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6G80
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BU of 6g80 by Molmil
Structure of Mycobacterium hassiacum MeT1 from orthorhombic crystals.
分子名称: GLYCEROL, Methyltransferase domain protein, S-ADENOSYL-L-HOMOCYSTEINE
著者Pereira, P.J.B, Ripoll-Rozada, J.
登録日2018-04-06
公開日2019-01-16
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Biosynthesis of mycobacterial methylmannose polysaccharides requires a unique 1-O-methyltransferase specific for 3-O-methylated mannosides.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
3ER3
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BU of 3er3 by Molmil
The active site of aspartic proteinases
分子名称: 6-ammonio-N-[(2R,4R,5R)-5-{[N-(tert-butoxycarbonyl)-L-phenylalanyl-3-(1H-imidazol-3-ium-4-yl)-L-alanyl]amino}-6-cyclohexyl-4-hydroxy-2-(2-methylpropyl)hexanoyl]-L-norleucylphenylalanine, ENDOTHIAPEPSIN
著者Al-Karadaghi, S, Cooper, J.B, Veerapandian, B, Hoover, D, Blundell, T.L.
登録日1991-01-02
公開日1991-04-15
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The Active Site of Aspartic Proteinases
FEBS Lett., 174, 1984
6GS8
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BU of 6gs8 by Molmil
Crystal structure of SmbA in complex with c-di-GMP
分子名称: 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), MAGNESIUM ION, Uncharacterized protein
著者Dubey, B.N, Schirmer, T.
登録日2018-06-13
公開日2019-07-31
最終更新日2022-07-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Reciprocal growth control by competitive binding of nucleotide second messengers to a metabolic switch in Caulobacter crescentus
Nat Microbiol, 2021
6GTH
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BU of 6gth by Molmil
Serial Femtosecond Crystallography at Megahertz pulse rates
分子名称: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase
著者Wiedorn, M, Oberthuer, D, Werner, N, Schubert, R, White, T.A, Mancuso, A, Perbandt, M, Betzel, C, Barty, A, Chapman, H.
登録日2018-06-18
公開日2018-10-10
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Megahertz serial crystallography.
Nat Commun, 9, 2018
6GTM
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BU of 6gtm by Molmil
Crystal structure of SmbA in complex with ppGpp.
分子名称: GUANOSINE-5',3'-TETRAPHOSPHATE, SmbA
著者Dubey, B.N, Schirmer, T.
登録日2018-06-18
公開日2019-07-03
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Reciprocal growth control by competitive binding of nucleotide second messengers to a metabolic switch in Caulobacter crescentus
Nat Microbiol, 2021
6GL6
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BU of 6gl6 by Molmil
apo [FeFe]-hydrogenase HydA1 from Chlamydomonas reinhardtii, variant C377H
分子名称: CHLORIDE ION, Fe-hydrogenase, IRON/SULFUR CLUSTER, ...
著者Kertess, L, Happe, T, Hofmann, E.
登録日2018-05-23
公開日2018-12-26
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献His-Ligation to the [4Fe-4S] Subcluster Tunes the Catalytic Bias of [FeFe] Hydrogenase.
J.Am.Chem.Soc., 141, 2019
6GZ7
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BU of 6gz7 by Molmil
Polyamide - DNA complex NMR structure
分子名称: DNA (5'-D(*CP*GP*AP*TP*GP*TP*AP*CP*AP*TP*CP*G)-3'), dimethyl-[3-[3-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[4-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[(1-propan-2-ylimidazol-2-yl)carbonylamino]pyrrol-2-yl]carbonylamino]pyrrol-2-yl]carbonylamino]pyrrol-2-yl]carbonylamino]butanoylamino]imidazol-2-yl]carbonylamino]pyrrol-2-yl]carbonylamino]pyrrol-2-yl]carbonylamino]pyrrol-2-yl]carbonylamino]propanoylamino]propyl]azanium
著者Aman, K.
登録日2018-07-03
公開日2018-11-28
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural and Kinetic Profiling of Allosteric Modulation of Duplex DNA Induced by DNA-Binding Polyamide Analogues.
Chemistry, 25, 2019
5MG0
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BU of 5mg0 by Molmil
Structure of PAS-GAF fragment of Deinococcus phytochrome by serial femtosecond crystallography
分子名称: 1,2-ETHANEDIOL, 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium -2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3- yl]propanoic acid, Bacteriophytochrome, ...
著者Burgie, E.S, Fuller, F.D, Gul, S, Miller, M.D, Young, I.D, Brewster, A.S, Clinger, J, Aller, P, Braeuer, P, Hutchison, C, Alonso-Mori, R, Kern, J, Yachandra, V.K, Yano, J, Sauter, N.K, Phillips Jr, G.N, Vierstra, R.D, Orville, A.M.
登録日2016-11-20
公開日2017-02-22
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Drop-on-demand sample delivery for studying biocatalysts in action at X-ray free-electron lasers.
