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5X4W
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MUTANT HUMAN THYMIDYLATE SYNTHASE A191K CRYSTALLIZED IN A SULFATE-FREE CONDITION
Descriptor:Thymidylate synthase, PHOSPHATE ION
Authors:Chen, D., Jansson, A., Larsson, A., Nordlund, P.
Deposit date:2017-02-14
Release date:2017-06-28
Last modified:2017-08-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural analyses of human thymidylate synthase reveal a site that may control conformational switching between active and inactive states
J. Biol. Chem., 292, 2017
5X4X
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MUTANT HUMAN THYMIDYLATE SYNTHASE A191K CRYSTALLIZED IN A SULFATE-CONTAINING CONDITION
Descriptor:Thymidylate synthase, SULFATE ION
Authors:Chen, D., Jansson, A., Larsson, A., Nordlund, P.
Deposit date:2017-02-14
Release date:2017-06-28
Last modified:2017-08-30
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Structural analyses of human thymidylate synthase reveal a site that may control conformational switching between active and inactive states
J. Biol. Chem., 292, 2017
5X4Y
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MUTANT HUMAN THYMIDYLATE SYNTHASE M190K CRYSTALLIZED IN A SULFATE-CONTAINING CONDITION
Descriptor:Thymidylate synthase, SULFATE ION
Authors:Chen, D., Jansson, A., Larsson, A., Nordlund, P.
Deposit date:2017-02-14
Release date:2017-06-28
Last modified:2017-08-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural analyses of human thymidylate synthase reveal a site that may control conformational switching between active and inactive states
J. Biol. Chem., 292, 2017
5X5A
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HUMAN THYMIDYLATE SYNTHASE BOUND WITH PHOSPHATE ION
Descriptor:Thymidylate synthase, PHOSPHATE ION
Authors:Chen, D., Jansson, A., Larsson, A., Nordlund, P.
Deposit date:2017-02-15
Release date:2017-06-28
Last modified:2017-08-30
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Structural analyses of human thymidylate synthase reveal a site that may control conformational switching between active and inactive states
J. Biol. Chem., 292, 2017
5X5D
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HUMAN THYMIDYLATE SYNTHASE BOUND WITH DUMP
Descriptor:Thymidylate synthase, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE
Authors:Chen, D., Jansson, A., Larsson, A., Nordlund, P.
Deposit date:2017-02-15
Release date:2017-06-28
Last modified:2017-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural analyses of human thymidylate synthase reveal a site that may control conformational switching between active and inactive states
J. Biol. Chem., 292, 2017
5X5Q
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HUMAN THYMIDYLATE SYNTHASE COMPLEXED WITH DUMP AND RALTITREXED
Descriptor:Thymidylate synthase, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, TOMUDEX
Authors:Chen, D., Jansson, A., Larsson, A., Nordlund, P.
Deposit date:2017-02-17
Release date:2017-06-28
Last modified:2017-08-30
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Structural analyses of human thymidylate synthase reveal a site that may control conformational switching between active and inactive states
J. Biol. Chem., 292, 2017
5X66
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HUMAN THYMIDYLATE SYNTHASE IN COMPLEX WITH DUMP AND METHOTREXATE
Descriptor:Thymidylate synthase, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, METHOTREXATE
Authors:Chen, D., Jansson, A., Larsson, A., Nordlund, P.
Deposit date:2017-02-21
Release date:2017-06-28
Last modified:2017-08-30
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Structural analyses of human thymidylate synthase reveal a site that may control conformational switching between active and inactive states
J. Biol. Chem., 292, 2017
5X67
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HUMAN THYMIDYLATE SYNTHASE IN COMPLEX WITH DUMP AND NOLATREXED
Descriptor:Thymidylate synthase, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2-azanyl-6-methyl-5-pyridin-4-ylsulfanyl-3H-quinazolin-4-one
Authors:Chen, D., Jansson, A., Larsson, A., Nordlund, P.
Deposit date:2017-02-21
Release date:2017-06-28
Last modified:2017-08-30
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Structural analyses of human thymidylate synthase reveal a site that may control conformational switching between active and inactive states.
J. Biol. Chem., 292, 2017
5X69
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HUMAN THYMIDYLATE SYNTHASE WITH A FRAGMENT BOUND IN THE DIMER INTERFACE
Descriptor:Thymidylate synthase, 1-(5-methoxy-1H-indol-3-yl)-N,N-dimethyl-methanamine, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE
Authors:Chen, D., Jansson, A., Larsson, A., Nordlund, P.
Deposit date:2017-02-21
Release date:2017-06-28
Last modified:2017-08-30
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Structural analyses of human thymidylate synthase reveal a site that may control conformational switching between active and inactive states
J. Biol. Chem., 292, 2017
4L0C
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CRYSTAL STRUCTURE OF THE N-FOPMYLMALEAMIC ACID DEFORMYLASE NFO(S94A) FROM PSEUDOMONAS PUTIDA S16
Descriptor:Deformylase, ACETIC ACID, DI(HYDROXYETHYL)ETHER
Authors:Chen, D., Lu, Y., Zhang, Z., Wu, G., Xu, P.
