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5WSC
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BU of 5wsc by Molmil
Crystal of pyruvate kinase (PYK) from Mycobacterium tuberculosis in complex with Oxalate, soaked with allosteric activators AMP and Glucose 6-Phosphate
Descriptor: 6-O-phosphono-alpha-D-glucopyranose, ADENOSINE MONOPHOSPHATE, MAGNESIUM ION, ...
Authors:Zhong, W, Cai, Q, El Sahili, A, Lescar, J, Dedon, P.C.
Deposit date:2016-12-06
Release date:2017-11-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Allosteric pyruvate kinase-based "logic gate" synergistically senses energy and sugar levels in Mycobacterium tuberculosis.
Nat Commun, 8, 2017
5WS9
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BU of 5ws9 by Molmil
Pyruvate kinase (PYK) from Mycobacterium tuberculosis in complex with Oxalate, ATP and allosteric activator AMP
Descriptor: ADENOSINE MONOPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Zhong, W, Cai, Q, El Sahili, A, Lescar, J, Dedon, P.C.
Deposit date:2016-12-06
Release date:2017-11-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Allosteric pyruvate kinase-based "logic gate" synergistically senses energy and sugar levels in Mycobacterium tuberculosis.
Nat Commun, 8, 2017
5XC6
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BU of 5xc6 by Molmil
Dengue Virus 4 NS3 Helicase in complex with SSRNA SLA12
Descriptor: NS3 Helicase, PHOSPHATE ION, RNA (5'-R(*AP*GP*UP*UP*GP*UP*UP*AP*GP*UP*CP*U)-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
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BU of 5xc7 by Molmil
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
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BU of 5xvu by Molmil
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
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BU of 5zhi by Molmil
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
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BU of 5zhm by Molmil
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
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BU of 5zhk by Molmil
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
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BU of 5zhn by Molmil
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
5ZHL
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BU of 5zhl by Molmil
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
5ZHJ
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BU of 5zhj by Molmil
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
5ZBI
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BU of 5zbi by Molmil
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
7BWE
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BU of 7bwe by Molmil
Consensus Chitin binding domain
Descriptor: Chitin binding beak protein 3
Authors:Mohanram, H, Miserez, A.
Deposit date:2020-04-14
Release date:2021-04-14
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structure of a consensus chitin-binding domain revealed by solution NMR.
J.Struct.Biol., 213, 2021
1URZ
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BU of 1urz by Molmil
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
3N44
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BU of 3n44 by Molmil
Crystal structure of the mature envelope glycoprotein complex (trypsin cleavage; Osmium soak) of Chikungunya virus.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, E1 envelope glycoprotein, ...
Authors:Voss, J, Vaney, M.C, Duquerroy, S, Rey, F.A.
Deposit date:2010-05-21
Release date:2010-12-01
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Glycoprotein organization of Chikungunya virus particles revealed by X-ray crystallography.
Nature, 468, 2010
4B3V
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BU of 4b3v by Molmil
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
4ADG
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BU of 4adg by Molmil
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
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BU of 4adi by Molmil
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
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BU of 4adj by Molmil
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
3PA7
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BU of 3pa7 by Molmil
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
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BU of 4itz by Molmil
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
6S8C
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BU of 6s8c by Molmil
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
5K5M
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BU of 5k5m by Molmil
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
7VW5
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BU of 7vw5 by Molmil
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
7VB4
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BU of 7vb4 by Molmil
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

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数据于2024-05-29公开中

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