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6W3C
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BU of 6w3c by Molmil
Structure of phosphorylated apo IRE1
Descriptor: Serine/threonine-protein kinase/endoribonuclease IRE1
Authors:Wallweber, H, Mortara, K, Ferri, E, Wang, W, Rudolph, J.
Deposit date:2020-03-09
Release date:2020-12-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Activation of the IRE1 RNase through remodeling of the kinase front pocket by ATP-competitive ligands.
Nat Commun, 11, 2020
6W3K
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BU of 6w3k by Molmil
Structure of unphosphorylated human IRE1 bound to G-9807
Descriptor: 4-[5-[2,6-bis(fluoranyl)phenyl]-2~{H}-pyrazolo[3,4-b]pyridin-3-yl]-2-(4-oxidanylpiperidin-1-yl)-1~{H}-pyrimidin-6-one, Serine/threonine-protein kinase/endoribonuclease IRE1
Authors:Lammens, A, Wang, W, Ferri, E, Rudolph, J.
Deposit date:2020-03-09
Release date:2020-12-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Activation of the IRE1 RNase through remodeling of the kinase front pocket by ATP-competitive ligands.
Nat Commun, 11, 2020
4H75
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BU of 4h75 by Molmil
Crystal structure of human Spindlin1 in complex with a histone H3K4(me3) peptide
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, GLYCEROL, Histone H3, ...
Authors:Yang, N, Wang, W, Wang, Y, Wang, M, Zhao, Q, Rao, Z, Zhu, B, Xu, R.M.
Deposit date:2012-09-20
Release date:2012-10-03
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.098 Å)
Cite:Distinct mode of methylated lysine-4 of histone H3 recognition by tandem tudor-like domains of Spindlin1.
Proc.Natl.Acad.Sci.USA, 109, 2012
4Q5W
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BU of 4q5w by Molmil
Crystal structure of extended-Tudor 9 of Drosophila melanogaster
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Maternal protein tudor
Authors:Ren, R, Liu, H, Wang, W, Wang, M, Yang, N, Dong, Y, Gong, W, Lehmann, R, Xu, R.M.
Deposit date:2014-04-17
Release date:2014-05-21
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.801 Å)
Cite:Structure and domain organization of Drosophila Tudor
Cell Res., 24, 2014
4Q5Y
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BU of 4q5y by Molmil
Crystal structure of extended-Tudor 10-11 of Drosophila melanogaster
Descriptor: Maternal protein tudor
Authors:Liu, H, Ren, R, Wang, W, Wang, M, Yang, N, Dong, Y, Gong, W, Lehmann, R, Xu, R.M.
Deposit date:2014-04-18
Release date:2014-05-21
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure and domain organization of Drosophila Tudor
Cell Res., 24, 2014
3MXN
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BU of 3mxn by Molmil
Crystal structure of the RMI core complex
Descriptor: BENZAMIDINE, RecQ-mediated genome instability protein 1, RecQ-mediated genome instability protein 2
Authors:Hoadley, K.A, Xu, D, Xue, Y, Satyshur, K.A, Wang, W, Keck, J.L.
Deposit date:2010-05-07
Release date:2010-09-15
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structure and cellular roles of the RMI core complex from the bloom syndrome dissolvasome.
Structure, 18, 2010
3MWP
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BU of 3mwp by Molmil
Nucleoprotein structure of lassa fever virus
Descriptor: Nucleoprotein, ZINC ION
Authors:Qi, X, Lan, S, Wang, W, Schelde, L.M, Dong, H, Wallat, G, Liang, Y, Ly, H, Dong, C, Scottish Structural Proteomics Facility (SSPF)
Deposit date:2010-05-06
Release date:2010-12-01
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.795 Å)
Cite:Cap binding and immune evasion revealed by Lassa nucleoprotein structure.
Nature, 468, 2010
3MX5
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BU of 3mx5 by Molmil
Lassa fever virus nucleoprotein complexed with UTP
Descriptor: Nucleoprotein, URIDINE 5'-TRIPHOSPHATE, ZINC ION
Authors:Qi, X, Lan, S, Wang, W, Schelde, L.M, Dong, H, Wallat, G, Liang, Y, Ly, H, Dong, C, Scottish Structural Proteomics Facility (SSPF)
Deposit date:2010-05-06
Release date:2010-12-01
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.903 Å)
Cite:Cap binding and immune evasion revealed by Lassa nucleoprotein structure.
Nature, 468, 2010
3MWT
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BU of 3mwt by Molmil
Crystal structure of Lassa fever virus nucleoprotein in complex with Mn2+
Descriptor: MANGANESE (II) ION, Nucleoprotein, ZINC ION
Authors:Qi, X, Lan, S, Wang, W, Schelde, L.M, Dong, H, Wallat, G, Liang, Y, Ly, H, Dong, C, Scottish Structural Proteomics Facility (SSPF)
Deposit date:2010-05-06
Release date:2010-12-01
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.982 Å)
Cite:Cap binding and immune evasion revealed by Lassa nucleoprotein structure.
