Author results

5MUU
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DSRNA BACTERIOPHAGE PHI6 NUCLEOCAPSID
Descriptor:Major inner protein P1, Packaging enzyme P4, Major outer capsid protein
Authors:Sun, Z., El Omari, K., Sun, X., Ilca, S.L., Kotecha, A., Stuart, D.I., Poranen, M.M., Huiskonen, J.T.
Deposit date:2017-01-14
Release date:2017-03-22
Last modified:2019-10-23
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Double-stranded RNA virus outer shell assembly by bona fide domain-swapping.
Nat Commun, 8, 2017
5MUV
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ATOMIC STRUCTURE FITTED INTO A LOCALIZED RECONSTRUCTION OF BACTERIOPHAGE PHI6 PACKAGING HEXAMER P4
Descriptor:Packaging enzyme P4, CALCIUM ION, ADENOSINE-5'-DIPHOSPHATE
Authors:Sun, Z., El Omari, K., Sun, X., Ilca, S., Kotecha, A., Stuart, D.I., Poranen, M.M., Huiskonen, J.T.
Deposit date:2017-01-14
Release date:2017-03-22
Last modified:2019-04-24
Method:ELECTRON MICROSCOPY (9.1 Å)
Cite:Double-stranded RNA virus outer shell assembly by bona fide domain-swapping.
Nat Commun, 8, 2017
5MUW
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ATOMIC STRUCTURE OF P4 PACKAGING ENZYME FITTED INTO A LOCALIZED RECONSTRUCTION OF BACTERIOPHAGE PHI6 VERTEX
Descriptor:Packaging enzyme P4, CALCIUM ION, ADENOSINE-5'-DIPHOSPHATE
Authors:Sun, Z., El Omari, K., Sun, X., Ilca, S., Kotecha, A., Stuart, D.I., Poranen, M.M., Huiskonen, J.T.
Deposit date:2017-01-14
Release date:2017-03-22
Last modified:2019-12-11
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Double-stranded RNA virus outer shell assembly by bona fide domain-swapping.
Nat Commun, 8, 2017
1W0R
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SOLUTION STRUCTURE OF DIMERIC FORM OF PROPERDIN BY X-RAY SOLUTION SCATTERING AND ANALYTICAL ULTRACENTRIFUGATION
Descriptor:PROPERDIN
Authors:Sun, Z., Reid, K.B.M., Perkins, S.J.
Deposit date:2004-06-09
Release date:2005-07-06
Method:SOLUTION SCATTERING
Cite:The Dimeric and Trimeric Solution Structures of the Multidomain Complement Protein Properdin by X-Ray Scattering, Analytical Ultracentrifugation and Constrained Modelling.
J.Mol.Biol., 343, 2004
1W0S
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SOLUTION STRUCTURE OF TRIMERIC FORM OF PROPERDIN BY X-RAY SOLUTION SCATTERING AND ANALYTICAL ULTRACENTRIFUGATION
Descriptor:PROPERDIN
Authors:Sun, Z., Reid, K.B.M., Perkins, S.J.
Deposit date:2004-06-09
Release date:2005-07-06
Method:SOLUTION SCATTERING
Cite:The Dimeric and Trimeric Solution Structures of the Multidomain Complement Protein Properdin by X-Ray Scattering, Analytical Ultracentrifugation and Constrained Modelling.
J.Mol.Biol., 343, 2004
1ZVO
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SEMI-EXTENDED SOLUTION STRUCTURE OF HUMAN MYELOMA IMMUNOGLOBULIN D DETERMINED BY CONSTRAINED X-RAY SCATTERING
Descriptor:myeloma immunoglobulin D lambda, Immunoglobulin delta heavy chain
Authors:Sun, Z., Almogren, A., Furtado, P.B., Chowdhury, B., Kerr, M.A., Perkins, S.J.
Deposit date:2005-06-02
Release date:2005-10-25
Last modified:2017-10-11
Method:SOLUTION SCATTERING
Cite:Semi-extended Solution Structure of Human Myeloma Immunoglobulin D Determined by Constrained X-ray Scattering.
