日2013-01-16
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献3-Amido Pyrrolopyrazine JAK Kinase Inhibitors: Development of a JAK3 vs JAK1 Selective Inhibitor and Evaluation in Cellular and in Vivo Models.
J.Med.Chem., 56, 2013

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