Nature, 468, 2010
3MX2
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BU of 3mx2 by Molmil
Lassa fever virus Nucleoprotein complexed with dTTP
Descriptor: Nucleoprotein, THYMIDINE-5'-TRIPHOSPHATE, ZINC ION
Authors:Qi, X, Lan, S, Wang, W, Schelde, L.M, Dong, H, Wallat, G, Liang, Y, Ly, H, Dong, C, Scottish Structural Proteomics Facility (SSPF)
Deposit date:2010-05-06
Release date:2010-12-01
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.983 Å)
Cite:Cap binding and immune evasion revealed by Lassa nucleoprotein structure.
Nature, 468, 2010
1T6X
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BU of 1t6x by Molmil
Crystal structure of ADP bound TM379
Descriptor: ADENOSINE-5'-DIPHOSPHATE, riboflavin kinase/FMN adenylyltransferase
Authors:Shin, D.H, Wang, W, Kim, R, Yokota, H, Kim, S.-H, Berkeley Structural Genomics Center (BSGC)
Deposit date:2004-05-07
Release date:2004-08-10
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Crystal structure of ADP bound FAD synthetase
To be Published
4GV3
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BU of 4gv3 by Molmil
Structures of Lassa and Tacaribe viral nucleoproteins with or without 5 triphosphate dsRNA substrate reveal a unique 3 -5 exoribonuclease mechanism to suppress type I interferon production
Descriptor: MANGANESE (II) ION, Nucleoprotein, RNA (5'-R(*(GTP)P*GP*GP*C)-3'), ...
Authors:Jiang, X, Huang, Q, Wang, W, Dong, H, Ly, H, Liang, Y, Dong, C.
Deposit date:2012-08-30
Release date:2013-05-01
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Structures of Arenaviral Nucleoproteins with Triphosphate dsRNA Reveal a Unique Mechanism of Immune Suppression.
J.Biol.Chem., 288, 2013
8UVL
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BU of 8uvl by Molmil
Crystal structure of selective IRE1a inhibitor 29 at the enzyme active site
Descriptor: 1,2-ETHANEDIOL, 1-phenyl-N-(2,3,6-trifluoro-4-{[(3M)-3-(2-{[(3R,5R)-5-fluoropiperidin-3-yl]amino}pyrimidin-4-yl)pyridin-2-yl]oxy}phenyl)methanesulfonamide, Serine/threonine-protein kinase/endoribonuclease IRE1
Authors:Kiefer, J.R, Wallweber, H.A, Braun, M.-G, Wei, W, Jiang, F, Wang, W, Rudolph, J, Ashkenazi, A.
Deposit date:2023-11-03
Release date:2024-05-29
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Discovery of Potent, Selective, and Orally Available IRE1 alpha Inhibitors Demonstrating Comparable PD Modulation to IRE1 Knockdown in a Multiple Myeloma Model.
J.Med.Chem., 2024
4QM0
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BU of 4qm0 by Molmil
Crystal structure of RORc in complex with a tertiary sulfonamide inverse agonist
Descriptor: DIMETHYL SULFOXIDE, N-(2-methylpropyl)-N-({5-[4-(methylsulfonyl)phenyl]thiophen-2-yl}methyl)-1-phenylmethanesulfonamide, Nuclear receptor ROR-gamma
Authors:Boenig, G, Hymowitz, S.G, Wang, W.
Deposit date:2014-06-14
Release date:2014-09-17
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.195 Å)
Cite:Reduction in lipophilicity improved the solubility, plasma-protein binding, and permeability of tertiary sulfonamide RORc inverse agonists.
Bioorg.Med.Chem.Lett., 24, 2014
4QC2
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BU of 4qc2 by Molmil
Crystal structure of lipopolysaccharide transport protein LptB in complex with ATP and Magnesium ions
Descriptor: ABC transporter related protein, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION
Authors:Wang, Z, Xiang, Q, Zhu, X, Dong, H, He, C, Wang, H, Zhang, Y, Wang, W, Dong, C.
Deposit date:2014-05-09
Release date:2014-10-22
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Structural and functional studies of conserved nucleotide-binding protein LptB in lipopolysaccharide transport.
Biochem.Biophys.Res.Commun., 452, 2014
4QP1
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BU of 4qp1 by Molmil
Crystal structure of ERK2 in complex with N-cyclohexyl-9H-purin-6-amine
Descriptor: IMIDAZOLE, Mitogen-activated protein kinase 1, N-BENZYL-9H-PURIN-6-AMINE
Authors:Yin, J, Wang, W.