J.Mol.Biol., 353, 2005
2VRF
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CRYSTAL STRUCTURE OF THE HUMAN BETA-2-SYNTROPHIN PDZ DOMAIN
Descriptor:BETA-2-SYNTROPHIN, 1,2-ETHANEDIOL
Authors:Sun, Z., Roos, A.K., Pike, A.C.W., Pilka, E.S., Cooper, C., Elkins, J.M., Murray, J., Arrowsmith, C.H., Doyle, D., Edwards, A., von Delft, F., Bountra, C., Oppermann, U.
Deposit date:2008-03-31
Release date:2008-04-22
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of the Human Beta-2-Syntrophin Pdz Domain
To be Published
4XBT
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CRYSTAL STRUCTURE OF THE L74F/M78F/L103V/L114V/I116V/F139V/L147V MUTANT OF LEH COMPLEXED WITH (S,S)-CYCLOHEXANEDIOL
Descriptor:Limonene-1,2-epoxide hydrolase, (1S,2S)-cyclohexane-1,2-diol, CITRATE ANION
Authors:Kong, X.D., Sun, Z., Lonsdale, R., Xu, J.H., Reetz, M.T., Zhou, J.
Deposit date:2014-12-17
Release date:2015-07-15
Last modified:2015-10-14
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Reshaping an Enzyme Binding Pocket for Enhanced and Inverted Stereoselectivity: Use of Smallest Amino Acid Alphabets in Directed Evolution
Angew.Chem.Int.Ed.Engl., 54, 2015
4XBX
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CRYSTAL STRUCTURE OF THE L74F/M78F/L103V/L114V/I116V/F139V/L147V MUTANT OF LEH
Descriptor:Limonene-1,2-epoxide hydrolase
Authors:Kong, X.D., Sun, Z., Xu, J.H., Reetz, M.T., Zhou, J.
Deposit date:2014-12-17
Release date:2015-07-15
Last modified:2017-09-27
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Reshaping an Enzyme Binding Pocket for Enhanced and Inverted Stereoselectivity: Use of Smallest Amino Acid Alphabets in Directed Evolution
Angew.Chem.Int.Ed.Engl., 54, 2015
4XBY
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CRYSTAL STRUCTURE OF THE L74F/M78V/I80V/L114F MUTANT OF LEH COMPLEXED WITH CYCLOPENTENE OXIDE
Descriptor:Limonene-1,2-epoxide hydrolase, (1R,5S)-6-oxabicyclo[3.1.0]hexane
Authors:Kong, X.D., Sun, Z., Xu, J.H., Reetz, M.T., Zhou, J.
Deposit date:2014-12-17
Release date:2015-07-15
Last modified:2015-10-14
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Reshaping an Enzyme Binding Pocket for Enhanced and Inverted Stereoselectivity: Use of Smallest Amino Acid Alphabets in Directed Evolution
Angew.Chem.Int.Ed.Engl., 54, 2015
4XDV
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CRYSTAL STRUCTURE OF THE L74F/M78V/I80V/L114F MUTANT OF LEH COMPLEXED WITH CYCLOHEXANEDIOL
Descriptor:Limonene-1,2-epoxide hydrolase, (1R,2R)-cyclohexane-1,2-diol
Authors:Kong, X.D., Sun, Z., Lonsdale, R., Xu, J.H., Reetz, M.T., Zhou, J.
Deposit date:2014-12-20
Release date:2015-07-15
Last modified:2015-10-14
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Reshaping an Enzyme Binding Pocket for Enhanced and Inverted Stereoselectivity: Use of Smallest Amino Acid Alphabets in Directed Evolution
Angew.Chem.Int.Ed.Engl., 54, 2015
4XDW
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CRYSTAL STRUCTURE OF THE L74F/M78V/I80V/L114F MUTANT OF LEH
Descriptor:Limonene-1,2-epoxide hydrolase
Authors:Kong, X.D., Sun, Z., Lonsdale, R., Xu, J.H., Reetz, M.T., Zhou, J.
Deposit date:2014-12-20
Release date:2015-07-15
Last modified:2015-10-14
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Reshaping an Enzyme Binding Pocket for Enhanced and Inverted Stereoselectivity: Use of Smallest Amino Acid Alphabets in Directed Evolution
Angew.Chem.Int.Ed.Engl., 54, 2015
6C89
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NDM-1 BETA-LACTAMASE EXHIBITS DIFFERENTIAL ACTIVE SITE SEQUENCE REQUIREMENTS FOR THE HYDROLYSIS OF PENICILLIN VERSUS CARBAPENEM ANTIBIOTICS
Descriptor:Beta-lactamase, ZINC ION, 1,2-ETHANEDIOL, ...
