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5IME
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BU of 5ime by Molmil
Crystal structure of P21-activated kinase 1 (PAK1) in complex with compound 9
Descriptor: 8-(3-aminopropyl)-6-[2-chloro-4-(3-methyl-2-oxopyrazin-1(2H)-yl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7(8H)-one, Serine/threonine-protein kinase PAK 1
Authors:Li, D, Wang, W.
Deposit date:2016-03-06
Release date:2016-05-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.217 Å)
Cite:Chemically Diverse Group I p21-Activated Kinase (PAK) Inhibitors Impart Acute Cardiovascular Toxicity with a Narrow Therapeutic Window.
J.Med.Chem., 59, 2016
5K4J
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BU of 5k4j by Molmil
Crystal Structure of CDK2 in complex with compound 22
Descriptor: 1-[(1~{S})-1-(4-chloranyl-3-fluoranyl-phenyl)-2-oxidanyl-ethyl]-4-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one, Cyclin-dependent kinase 2
Authors:Yin, J, Wang, W.
Deposit date:2016-05-20
Release date:2016-07-06
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Discovery of (S)-1-(1-(4-Chloro-3-fluorophenyl)-2-hydroxyethyl)-4-(2-((1-methyl-1H-pyrazol-5-yl)amino)pyrimidin-4-yl)pyridin-2(1H)-one (GDC-0994), an Extracellular Signal-Regulated Kinase 1/2 (ERK1/2) Inhibitor in Early Clinical Development.
J.Med.Chem., 59, 2016
3URK
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BU of 3urk by Molmil
IspH in complex with propynyl diphosphate (1061)
Descriptor: 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, IRON/SULFUR CLUSTER, prop-2-yn-1-yl trihydrogen diphosphate
Authors:Span, I, Wang, K, Wang, W, Zhang, Y, Bacher, A, Eisenreich, W, Schulz, C, Oldfield, E, Groll, M.
Deposit date:2011-11-22
Release date:2012-09-05
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Discovery of acetylene hydratase activity of the iron-sulphur protein IspH.
Nat Commun, 3, 2012
5DG4
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BU of 5dg4 by Molmil
Crystal structure of monomer human cellular retinol binding protein II-Y60L
Descriptor: ACETATE ION, Retinol-binding protein 2
Authors:Assar, Z, Nossoni, Z, Wang, W, Gieger, J.H, Borhan, B.
Deposit date:2015-08-27
Release date:2016-09-21
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Domain-Swapped Dimers of Intracellular Lipid-Binding Proteins: Evidence for Ordered Folding Intermediates.
Structure, 24, 2016
3UTC
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BU of 3utc by Molmil
Ec_IspH in complex with (E)-4-hydroxybut-3-enyl diphosphate
Descriptor: (3E)-4-hydroxybut-3-en-1-yl trihydrogen diphosphate, 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, IRON/SULFUR CLUSTER
Authors:Span, I, Wang, K, Wang, W, Zhang, Y, Bacher, A, Eisenreich, W, Li, K, Schulz, C, Oldfield, E, Groll, M.
Deposit date:2011-11-25
Release date:2012-09-05
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery of acetylene hydratase activity of the iron-sulphur protein IspH.
Nat Commun, 3, 2012
8GZ4
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BU of 8gz4 by Molmil
Crystal structure of MPXV phosphatase
Descriptor: Dual specificity protein phosphatase H1, PHOSPHATE ION
Authors:Yang, H.T, Wang, W, Huang, H.J, Ji, X.Y.
Deposit date:2022-09-25
Release date:2023-05-17
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.802 Å)
Cite:Crystal structure of monkeypox H1 phosphatase, an antiviral drug target.
Protein Cell, 14, 2023
3UV6
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BU of 3uv6 by Molmil
Ec_IspH in complex with 4-hydroxybutyl diphosphate (1301)
Descriptor: 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, 4-hydroxybutyl trihydrogen diphosphate, IRON/SULFUR CLUSTER
Authors:Span, I, Wang, K, Wang, W, Zhang, Y, Bacher, A, Eisenreich, W, Schulz, C, Oldfield, E, Groll, M.
Deposit date:2011-11-29
Release date:2012-09-05
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Discovery of acetylene hydratase activity of the iron-sulphur protein IspH.
Nat Commun, 3, 2012
3UWM
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BU of 3uwm by Molmil
Ec_IspH in complex with 4-oxobutyl diphosphate (1302)
Descriptor: (3E)-4-hydroxybut-3-en-1-yl trihydrogen diphosphate, 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, 4-oxobutyl trihydrogen diphosphate, ...
