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4NAX
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BU of 4nax by Molmil
Crystal structure of glutathione transferase PPUT_1760 from Pseudomonas putida, target EFI-507288, with one glutathione disulfide bound per one protein subunit
分子名称: FORMIC ACID, GLYCEROL, Glutathione S-transferase, ...
著者Patskovsky, Y, Toro, R, Bhosle, R, Hillerich, B, Seidel, R.D, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Imker, H.J, Al Obaidi, N, Stead, M, Love, J, Gerlt, J.A, Armstrong, R.N, Almo, S.C, Enzyme Function Initiative (EFI)
登録日2013-10-22
公開日2013-11-06
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.301 Å)
主引用文献Crystal structure of glutathione transferase Pput_1760 from Pseudomonas putida, target EFI-507288
To be Published
4MPG
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BU of 4mpg by Molmil
Crystal structure of human glutathione transferase theta-2, complex with glutathione and unknown ligand, target EFI-507257
分子名称: FORMIC ACID, GLUTATHIONE, Glutathione S-transferase theta-2, ...
著者Patskovsky, Y, Toro, R, Bhosle, R, Hillerich, B, Seidel, R.D, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Imker, H.J, Al Obaidi, N, Stead, M, Love, J, Gerlt, J.A, Armstrong, R.N, Almo, S.C, Enzyme Function Initiative (EFI)
登録日2013-09-12
公開日2013-09-25
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.951 Å)
主引用文献Crystal Structure of Human Glutathione S-Transferase Theta-2 (Target EFI-507257)
To be Published
4MTY
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BU of 4mty by Molmil
Structure at 1A resolution of a helical aromatic foldamer-protein complex.
分子名称: 4-(HYDROXYMERCURY)BENZOIC ACID, Carbonic anhydrase 2, GLYCEROL, ...
著者Ogayone, T, Buratto, J, Langlois D'Estaintot, B, Stupfel, M, Granier, T, Gallois, B, Huc, Y.
登録日2013-09-20
公開日2013-12-11
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Structure of a complex formed by a protein and a helical aromatic oligoamide foldamer at 2.1 a resolution.
Angew.Chem.Int.Ed.Engl., 53, 2014
5XAQ
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BU of 5xaq by Molmil
Crystal structure of Animalia-specific tRNA deacylase from Mus musculus
分子名称: Probable D-tyrosyl-tRNA(Tyr) deacylase 2
著者Kuncha, K.S, Kattula, B, Sankarnarayanan, R.
登録日2017-03-14
公開日2018-02-14
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献A chiral selectivity relaxed paralog of DTD for proofreading tRNA mischarging in Animalia
Nat Commun, 9, 2018
4N0V
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BU of 4n0v by Molmil
Crystal structure of a glutathione S-transferase domain-containing protein (Marinobacter aquaeolei VT8), Target EFI-507332
分子名称: Glutathione S-transferase, N-terminal domain
著者Kim, J, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Washington, E, Glenn, A.S, Chowdhury, S, Evans, B, Zhao, S.C, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Stead, M, Jacobson, M.P, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
登録日2013-10-02
公開日2013-10-16
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure of a glutathione S-transferase domain-containing protein (Marinobacter aquaeolei VT8), Target EFI-507332
TO BE PUBLISHED
5XNW
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BU of 5xnw by Molmil
Crystal structure of ExoY, a unique nucleotidyl cyclase toxin from Pseudomonas aeruginosa
分子名称: Adenylate cyclase ExoY, GLYCEROL, SULFATE ION
著者Khanppnavar, B, Datta, S.
登録日2017-05-24
公開日2018-05-30
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.201 Å)
主引用文献Crystal structure and substrate specificity of ExoY, a unique T3SS mediated secreted nucleotidyl cyclase toxin from Pseudomonas aeruginosa
Biochim. Biophys. Acta, 1862, 2018
5XS8
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BU of 5xs8 by Molmil
Crystal structure of solute-binding protein complexed with unsaturated chondroitin disaccharide with two sulfate groups at C-4 and C-6 positions of GalNAc
分子名称: 4-deoxy-alpha-L-threo-hex-4-enopyranuronic acid-(1-3)-2-acetamido-2-deoxy-4,6-di-O-sulfo-beta-D-galactopyranose, CALCIUM ION, Extracellular solute-binding protein family 1
著者Oiki, S, Kamochi, R, Mikami, B, Murata, K, Hashimoto, W.
登録日2017-06-12
公開日2018-01-17
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.952 Å)
主引用文献Alternative substrate-bound conformation of bacterial solute-binding protein involved in the import of mammalian host glycosaminoglycans.
Sci Rep, 7, 2017
4XSN
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BU of 4xsn by Molmil
Copper(II) bound to the Z-DNA form of d(CGCGCG)
分子名称: COPPER (II) ION, DNA (5'-D(*CP*(BGM)P*CP*GP*CP*GP)-3')
著者Rohner, M, Medina-Molner, A, Spingler, B.