Authors:Palzkill, T., Sun, Z., Sankaran, B.
Deposit date:2018-01-24
Release date:2018-12-12
Last modified:2019-02-20
Method:X-RAY DIFFRACTION (1.750062 Å)
Cite:Differential active site requirements for NDM-1 beta-lactamase hydrolysis of carbapenem versus penicillin and cephalosporin antibiotics.
Nat Commun, 9, 2018
1ZLG
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SOLUTION STRUCTURE OF THE EXTRACELLULAR MATRIX PROTEIN ANOSMIN-1
Descriptor:Anosmin 1
Authors:Hu, Y., Sun, Z., Eaton, J.T., Bouloux, P.M., Perkins, S.J.
Deposit date:2005-05-06
Release date:2006-05-09
Last modified:2017-10-11
Method:SOLUTION SCATTERING
Cite:Extended and Flexible Domain Solution Structure of the Extracellular Matrix Protein Anosmin-1 by X-ray Scattering, Analytical Ultracentrifugation and Constrained Modelling.
J.Mol.Biol., 350, 2005
2ESG
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SOLUTION STRUCTURE OF THE COMPLEX BETWEEN IMMUNOGLOBULIN IGA1 AND HUMAN SERUM ALBUMIN
Descriptor:Immunoglobulin A1 light chain, Immunoglobulin A1 heavy chain, Serum albumin
Authors:Almogren, A., Furtado, P.B., Sun, Z., Perkins, S.J., Kerr, M.A.
Deposit date:2005-10-26
Release date:2006-01-31
Last modified:2018-06-13
Method:SOLUTION SCATTERING
Cite:Purification, Properties and Extended Solution Structure of the Complex Formed between Human Immunoglobulin A1 and Human Serum Albumin by Scattering and Ultracentrifugation.
J.Mol.Biol., 356, 2006
2VSV
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CRYSTAL STRUCTURE OF THE PDZ DOMAIN OF HUMAN RHOPHILIN-2
Descriptor:RHOPHILIN-2
Authors:Pike, A.C.W., Kochan, G., Sun, Z., Shafqat, N., Pilka, E.S., Roos, A., Elkins, J., Burgess-Brown, N., Murray, J.W., von Delft, F., Wikstrom, M., Edwards, A., Arrowsmith, C.H., Bountra, C., Oppermann, U.
Deposit date:2008-04-29
Release date:2008-07-15
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Crystal Structure of the Pdz Domain of Human Rhophilin-2
To be Published
2VX2
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CRYSTAL STRUCTURE OF HUMAN ENOYL COENZYME A HYDRATASE DOMAIN- CONTAINING PROTEIN 3 (ECHDC3)
Descriptor:ENOYL-COA HYDRATASE DOMAIN-CONTAINING PROTEIN 3
Authors:Yue, W.W., Guo, K., Kochan, G., Pilka, E., Murray, J.W., Salah, E., Cocking, R., Sun, Z., Roos, A.K., Pike, A.C.W., Filippakopoulos, P., Arrowsmith, C., Wikstrom, M., Edwards, A., Bountra, C., Oppermann, U.
Deposit date:2008-06-30
Release date:2008-10-14
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structure of Human Enoyl Coenzyme a Hydratase Domain-Containing Protein 3 (Echdc3)
To be Published
5JPP
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STRUCTURE OF LIMONENE EPOXIDE HYDROLASE MUTANT - H-2-H5
Descriptor:limonene epoxide hydrolase
Authors:Li, G., Zhang, H., Sun, Z., Liu, X., Reetz, M.T.
Deposit date:2016-05-04
Release date:2016-06-15
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Multi-Parameter Optimization in Directed Evolution: Engineering Thermostability, Enantioselectivity and Activity of an Epoxide Hydrolase
To be published
5JPU
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STRUCTURE OF LIMONENE EPOXIDE HYDROLASE MUTANT - H-2-H5 COMPLEX WITH (S,S)-CYCLOHEXANE-1,2-DIOL
Descriptor:limonene epoxide hydrolase, (1S,2S)-cyclohexane-1,2-diol
Authors:Li, G., Zhang, H., Sun, Z., Liu, X., Reetz, M.T.
