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Turning an asparaginyl endopeptidase into a peptide ligase
Descriptor:	2-acetamido-2-deoxy-beta-D-glucopyranose, Asparaginyl endopeptidase, DI(HYDROXYETHYL)ETHER
Authors:	El Sahili, A, Lescar, J.
Deposit date:	2019-12-19
Release date:	2020-10-07
Last modified:	2023-11-22
Method:	X-RAY DIFFRACTION (2 Å)
Cite:	Turning an Asparaginyl Endopeptidase into a Peptide Ligase Acs Catalysis, 10, 2020

5XC6

Dengue Virus 4 NS3 Helicase in complex with SSRNA SLA12
Descriptor:	NS3 Helicase, PHOSPHATE ION, RNA (5'-R(APGPUPUPGPUPUPAPGPUPCPU)-3')
Authors:	Swarbrick, C.M.D, Basavannacharya, C, Chan, K.W.K, Chan, S.A, Singh, D, Wei, N, Phoo, W.W, Luo, D, Lescar, J, Vasudevan, S.G.
Deposit date:	2017-03-22
Release date:	2017-11-08
Last modified:	2023-11-22
Method:	X-RAY DIFFRACTION (2.9 Å)
Cite:	NS3 helicase from dengue virus specifically recognizes viral RNA sequence to ensure optimal replication Nucleic Acids Res., 45, 2017

5XC7

Dengue Virus 4 NS3 Helicase D290A mutant
Descriptor:	CHLORIDE ION, GLYCEROL, NS3 Helicase
Authors:	Swarbrick, C.M.D, Basavannacharya, C, Chan, K.W.K, Chan, S.A, Singh, D, Wei, N, Phoo, W.W, Luo, D, Lescar, J, Vasudevan, S.G.
Deposit date:	2017-03-22
Release date:	2017-11-08
Last modified:	2023-11-22
Method:	X-RAY DIFFRACTION (2.1 Å)
Cite:	NS3 helicase from dengue virus specifically recognizes viral RNA sequence to ensure optimal replication Nucleic Acids Res., 45, 2017

5XVU

Crystal structure of the protein kinase CK2 catalytic domain from Plasmodium falciparum bound to ATP
Descriptor:	1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, ...
Authors:	El Sahili, A, Lescar, J, Ruiz-Carrillo, D, Lin, J.Q.
Deposit date:	2017-06-28
Release date:	2017-07-12
Last modified:	2023-11-22
Method:	X-RAY DIFFRACTION (3 Å)
Cite:	The protein kinase CK2 catalytic domain from Plasmodium falciparum: crystal structure, tyrosine kinase activity and inhibition. Sci Rep, 8, 2018

5ZHI

Apo crystal structure of TrmD from Mycobacterium tuberculosis
Descriptor:	tRNA (guanine-N(1)-)-methyltransferase
Authors:	Zhong, W, Pasunooti, K.K, Balamkundu, S, Wong, Y.W, Nah, Q, Liu, C.F, Lescar, J, Dedon, P.C.
Deposit date:	2018-03-13
Release date:	2019-03-06
Last modified:	2024-04-03
Method:	X-RAY DIFFRACTION (2.2 Å)
Cite:	Thienopyrimidinone Derivatives That Inhibit Bacterial tRNA (Guanine37-N1)-Methyltransferase (TrmD) by Restructuring the Active Site with a Tyrosine-Flipping Mechanism. J.Med.Chem., 62, 2019

5ZHM

Crystal structure of TrmD from Pseudomonas aeruginosa in complex with active-site inhibitor
Descriptor:	N-({4-[(diethylamino)methyl]phenyl}methyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-5-carboxamide, S-ADENOSYLMETHIONINE, tRNA (guanine-N(1)-)-methyltransferase
Authors:	Zhong, W, Pasunooti, K.K, Balamkundu, S, Wong, Y.W, Nah, Q, Liu, C.F, Lescar, J, Dedon, P.C.
Deposit date:	2018-03-13
Release date:	2019-03-06
Last modified:	2023-11-22
Method:	X-RAY DIFFRACTION (2.76 Å)
Cite:	Thienopyrimidinone Derivatives That Inhibit Bacterial tRNA (Guanine37-N1)-Methyltransferase (TrmD) by Restructuring the Active Site with a Tyrosine-Flipping Mechanism. J.Med.Chem., 62, 2019