Deposit date:2013-05-31
Release date:2014-06-04
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal structure of the N-Fopmylmaleamic acid deformylase Nfo from Pseudomonas putida S16
To be Published
6J14
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COMPLEX STRUCTURE OF GY-14 AND PD-1
Descriptor:GY-14 heavy chain V fragment, GY-14 light chain V fragment, Programmed cell death protein 1
Authors:Chen, D., Tan, S., Whang, H., Zhang, H., Chai, Y., Qi, J., Yan, J., Gao, G.F.
Deposit date:2018-12-27
Release date:2019-11-06
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:The FG Loop of PD-1 Serves as a "Hotspot" for Therapeutic Monoclonal Antibodies in Tumor Immune Checkpoint Therapy.
Iscience, 14, 2019
6J15
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COMPLEX STRUCTURE OF GY-5 FAB AND PD-1
Descriptor:Programmed cell death protein 1, GY-5 heavy chain Fab, GY-5 light chain Fab, ...
Authors:Chen, D., Tan, S., Zhang, H., Wang, H., Chai, Y., Qi, J., Yan, J., Gao, G.F.
Deposit date:2018-12-27
Release date:2019-11-06
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The FG Loop of PD-1 Serves as a "Hotspot" for Therapeutic Monoclonal Antibodies in Tumor Immune Checkpoint Therapy.
Iscience, 14, 2019
6K04
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CRYSTAL STRUCTURE OF BRD2(BD2)WITH LIGAND BY27 BOUND
Descriptor:Bromodomain-containing protein 2, (6~{R})-~{N}-(4-chlorophenyl)-1-methyl-8-(1-methylpyrazol-4-yl)-5,6-dihydro-4~{H}-[1,2,4]triazolo[4,3-a][1]benzazepin-6-amine
Authors:Lu, T., Lu, W., Chen, D., Zhao, Y., Luo, C.
Deposit date:2019-05-05
Release date:2019-09-18
Method:X-RAY DIFFRACTION (1.251 Å)
Cite:Discovery, structural insight, and bioactivities of BY27 as a selective inhibitor of the second bromodomains of BET proteins.
Eur.J.Med.Chem., 182, 2019
6K05
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CRYSTAL STRUCTURE OF BRD2(BD1)WITH LIGAND BY27 BOUND
Descriptor:Bromodomain-containing protein 2, (6~{R})-~{N}-(4-chlorophenyl)-1-methyl-8-(1-methylpyrazol-4-yl)-5,6-dihydro-4~{H}-[1,2,4]triazolo[4,3-a][1]benzazepin-6-amine, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID
Authors:Lu, T., Lu, W., Chen, D., Zhao, Y., Luo, C.
Deposit date:2019-05-05
Release date:2019-09-18
Last modified:2019-09-25
Method:X-RAY DIFFRACTION (1.935 Å)
Cite:Discovery, structural insight, and bioactivities of BY27 as a selective inhibitor of the second bromodomains of BET proteins.
Eur.J.Med.Chem., 182, 2019
5WRN
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HUMAN THYMIDYLATE SYNTHASE COMPLEXED WITH DCMP
Descriptor:Thymidylate synthase, 2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE
Authors:Chen, D., Nordlund, P.
Deposit date:2016-12-02
Release date:2016-12-14
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Human thymidylate synthase complexed with dCMP
To Be Published
4FQ5
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CRYSTAL STRUCTURE OF THE MALEATE ISOMERASE ISO(C200A) FROM PSEUDOMONAS PUTIDA S16 WITH MALEATE
Descriptor:Maleate cis-trans isomerase, MALEIC ACID
Authors:Lu, Y., Chen, D., Zhang, Z., Li, Q., Wu, G., Xu, P.
Deposit date:2012-06-25
Release date:2013-07-24
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural and computational studies of the maleate isomerase from Pseudomonas putida S16 reveal a breathing motion wrapping the substrate inside.
Mol.Microbiol., 87, 2013
4FQ7
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CRYSTAL STRUCTURE OF THE MALEATE ISOMERASE ISO FROM PSEUDOMONAS PUTIDA S16
Descriptor:Maleate cis-trans isomerase
Authors:Lu, Y., Chen, D., Zhang, Z., Li, Q., Wu, G., Xu, P.
Deposit date:2012-06-25
Release date:2013-07-24
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural and computational studies of the maleate isomerase from Pseudomonas putida S16 reveal a breathing motion wrapping the substrate inside.
Mol.Microbiol., 87, 2013
5HS3
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HUMAN THYMIDYLATE SYNTHASE COMPLEXED WITH DUMP AND 3-AMINO-2-BENZOYL-4-METHYLTHIENO[2,3-B]PYRIDIN-6-OL
Descriptor:Thymidylate synthase, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 3-amino-2-benzoyl-4-methylthieno[2,3-b]pyridin-6-ol
Authors:Chen, D., Almqvist, H., Axelsson, H., Jafari, R., Mateus, A., Haraldsson, M., Larsson, A., Artursson, P., Molina, D.M., Lundback, T., Nordlund, P.