Deposit date:2014-06-22
Release date:2015-09-23
Last modified:2015-12-16
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Fragment-based discovery of potent ERK2 pyrrolopyrazine inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
4QP9
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BU of 4qp9 by Molmil
Crystal Structure of ERK2 in complex with 7-(1-propyl-1H-pyrazol-4-yl)-2-(pyridin-4-yl)-5H-pyrrolo[2,3-b]pyrazine
Descriptor: 7-(1-propyl-1H-pyrazol-4-yl)-2-(pyridin-4-yl)-5H-pyrrolo[2,3-b]pyrazine, Mitogen-activated protein kinase 1
Authors:Yin, J, Wang, W.
Deposit date:2014-06-22
Release date:2015-09-23
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.001 Å)
Cite:Fragment-based discovery of potent ERK2 pyrrolopyrazine inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
4QP7
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BU of 4qp7 by Molmil
Crystal Structure of ERK2 in complex with 2-(1H-pyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine
Descriptor: 2-(1H-pyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine, Mitogen-activated protein kinase 1
Authors:Yin, J, Wang, W.
Deposit date:2014-06-22
Release date:2015-09-23
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.249 Å)
Cite:Fragment-based discovery of potent ERK2 pyrrolopyrazine inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
4QP4
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BU of 4qp4 by Molmil
Crystal Structure of ERK2 in complex with N-cyclohexyl-9H-purin-6-amine
Descriptor: Mitogen-activated protein kinase 1, N-cyclohexyl-9H-purin-6-amine
Authors:Yin, J, Wang, W.
Deposit date:2014-06-22
Release date:2015-09-23
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Fragment-based discovery of potent ERK2 pyrrolopyrazine inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
4QPA
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BU of 4qpa by Molmil
Crystal Structure of ERK2 in complex with 7-(1-benzyl-1H-pyrazol-4-yl)-2-(pyridin-4-yl)-5H-pyrrolo[2,3-b]pyrazine
Descriptor: 7-(1-benzyl-1H-pyrazol-4-yl)-2-(pyridin-4-yl)-5H-pyrrolo[2,3-b]pyrazine, Mitogen-activated protein kinase 1
Authors:Yin, J, Wang, W.
Deposit date:2014-06-22
Release date:2015-09-23
Last modified:2015-12-16
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Fragment-based discovery of potent ERK2 pyrrolopyrazine inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
4QP3
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BU of 4qp3 by Molmil
Crystal Structure of ERK2 in complex with (S)-2-((9H-purin-6-yl)amino)-3-phenylpropan-1-ol
Descriptor: (2S)-3-phenyl-2-(9H-purin-6-ylamino)propan-1-ol, Mitogen-activated protein kinase 1
Authors:Yin, J, Wang, W.
Deposit date:2014-06-22
Release date:2015-09-23
Last modified:2015-12-16
Method:X-RAY DIFFRACTION (2.599 Å)
Cite:Fragment-based discovery of potent ERK2 pyrrolopyrazine inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
4QP6
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BU of 4qp6 by Molmil
Crystal Structure of ERK2 in complex with 5H-pyrrolo[2,3-b]pyrazine
Descriptor: 5H-pyrrolo[2,3-b]pyrazine, IMIDAZOLE, Mitogen-activated protein kinase 1
Authors:Yin, J, Wang, W.
Deposit date:2014-06-22
Release date:2015-09-23
Last modified:2015-12-16
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Fragment-based discovery of potent ERK2 pyrrolopyrazine inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
4QP8
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BU of 4qp8 by Molmil
Crystal Structure of ERK2 in complex with 2-(1H-pyrazol-4-yl)-7-(pyridin-3-yl)-5H-pyrrolo[2,3-b]pyrazine
Descriptor: 2-(1H-pyrazol-4-yl)-7-(pyridin-3-yl)-5H-pyrrolo[2,3-b]pyrazine, Mitogen-activated protein kinase 1
Authors:Yin, J, Wang, W.
Deposit date:2014-06-22
Release date:2015-09-23
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.446 Å)
Cite:Fragment-based discovery of potent ERK2 pyrrolopyrazine inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
4QP2
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BU of 4qp2 by Molmil
Crystal Structure of ERKs in complex with 5-chlorobenzo[d]oxazol-2-amine
Descriptor: 5-chloro-1,3-benzoxazol-2-amine, IMIDAZOLE, Mitogen-activated protein kinase 1
Authors:Yin, J, Wang, W.
Deposit date:2014-06-22
Release date:2015-09-23
Last modified:2015-12-16
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Fragment-based discovery of potent ERK2 pyrrolopyrazine inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
5CB2
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BU of 5cb2 by Molmil
the structure of candida albicans Sey1p in complex with GMPPNP
Descriptor: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, Protein SEY1
Authors:Yan, L, Sun, S, Wang, W, Shi, J, Hu, X, Wang, S, Rao, Z, Hu, J, Lou, Z.
Deposit date:2015-06-30
Release date:2015-09-23
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structures of the yeast dynamin-like GTPase Sey1p provide insight into homotypic ER fusion
J.Cell Biol., 210, 2015

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