Authors:Span, I, Wang, K, Wang, W, Zhang, Y, Bacher, A, Eisenreich, W, Schulz, C, Oldfield, E, Groll, M.
Deposit date:2011-12-02
Release date:2012-09-05
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Discovery of acetylene hydratase activity of the iron-sulphur protein IspH.
Nat Commun, 3, 2012
3RO3
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BU of 3ro3 by Molmil
crystal structure of LGN/mInscuteable complex
Descriptor: CHLORIDE ION, ETHANOL, G-protein-signaling modulator 2, ...
Authors:Zhu, J, Wen, W, Shang, Y, Wei, Z, Pan, Z, Wang, W, Zhang, M.
Deposit date:2011-04-25
Release date:2012-03-07
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:LGN/mInsc and LGN/NuMA complex structures suggest distinct functions in asymmetric cell division for the Par3/mInsc/LGN and G[alpha]i/LGN/NuMA pathways
Mol.Cell, 43, 2011
3UTD
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BU of 3utd by Molmil
Ec_IspH in complex with 4-oxopentyl diphosphate
Descriptor: 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, 4-oxopentyl trihydrogen diphosphate, FE3-S4 CLUSTER
Authors:Span, I, Wang, K, Wang, W, Zhang, Y, Bacher, A, Eisenreich, W, Schulz, C, Oldfield, E, Groll, M.
Deposit date:2011-11-25
Release date:2012-09-05
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Discovery of acetylene hydratase activity of the iron-sulphur protein IspH.
Nat Commun, 3, 2012
4G5S
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BU of 4g5s by Molmil
Structure of LGN GL3/Galphai3 complex
Descriptor: CITRIC ACID, G-protein-signaling modulator 2, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Jia, M, Li, J, Zhu, J, Wen, W, Zhang, M, Wang, W.
Deposit date:2012-07-18
Release date:2012-09-05
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (3.62 Å)
Cite:Crystal Structures of the scaffolding protein LGN reveal the general mechanism by which GoLoco binding motifs inhibit the release of GDP from Galphai subunits in G-coupled heterotrimeric proteins
To be Published
3ZEE
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BU of 3zee by Molmil
Electron cyro-microscopy helical reconstruction of Par-3 N terminal domain
Descriptor: PARTITIONING DEFECTIVE 3 HOMOLOG
Authors:Zhang, Y, Wang, W, Chen, J, Zhang, K, Gao, F, Gong, W, Zhang, M, Sun, F, Feng, W.
Deposit date:2012-12-05
Release date:2013-10-16
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (6.1 Å)
Cite:Structural Insights Into the Intrinsic Self-Assembly of Par-3 N-Terminal Domain.
Structure, 21, 2013
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
5GTX
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BU of 5gtx by Molmil
Crystal structure of mutated buckwheat glutaredoxin
Descriptor: buckwheat glutaredoxin
Authors:Zhang, X, Wang, W, Zhao, Y, Wang, Z, Wang, H.
Deposit date:2016-08-23
Release date:2017-07-05
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Structural insights into the binding of buckwheat glutaredoxin with GSH and regulation of its catalytic activity
J. Inorg. Biochem., 173, 2017
4QYP
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BU of 4qyp by Molmil
The Crystal Structures of holo-wt human Cellular Retinol Binding protein II (hCRBPII) bound to Retinal
Descriptor: ACETATE ION, RETINAL, Retinol-binding protein 2
Authors:Nossoni, Z, Assar, Z, Yapici, I, Nosrati, M, Wang, W, Berbasova, T, Vasileiou, C, Borhan, B, Geiger, H.
Deposit date:2014-07-25
Release date:2014-12-10
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Structures of holo wild-type human cellular retinol-binding protein II (hCRBPII) bound to retinol and retinal.
Acta Crystallogr.,Sect.D, 70, 2014
5GOU
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BU of 5gou by Molmil
Structure of a 16-mer protein nanocage fabricated from its 24-mer analogue by subunit interface redesign
Descriptor: Ferritin heavy chain
Authors:Zhang, S, Zang, J, Wang, W, Wang, H, Zhao, G.
Deposit date:2016-07-29
Release date:2017-02-22
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.91 Å)
Cite:Conversion of the Native 24-mer Ferritin Nanocage into Its Non-Native 16-mer Analogue by Insertion of Extra Amino Acid Residues.
Angew. Chem. Int. Ed. Engl., 55, 2016
4QYN
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BU of 4qyn by Molmil
The Crystal Structures of holo-wt human Cellular Retinol Binding protein II (hCRBPII) bound to Retinol
Descriptor: ACETATE ION, RETINOL, Retinol-binding protein 2
Authors:Nossoni, Z, Assar, Z, Yapici, I, Nosrati, M, Wang, W, Berbasova, T, Vasileiou, C, Borhan, B, Geiger, H.