Deposit date:2016-01-25
Release date:2016-02-24
Last modified:2020-02-19
Method:X-RAY DIFFRACTION (3.103 Å)
Cite:CETSA screening identifies known and novel thymidylate synthase inhibitors and slow intracellular activation of 5-fluorouracil
Nat Commun, 7, 2016
5ZNC
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PLASMODIUM FALCIPARUM PURINE NUCLEOSIDE PHOSPHORYLASE IN COMPLEX WITH QUININE
Descriptor:Purine nucleoside phosphorylase, Quinine, PHOSPHATE ION
Authors:Chen, D., Nordlund, P.
Deposit date:2018-04-08
Release date:2019-01-16
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Identifying purine nucleoside phosphorylase as the target of quinine using cellular thermal shift assay.
Sci Transl Med, 11, 2019
5ZNI
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PLASMODIUM FALCIPARUM PURINE NUCLEOSIDE PHOSPHORYLASE IN COMPLEX WITH MEFLOQUINE
Descriptor:Purine nucleoside phosphorylase, PHOSPHATE ION, Mefloquine
Authors:Chen, D., Nordlund, P., Dziekan, J.M.
Deposit date:2018-04-09
Release date:2019-01-16
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Identifying purine nucleoside phosphorylase as the target of quinine using cellular thermal shift assay.
Sci Transl Med, 11, 2019
6DTN
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THE STRUCTURE OF NTMT1 IN COMPLEX WITH COMPOUND DC100-1
Descriptor:N-terminal Xaa-Pro-Lys N-methyltransferase 1, (6D6)PPKRIA(NH2), DC100-1
Authors:Noinaj, N., Chen, D., Huang, R.
Deposit date:2018-06-18
Release date:2019-04-03
Last modified:2019-12-04
Method:X-RAY DIFFRACTION (1.475 Å)
Cite:Discovery of Bisubstrate Inhibitors for Protein N-Terminal Methyltransferase 1.
J. Med. Chem., 62, 2019
6PVE
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STRUCTURE OF NICOTINAMIDE N-METHYLTRANSFERASE (NNMT) IN COMPLEX WITH INHIBITOR LL319
Descriptor:NNMT protein, 9-(5-{[(3S)-3-amino-3-carboxypropyl][3-(3-carbamoylphenyl)propyl]amino}-5-deoxy-alpha-D-ribofuranosyl)-9H-purin-6-amine
Authors:Noinaj, N., Huang, R., Chen, D., Yadav, R.
Deposit date:2019-07-20
Release date:2019-11-27
Last modified:2019-12-25
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Novel Propargyl-Linked Bisubstrate Analogues as Tight-Binding Inhibitors for NicotinamideN-Methyltransferase.
J.Med.Chem., 62, 2019
6PVS
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STRUCTURE OF NICOTINAMIDE N-METHYLTRANSFERASE (NNMT) IN COMPLEX WITH INHIBITOR LL320
Descriptor:NNMT protein, 9-(5-{[(3R)-3-amino-3-carboxypropyl][3-(3-carbamoylphenyl)prop-2-yn-1-yl]amino}-5-deoxy-alpha-D-lyxofuranosyl)-9H-purin-6-amine
Authors:Noinaj, N., Huang, R., Chen, D., Yadav, R.
Deposit date:2019-07-21
Release date:2019-11-27
Last modified:2019-12-25
Method:X-RAY DIFFRACTION (2.575 Å)
Cite:Novel Propargyl-Linked Bisubstrate Analogues as Tight-Binding Inhibitors for NicotinamideN-Methyltransferase.
J.Med.Chem., 62, 2019
4G1T
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CRYSTAL STRUCTURE OF INTERFERON-STIMULATED GENE 54
Descriptor:Interferon-induced protein with tetratricopeptide repeats 2
Authors:Yang, Z., Liang, H., Zhou, Q., Li, Y., Chen, H., Ye, W., Chen, D., Fleming, J., Shu, H., Liu, Y.
Deposit date:2012-07-11
Release date:2012-08-15
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of ISG54 reveals a novel RNA binding structure and potential functional mechanisms.
Cell Res., 2012
1XAV
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MAJOR G-QUADRUPLEX STRUCTURE FORMED IN HUMAN C-MYC PROMOTER, A MONOMERIC PARALLEL-STRANDED QUADRUPLEX
Descriptor:5'-D(*TP*GP*AP*GP*GP*GP*TP*GP*GP*GP*TP*AP*GP*GP*GP*TP*GP*GP*GP*TP*AP*A)-3', POTASSIUM ION
Authors:Ambrus, A., Chen, D., Dai, J., Jones, R.A., Yang, D.
Deposit date:2004-08-26
Release date:2005-02-01
Last modified:2014-09-17
Method:SOLUTION NMR
Cite:Solution structure of the biologically relevant G-Quadruplex element in the human c-MYC promoter. Implications for G-quadruplex stabilization.
Biochemistry, 44, 2005