5ZHK

Crystal structure of TrmD from Mycobacterium tuberculosis in complex with active-site inhibitor
Descriptor:	N-[(4-{[cyclohexyl(ethyl)amino]methyl}phenyl)methyl]-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-5-carboxamide, tRNA (guanine-N(1)-)-methyltransferase
Authors:	Zhong, W, Pasunooti, K.K, Balamkundu, S, Wong, Y.W, Nah, Q, Liu, C.F, Lescar, J, Dedon, P.C.
Deposit date:	2018-03-13
Release date:	2019-03-06
Last modified:	2023-11-22
Method:	X-RAY DIFFRACTION (2.3 Å)
Cite:	Thienopyrimidinone Derivatives That Inhibit Bacterial tRNA (Guanine37-N1)-Methyltransferase (TrmD) by Restructuring the Active Site with a Tyrosine-Flipping Mechanism. J.Med.Chem., 62, 2019

5ZHN

Crystal structure of TrmD from Pseudomonas aeruginosa in complex with active-site inhibitor
Descriptor:	N-({4-[(octylamino)methyl]phenyl}methyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-5-carboxamide, tRNA (guanine-N(1)-)-methyltransferase
Authors:	Zhong, W, Pasunooti, K.K, Balamkundu, S, Wong, Y.W, Nah, Q, Liu, C.F, Lescar, J, Dedon, P.C.
Deposit date:	2018-03-13
Release date:	2019-03-27
Last modified:	2023-11-22
Method:	X-RAY DIFFRACTION (2.65 Å)
Cite:	Thienopyrimidinone Derivatives That Inhibit Bacterial tRNA (Guanine37-N1)-Methyltransferase (TrmD) by Restructuring the Active Site with a Tyrosine-Flipping Mechanism. J.Med.Chem., 62, 2019

5ZHJ

Crystal structure of TrmD from Mycobacterium tuberculosis in complex with S-adenosyl homocysteine (SAH)
Descriptor:	GLYCEROL, S-ADENOSYL-L-HOMOCYSTEINE, tRNA (guanine-N(1)-)-methyltransferase
Authors:	Zhong, W, Pasunooti, K.K, Balamkundu, S, Wong, Y.W, Nah, Q, Liu, C.F, Lescar, J, Dedon, P.C.
Deposit date:	2018-03-13
Release date:	2019-03-06
Last modified:	2023-11-22
Method:	X-RAY DIFFRACTION (1.75 Å)
Cite:	Thienopyrimidinone Derivatives That Inhibit Bacterial tRNA (Guanine37-N1)-Methyltransferase (TrmD) by Restructuring the Active Site with a Tyrosine-Flipping Mechanism. J.Med.Chem., 62, 2019

5ZHL

Crystal structure of TrmD from Mycobacterium tuberculosis in complex with active-site inhibitor
Descriptor:	N-({4-[(octylamino)methyl]phenyl}methyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-5-carboxamide, tRNA (guanine-N(1)-)-methyltransferase
Authors:	Zhong, W, Pasunooti, K.K, Balamkundu, S, Wong, Y.W, Nah, Q, Liu, C.F, Lescar, J, Dedon, P.C.
Deposit date:	2018-03-13
Release date:	2019-03-06
Last modified:	2023-11-22
Method:	X-RAY DIFFRACTION (2.25 Å)
Cite:	Thienopyrimidinone Derivatives That Inhibit Bacterial tRNA (Guanine37-N1)-Methyltransferase (TrmD) by Restructuring the Active Site with a Tyrosine-Flipping Mechanism. J.Med.Chem., 62, 2019

5ZBI

Crystal structure of asparaginyl endopeptidases from Viola Canadensis
Descriptor:	Peptide asparaginyl ligase, SODIUM ION
Authors:	Wong, Y.H, Lescar, J.
Deposit date:	2018-02-12
Release date:	2018-05-09
Last modified:	2023-11-22
Method:	X-RAY DIFFRACTION (2.09 Å)
Cite:	Crystal structure of Peptide asparaginyl ligase from Viola canadensis To Be Published

7VB4

A crystal structure of alphavirus nonstructural protein 4 (nsP4) reveals an intrinsically dynamic RNA-dependent RNA polymerase
Descriptor:	GLYCEROL, MAGNESIUM ION, RNA-directed RNA polymerase nsP4
Authors:	Tan, Y.B, Luo, D.
Deposit date:	2021-08-30
Release date:	2022-02-16
Last modified:	2023-11-29
Method:	X-RAY DIFFRACTION (1.86 Å)
Cite:	Crystal structures of alphavirus nonstructural protein 4 (nsP4) reveal an intrinsically dynamic RNA-dependent RNA polymerase fold. Nucleic Acids Res., 50, 2022