Deposit date:2016-05-04
Release date:2016-06-15
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Multi-Parameter Optimization in Directed Evolution: Engineering Thermostability, Enantioselectivity and Activity of an Epoxide Hydrolase
To be published
5KO7
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CRYSTAL STRUCTURE OF HALISCOMENOBACTER HYDROSSIS IODOTYROSINE DEIODINASE (IYD) BOUND TO FMN
Descriptor:Nitroreductase, FLAVIN MONONUCLEOTIDE
Authors:Ingavat, N., Kavran, J.M., Sun, Z., Rokita, S.
Deposit date:2016-06-29
Release date:2017-02-15
Last modified:2017-03-08
Method:X-RAY DIFFRACTION (2.248 Å)
Cite:Active Site Binding Is Not Sufficient for Reductive Deiodination by Iodotyrosine Deiodinase.
Biochemistry, 56, 2017
5KO8
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CRYSTAL STRUCTURE OF HALISCOMENOBACTER HYDROSSIS IODOTYROSINE DEIODINASE (IYD) BOUND TO FMN AND MONO-IODOTYROSINE (I-TYR)
Descriptor:Nitroreductase, FLAVIN MONONUCLEOTIDE, 3-IODO-TYROSINE
Authors:Ingavat, N., Kavran, J.M., Sun, Z., Rokita, S.E.
Deposit date:2016-06-29
Release date:2017-02-15
Last modified:2017-09-27
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Active Site Binding Is Not Sufficient for Reductive Deiodination by Iodotyrosine Deiodinase.
Biochemistry, 56, 2017
5KRD
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CRYSTAL STRUCTURE OF HALISCOMENOBACTER HYDROSSIS IODOTYROSINE DEIODINASE (IYD) BOUND TO FMN AND 2-IODOPHENOL (2IP)
Descriptor:Nitroreductase, FLAVIN MONONUCLEOTIDE, 2-iodanylphenol
Authors:Ingavat, N., Kavran, J.M., Sun, Z., Rokita, S.
Deposit date:2016-07-07
Release date:2017-02-15
Last modified:2017-03-08
Method:X-RAY DIFFRACTION (2.103 Å)
Cite:Active Site Binding Is Not Sufficient for Reductive Deiodination by Iodotyrosine Deiodinase.
Biochemistry, 56, 2017
5WUU
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COMPLEX STRUCTURE OF THE FIRST BROMODOMAIN OF BRD4 WITH AN INHIBITOR THAT CONTAINING A 2H-CHROMEN-2-ONE RING
Descriptor:Bromodomain-containing protein 4, ~{N}-methyl-~{N}-[3-[(2-oxidanylidenechromen-4-yl)amino]propyl]thiophene-2-carboxamide
Authors:Zhang, H., Sun, Z.Y.
Deposit date:2016-12-21
Release date:2017-04-12
Last modified:2017-06-14
Method:X-RAY DIFFRACTION (1.724 Å)
Cite:Discovery of novel BRD4 inhibitors by high-throughput screening, crystallography, and cell-based assays.
Bioorg. Med. Chem. Lett., 27, 2017
5YAO
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THE COMPLEX STRUCTURE OF SZ529 AND EXPOXID
Descriptor:Limonene-1,2-epoxide hydrolase, (1R,5S)-6-oxabicyclo[3.1.0]hexane, SODIUM ION
Authors:Lian, W., Sun, Z.T., Zhou, J.H., Reetz, M.T.
Deposit date:2017-09-01
Release date:2018-06-27
Method:X-RAY DIFFRACTION (2.611 Å)
Cite:Structural and Computational Insight into the Catalytic Mechanism of Limonene Epoxide Hydrolase Mutants in Stereoselective Transformations
J. Am. Chem. Soc., 140, 2018
5YNG
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CRYSTAL STRUCTURE OF SZ348 IN COMPLEX WITH CYCLOPENTENE OXIDE
Descriptor:Limonene-1,2-epoxide hydrolase, POTASSIUM ION, NICKEL (II) ION, ...
Authors:Wu, L., Sun, Z.T., Reetz, M.T., Zhou, J.H.
Deposit date:2017-10-24
Release date:2018-06-27
Method:X-RAY DIFFRACTION (2.497 Å)
Cite:Structural and Computational Insight into the Catalytic Mechanism of Limonene Epoxide Hydrolase Mutants in Stereoselective Transformations.
J. Am. Chem. Soc., 140, 2018