登録日2015-01-22
公開日2016-02-03
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.452 Å)
主引用文献N,N,O and N,O,N Meridional cis Coordination of Two Guanines to Copper(II) by d(CGCGCG)2.
Inorg.Chem., 55, 2016
5XDS
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BU of 5xds by Molmil
Crystal structure of Mycobacterium tuberculosis HisB bound with an inhibitor
分子名称: (2S)-2-azanyl-3-(4H-1,2,4-triazol-3-yl)propanoic acid, CHLORIDE ION, Imidazoleglycerol-phosphate dehydratase, ...
著者Kumar, D, Jha, B, Ahangar, M.S, Kumar, B.B.
登録日2017-03-29
公開日2018-04-04
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Characterization of a triazole scaffold compound as an inhibitor of Mycobacterium tuberculosis imidazoleglycerol-phosphate dehydratase.
Proteins, 2021
5XET
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BU of 5xet by Molmil
Crystal structure of Mycobacterium tuberculosis methionyl-tRNA synthetase bound by methionyl-adenylate (Met-AMP)
分子名称: 1,2-ETHANEDIOL, MAGNESIUM ION, Methionine--tRNA ligase, ...
著者Wang, W, Qin, B, Wojdyla, J.A, Wang, M, Gao, X, Cui, S.
登録日2017-04-06
公開日2018-07-11
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献Structural characterization of free-state and product-stateMycobacterium tuberculosismethionyl-tRNA synthetase reveals an induced-fit ligand-recognition mechanism.
IUCrJ, 5, 2018
5X9L
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BU of 5x9l by Molmil
Recombinant thaumatin I at 0.9 Angstrom
分子名称: GLYCEROL, L(+)-TARTARIC ACID, Thaumatin I
著者Masuda, T, Okubo, K, Sugahara, M, Suzuki, M, Mikami, B.
登録日2017-03-08
公開日2018-03-14
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (0.9 Å)
主引用文献Subatomic structure of hyper-sweet thaumatin D21N mutant reveals the importance of flexible conformations for enhanced sweetness.
Biochimie, 157, 2019
5XI3
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BU of 5xi3 by Molmil
BRD4 bound with compound Bdi3
分子名称: (3~{R})-4-cyclopropyl-1,3-dimethyl-6-[[(1~{R})-1-phenylethyl]amino]-3~{H}-quinoxalin-2-one, Bromodomain-containing protein 4
著者Xiong, B, Cao, D, Li, Y.
登録日2017-04-25
公開日2018-05-02
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.674 Å)
主引用文献BRD4 bound with compound Bdi3
To Be Published
4MZW
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BU of 4mzw by Molmil
CRYSTAL STRUCTURE OF NU-CLASS GLUTATHIONE TRANSFERASE YGHU FROM Streptococcus sanguinis SK36, COMPLEX WITH GLUTATHIONE DISULFIDE, TARGET EFI-507286
分子名称: ACETATE ION, Glutathione S-Transferase, OXIDIZED GLUTATHIONE DISULFIDE
著者Patskovsky, Y, Toro, R, Bhosle, R, Hillerich, B, Seidel, R.D, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Imker, H.J, Al Obaidi, N, Stead, M, Love, J, Gerlt, J.A, Armstrong, R.N, Almo, S.C, Enzyme Function Initiative (EFI)
登録日2013-09-30
公開日2013-10-16
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystal Structure of Glutathione S-Transferase Yghu (Target Efi-507286)
To be Published
4NH4
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BU of 4nh4 by Molmil
Structure of the binary complex of a zingiber officinale double bond reductase in complex with NADP
分子名称: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Zingiber officinale double bond reductase
著者Langlois D'Estaintot, B, Buratto, J, Granier, T, Gallois, B, Willis, M.A, Sang, Y, Flores-Sanchez, I.J, Gang, D.R.
登録日2013-11-04
公開日2014-11-05
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure of zingiber officinale double bond reductase
To be Published
4NHW
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BU of 4nhw by Molmil
Crystal structure of glutathione transferase SMc00097 from Sinorhizobium meliloti, target EFI-507275, with one glutathione bound per one protein subunit
分子名称: GLUTATHIONE, Glutathione S-transferase
著者Patskovsky, Y, Toro, R, Bhosle, R, Hillerich, B, Seidel, R.D, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Imker, H.J, Al Obaidi, N, Stead, M, Love, J, Gerlt, J.A, Armstrong, R.N, Almo, S.C, Enzyme Function Initiative (EFI)
登録日2013-11-05
公開日2013-11-20
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of glutathione transferase SMc00097 from Sinorhizobium meliloti, target EFI-507275
To be Published
4XQZ
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BU of 4xqz by Molmil
Calcium(II) and copper(II) bound to the Z-DNA form of d(CGCGCG), complexed by chloride and MES
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ...
著者Rohner, M, Medina-Molner, A, Spingler, B.