7VW5

Crystal structures of alphavirus nonstructural protein 4 (nsP4) reveal an intrinsically dynamic RNA-dependent RNA polymerase fold
Descriptor:	MAGNESIUM ION, RNA-directed RNA polymerase nsP4
Authors:	Tan, Y.B, Luo, D.
Deposit date:	2021-11-09
Release date:	2022-02-16
Last modified:	2023-11-29
Method:	X-RAY DIFFRACTION (2.3 Å)
Cite:	Crystal structures of alphavirus nonstructural protein 4 (nsP4) reveal an intrinsically dynamic RNA-dependent RNA polymerase fold. Nucleic Acids Res., 50, 2022

1URZ

Low pH induced, membrane fusion conformation of the envelope protein of tick-borne encephalitis virus
Descriptor:	ENVELOPE PROTEIN
Authors:	Bressanelli, S, Rey, F.A.
Deposit date:	2003-11-16
Release date:	2004-01-29
Last modified:	2023-12-13
Method:	X-RAY DIFFRACTION (2.7 Å)
Cite:	Structure of a Flavivirus Envelope Glycoprotein in its Low-Ph-Induced Membrane Fusion Conformation. Embo J., 23, 2004

5K5M

Co-Crystal Structure of Dengue Virus Serotype 2 RNA Dependent RNA Polymerase with Compound 27
Descriptor:	2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-[5-(3-hydroxyprop-1-yn-1-yl)thiophen-2-yl]-2,4-dimethoxy-N-[(3-methoxyphenyl)sulfonyl]benzamide, RNA Dependent RNA Polymerase, ...
Authors:	Arora, R, Benson, T.E.
Deposit date:	2016-05-23
Release date:	2016-08-24
Last modified:	2024-03-06
Method:	X-RAY DIFFRACTION (2.01 Å)
Cite:	Potent Allosteric Dengue Virus NS5 Polymerase Inhibitors: Mechanism of Action and Resistance Profiling. Plos Pathog., 12, 2016

6S8C

Post-fusion conformation of the envelope protein of tick-borne encephalitis virus with longer stem
Descriptor:	Genome polyprotein,Genome polyprotein
Authors:	Vaney, M.C, Rouvinski, A, Rey, F.A.
Deposit date:	2019-07-09
Release date:	2020-05-20
Last modified:	2024-01-24
Method:	X-RAY DIFFRACTION (2.57 Å)
Cite:	Extensive flavivirus E trimer breathing accompanies stem zippering of the post-fusion hairpin. Embo Rep., 21, 2020

2MAU

Solution structure of alpha-amylase inhibitor wrightide R1 (wR1) peptide from Wrightia religiosa
Descriptor:	Wrightide R1
Authors:	Wang, S, Nguyen, Q, Tam, J.
Deposit date:	2013-07-17
Release date:	2014-07-23
Last modified:	2019-12-25
Method:	SOLUTION NMR
Cite:	Discovery and characterization of pseudocyclic cystine-knot alpha-amylase inhibitors with high resistance to heat and proteolytic degradation. Febs J., 281, 2014

4ADG

Crystal structure of the Rubella virus envelope Glycoprotein E1 in post-fusion form (crystal form II)
Descriptor:	2-acetamido-2-deoxy-beta-D-galactopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ...
Authors:	DuBois, R.M, Vaney, M.C, Tortorici, M.A, Al Kurdi, R, Barba-Spaeth, G, Rey, F.A.
Deposit date:	2011-12-26
Release date:	2013-01-09
Last modified:	2023-12-20
Method:	X-RAY DIFFRACTION (2.18 Å)
Cite:	Functional and Evolutionary Insight from the Crystal Structure of Rubella Virus Protein E1. Nature, 493, 2013

4ADI

Crystal structure of the Rubella virus envelope glycoprotein E1 in post-fusion form (crystal form I)
Descriptor:	2-acetamido-2-deoxy-beta-D-galactopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ...
Authors:	DuBois, R.M, Vaney, M.C, Tortorici, M.A, Al Kurdi, R, Barba-Spaeth, G, Rey, F.A.
Deposit date:	2011-12-26
Release date:	2013-01-09
Last modified:	2020-07-29
Method:	X-RAY DIFFRACTION (1.8 Å)
Cite:	Functional and Evolutionary Insight from the Crystal Structure of Rubella Virus Protein E1. Nature, 493, 2013