Deposit date:2014-07-24
Release date:2014-12-31
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.19 Å)
Cite:Structures of holo wild-type human cellular retinol-binding protein II (hCRBPII) bound to retinol and retinal.
Acta Crystallogr.,Sect.D, 70, 2014
4TNP
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BU of 4tnp by Molmil
Structural basis of cellular dNTP regulation, SAMHD1-GTP-dCTP-cCTP complex
Descriptor: 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Ji, X, Tang, C, Zhao, Q, Wang, W, Xiong, Y.
Deposit date:2014-06-04
Release date:2014-10-01
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis of cellular dNTP regulation by SAMHD1.
Proc.Natl.Acad.Sci.USA, 111, 2014
4TO5
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BU of 4to5 by Molmil
Structure basis of cellular dNTP regulation, SAMHD1-GTP-dTTP-dCTP complex
Descriptor: 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Ji, X, Tang, C, Zhao, Q, Wang, W, Xiong, Y.
Deposit date:2014-06-05
Release date:2014-10-01
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural basis of cellular dNTP regulation by SAMHD1.
Proc.Natl.Acad.Sci.USA, 111, 2014
4TNX
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BU of 4tnx by Molmil
Structure basis of cellular dNTP regulation, SAMHD1-GTP-dGTP complex
Descriptor: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Ji, X, Tang, C, Zhao, Q, Wang, W, Xiong, Y.
Deposit date:2014-06-05
Release date:2014-10-01
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Structural basis of cellular dNTP regulation by SAMHD1.
Proc.Natl.Acad.Sci.USA, 111, 2014
6QNA
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BU of 6qna by Molmil
Structure of bovine anti-RSV hybrid Fab B13HC-B4LC
Descriptor: B13 Heavy chain, B4 light chain, GLYCEROL
Authors:Ren, J, Nettleship, J.E, Harris, G, Mwangi, W, Rhaman, N, Grant, C, Kotecha, A, Fry, E, Charleston, B, Stuart, D.I, Hammond, J, Owens, R.J.
Deposit date:2019-02-10
Release date:2019-05-29
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:The role of the light chain in the structure and binding activity of two cattle antibodies that neutralize bovine respiratory syncytial virus.
Mol.Immunol., 112, 2019
6QN9
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BU of 6qn9 by Molmil
Structure of bovine anti-RSV Fab B4
Descriptor: GLYCEROL, Heavy chain, SULFATE ION, ...
Authors:Ren, J, Nettleship, J.E, Harris, G, Mwangi, W, Rhaman, N, Grant, C, Kotecha, A, Fry, E, Charleston, B, Stuart, D.I, Hammond, J, Owens, R.J.
Deposit date:2019-02-10
Release date:2019-05-29
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:The role of the light chain in the structure and binding activity of two cattle antibodies that neutralize bovine respiratory syncytial virus.
Mol.Immunol., 112, 2019
4TO3
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BU of 4to3 by Molmil
Structural basis of cellular dNTP regulation, SAMHD1-dGTP-dGTP-dCTP complex
Descriptor: 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, ...
Authors:Ji, X, Tang, C, Zhao, Q, Wang, W, Xiong, Y.
Deposit date:2014-06-05
Release date:2014-10-01
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural basis of cellular dNTP regulation by SAMHD1.
Proc.Natl.Acad.Sci.USA, 111, 2014
4TO0
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BU of 4to0 by Molmil
Structure basis of cellular dNTP regulation, SAMHD1-GTP-dATP-dCTP complex
Descriptor: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, ...
Authors:Ji, X, Tang, C, Zhao, Q, Wang, W, Xiong, Y.
Deposit date:2014-06-05
Release date:2014-10-01
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis of cellular dNTP regulation by SAMHD1.
Proc.Natl.Acad.Sci.USA, 111, 2014
6QN8
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BU of 6qn8 by Molmil
Structure of bovine anti-RSV Fab B13
Descriptor: CHLORIDE ION, Heavy chain of bovine anti-RSV B13 Fab, Light chain of bovine anti-RSV Fab B13
Authors:Ren, J, Nettleship, J.E, Harris, G, Mwangi, W, Rhaman, N, Grant, C, Kotecha, A, Fry, E, Charleston, B, Stuart, D.I, Hammond, J, Owens, R.J.
Deposit date:2019-02-10
Release date:2019-05-29
Last modified:2019-08-21
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:The role of the light chain in the structure and binding activity of two cattle antibodies that neutralize bovine respiratory syncytial virus.
Mol.Immunol., 112, 2019

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