登録日2015-01-20
公開日2016-01-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.151 Å)
主引用文献N,N,O and N,O,N Meridional cis Coordination of Two Guanines to Copper(II) by d(CGCGCG)2.
Inorg.Chem., 55, 2016
4EZE
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BU of 4eze by Molmil
Crystal structure of had family hydrolase t0658 from Salmonella enterica subsp. enterica serovar Typhi (Target EFI-501419)
分子名称: CHLORIDE ION, Haloacid dehalogenase-like hydrolase, SODIUM ION
著者Patskovsky, Y, Toro, R, Bhosle, R, Hillerich, B, Seidel, R.D, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Zencheck, W.D, Imker, H.J, Gerlt, J.A, Allen, K.N, Dunaway-Mariano, D, Almo, S.C, Enzyme Function Initiative (EFI)
登録日2012-05-02
公開日2012-07-25
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Crystal structure of had hydrolase t0658 from Salmonella enterica (Target EFI-501419)
To be Published
4F72
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BU of 4f72 by Molmil
Crystal structure of had family enzyme bt-2542 (target efi-501088) from Bacteroides thetaiotaomicron, asp12ala mutant, complex with magnesium and inorganic phosphate
分子名称: GLYCEROL, MAGNESIUM ION, PHOSPHATE ION, ...
著者Patskovsky, Y, Farelli, J.D, Toro, R, Bhosle, R, Hillerich, B, Seidel, R.D, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Imker, H.J, Zencheck, W.D, Gerlt, J.A, Allen, K.N, Dunaway-Mariano, D, Almo, S.C, Enzyme Function Initiative (EFI)
登録日2012-05-15
公開日2012-06-20
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal Structure of Protein Bt-2542 from Bacteroides Thetaiotaomicron (Target Efi-501088)
To be Published
5OYK
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BU of 5oyk by Molmil
Outer-membrane expressed OmpT of Vibrio cholerae
分子名称: Gram-negative porin family protein
著者van den berg, B, Pathania, M.
登録日2017-09-11
公開日2018-04-25
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Unusual Constriction Zones in the Major Porins OmpU and OmpT from Vibrio cholerae.
Structure, 26, 2018
5OWF
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BU of 5owf by Molmil
Structure of a LAO-binding protein mutant with glutamine
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLUTAMINE, ...
著者Shanmugaratnam, S, Banda-Vazquez, J, Sosa-Peinado, A, Hocker, B.
登録日2017-08-31
公開日2018-03-21
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Redesign of LAOBP to bind novel l-amino acid ligands.
Protein Sci., 27, 2018
6L8V
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BU of 6l8v by Molmil
membrane-bound Bax helix2-helix5 domain
分子名称: Apoptosis regulator BAX
著者OuYang, B, Lv, F.
登録日2019-11-07
公開日2020-11-11
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献An amphipathic Bax core dimer forms part of the apoptotic pore wall in the mitochondrial membrane.
Embo J., 40, 2021
6L0L
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BU of 6l0l by Molmil
Hydra-1ubq de nova designed by Hydra based on ubiquitin
分子名称: Hydra-1ubq
著者Ouyang, B.
登録日2019-09-26
公開日2020-09-30
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Multiobjective heuristic algorithm for de novo protein design in a quantified continuous sequence space.
Comput Struct Biotechnol J, 19, 2021
4F71
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Crystal structure of had family enzyme bt-2542 (target efi-501088) from Bacteroides thetaiotaomicron, wild-type protein, complex with magnesium and inorganic phosphate
分子名称: CHLORIDE ION, GLYCEROL, MAGNESIUM ION, ...
著者Patskovsky, Y, Toro, R, Bhosle, R, Hillerich, B, Seidel, R.D, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Zencheck, W.D, Imker, H.J, Gerlt, J.A, Allen, K.N, Dunaway-Mariano, D, Almo, S.C, Enzyme Function Initiative (EFI)
登録日2012-05-15
公開日2012-06-20
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Crystal Structure of Protein Bt-2542 from Bacteroides Thetaiotaomicron (Target Efi-501088)
To be Published
4F4R
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BU of 4f4r by Molmil
Crystal structure of D-mannonate dehydratase homolog from Chromohalobacter salexigens (Target EFI-502114), with bound NA, ordered loop
分子名称: CHLORIDE ION, D-mannonate dehydratase, GLYCEROL, ...
著者Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI), Medical Structural Genomics of Pathogenic Protozoa (MSGPP)
登録日2012-05-11
公開日2012-06-27
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of D-mannonate dehydratase homolog from Chromohalobacter salexigens (Target EFI-502114), with bound NA, ordered loop
to be published
6R9K
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A quadruplex hybrid structure with lpp loop orientation and 3 syn residues
分子名称: DNA (25-MER)
著者Karg, B, Weisz, K.
登録日2019-04-03
公開日2019-07-03
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Duplex-Guided Refolding into Novel G-Quadruplex (3+1) Hybrid Conformations.
Angew.Chem.Int.Ed.Engl., 58, 2019

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