4ADJ

Crystal structure of the Rubella virus glycoprotein E1 in its post-fusion form crystallized in presence of 1mM of calcium acetate
Descriptor:	2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, CALCIUM ION, ...
Authors:	DuBois, R.M, Vaney, M.C, Tortorici, M.A, Al Kurdi, R, Barba-Spaeth, G, Rey, F.A.
Deposit date:	2011-12-26
Release date:	2013-01-09
Last modified:	2023-12-20
Method:	X-RAY DIFFRACTION (1.94 Å)
Cite:	Functional and Evolutionary Insight from the Crystal Structure of Rubella Virus Protein E1. Nature, 493, 2013

4B3V

Crystal structure of the Rubella virus glycoprotein E1 in its post-fusion form crystallized in presence of 20mM of Calcium Acetate
Descriptor:	2-acetamido-2-deoxy-beta-D-galactopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ...
Authors:	Vaney, M.C, DuBois, R.M, Tortorici, M.A, Rey, F.A.
Deposit date:	2012-07-26
Release date:	2013-01-09
Last modified:	2023-12-20
Method:	X-RAY DIFFRACTION (1.98 Å)
Cite:	Functional and Evolutionary Insight from the Crystal Structure of Rubella Virus Protein E1. Nature, 493, 2013

3PA7

Crystal structure of FKBP from plasmodium vivax in complex with tetrapeptide ALPF
Descriptor:	4-mer Peptide ALPF, 70 kDa peptidylprolyl isomerase, putative
Authors:	Balakrishna, A.M, Alag, R, Yoon, H.S.
Deposit date:	2010-10-18
Release date:	2012-02-29
Last modified:	2023-11-01
Method:	X-RAY DIFFRACTION (2.61 Å)
Cite:	Structural insights into substrate binding by PvFKBP35, a peptidylprolyl cis-trans isomerase from the human malarial parasite Plasmodium vivax EUKARYOTIC CELL, 12, 2013

4ITZ

Crystal structure of the FK506 binding domain of Plasmodium vivax FKBP35 in complex with a tetrapeptide substrate
Descriptor:	70 kDa peptidylprolyl isomerase, SULFATE ION, substrate peptide
Authors:	Sreekanth, R, Yoon, H.S.
Deposit date:	2013-01-19
Release date:	2013-03-20
Last modified:	2013-05-22
Method:	X-RAY DIFFRACTION (1.65 Å)
Cite:	Structural insights into substrate binding by PvFKBP35, a peptidylprolyl cis-trans isomerase from the human malarial parasite Plasmodium vivax. Eukaryot Cell, 12, 2013

5E6X

Re-refinement of the Crystal Structure of the Plexin-Semaphorin-Integrin Domain/Hybrid Domain/I-EGF1 Segment from the Human Integrin b2 Subunit
Descriptor:	2-acetamido-2-deoxy-beta-D-glucopyranose, Integrin beta-2
Authors:	Springer, T.A, Sen, M.
Deposit date:	2015-10-10
Release date:	2016-03-02
Last modified:	2023-09-27
Method:	X-RAY DIFFRACTION (1.75 Å)
Cite:	Leukocyte integrin alpha L beta 2 headpiece structures: The alpha I domain, the pocket for the internal ligand, and concerted movements of its loops. Proc.Natl.Acad.Sci.USA, 113, 2016

5E6W

Re-refinement of the Crystal Structure of the Plexin-Semaphorin-Integrin Domain/Hybrid Domain/I-EGF1 Segment from the Human Integrin b2 Subunit
Descriptor:	2-acetamido-2-deoxy-beta-D-glucopyranose, Integrin beta-2
Authors:	Springer, T.A, Sen, M.
Deposit date:	2015-10-10
Release date:	2016-03-02
Last modified:	2023-09-27
Method:	X-RAY DIFFRACTION (2.2 Å)
Cite:	Leukocyte integrin alpha L beta 2 headpiece structures: The alpha I domain, the pocket for the internal ligand, and concerted movements of its loops. Proc.Natl.Acad.Sci.USA, 113, 2016

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