Nat. Methods, 14, 2017
5MU7
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BU of 5mu7 by Molmil
Crystal Structure of the beta/delta-COPI Core Complex
分子名称: Coatomer subunit beta, Coatomer subunit delta-like protein
著者Kopp, J, Aderhold, P, Wieland, F, Sinning, I.
登録日2017-01-12
公開日2017-06-28
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.57 Å)
主引用文献9 angstrom structure of the COPI coat reveals that the Arf1 GTPase occupies two contrasting molecular environments.
Elife, 6, 2017
6AGT
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BU of 6agt by Molmil
Crystal structure of PfKRS complexed with chromone inhibitor
分子名称: COBALT (II) ION, FORMIC ACID, LYSINE, ...
著者Yogavel, M, Sharma, A, Sharma, A, Baragana, B, Walpole, C.
登録日2018-08-14
公開日2019-03-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.953 Å)
主引用文献Lysyl-tRNA synthetase as a drug target in malaria and cryptosporidiosis.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
6ALN
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BU of 6aln by Molmil
VioC L-arginine hydroxylase bound to Fe(II), 3S-hydroxy-L-arginine, and 2OG
分子名称: (2S,3S)-3-HYDROXYARGININE, 2-OXOGLUTARIC ACID, Alpha-ketoglutarate-dependent L-arginine hydroxylase, ...
著者Mitchell, A.J, Dunham, N.P, Boal, A.K.
登録日2017-08-08
公開日2017-09-06
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Visualizing the Reaction Cycle in an Iron(II)- and 2-(Oxo)-glutarate-Dependent Hydroxylase.
J. Am. Chem. Soc., 139, 2017
6ALO
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BU of 6alo by Molmil
VioC L-arginine hydroxylase bound to Fe(II), L-arginine, and a peroxysuccinate intermediate
分子名称: 4-peroxy-4-oxobutanoic acid, ARGININE, Alpha-ketoglutarate-dependent L-arginine hydroxylase, ...
著者Dunham, N.P, Mitchell, A.J, Boal, A.K.
登録日2017-08-08
公開日2017-09-06
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Visualizing the Reaction Cycle in an Iron(II)- and 2-(Oxo)-glutarate-Dependent Hydroxylase.
J. Am. Chem. Soc., 139, 2017
6GZP
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BU of 6gzp by Molmil
Llama nanobody PorM_02 structure determined at room temperature by in-situ diffraction in ChipX microfluidic device
分子名称: Nanobody
著者Roche, J, Gaubert, A, Desmyter, A, De Wijn, R, Sauter, C, Roussel, A.
登録日2018-07-04
公開日2018-07-18
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献A simple and versatile microfluidic device for efficient biomacromolecule crystallization and structural analysis by serial crystallography.
Iucrj, 6, 2019
5MG1
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BU of 5mg1 by Molmil
Structure of the photosensory module of Deinococcus phytochrome by serial femtosecond X-ray crystallography
分子名称: 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium -2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3- yl]propanoic acid, Bacteriophytochrome
著者Burgie, E.S, Fuller, F.D, Gul, S, Young, I.D, Brewster, A.S, Clinger, J, Andi, B, Stan, C, Allaire, M, Nelsen, S, Alonso-Mori, R, Phillips Jr, G.N, Sauter, N.K, Kern, J, Yachandra, V.K, Yano, J, Vierstra, R.D, Orville, A.M.
登録日2016-11-20
公開日2017-02-22
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Drop-on-demand sample delivery for studying biocatalysts in action at X-ray free-electron lasers.
Nat. Methods, 14, 2017
6A7K
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BU of 6a7k by Molmil
X-ray structure of NdhS from T. elongatus
分子名称: ACETIC ACID, Tlr0636 protein
著者Umeno, K, Misumi, Y, Tanaka, H, Kurisu, G.
登録日2018-07-03
公開日2019-01-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural adaptations of photosynthetic complex I enable ferredoxin-dependent electron transfer.
Science, 363, 2019
6H40
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BU of 6h40 by Molmil
High resolution structure of MeT1 from Mycobacterium hassiacum in complex with 3-methoxy-1,2-propanediol.
分子名称: (2~{S})-3-methoxypropane-1,2-diol, CHLORIDE ION, GLYCEROL, ...
著者Pereira, P.J.B, Ripoll-Rozada, J.
登録日2018-07-20
公開日2019-01-16
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.053 Å)
主引用文献Biosynthesis of mycobacterial methylmannose polysaccharides requires a unique 1-O-methyltransferase specific for 3-O-methylated mannosides.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
5M8E
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BU of 5m8e by Molmil
Crystal structure of a GH43 arabonofuranosidase from Weissella sp. strain 142
分子名称: Alpha-N-arabinofuranosidase, CALCIUM ION, GLYCEROL, ...
著者Linares-Pasten, J, Logan, D.T, Nordberg Karlsson, E.
登録日2016-10-28
公開日2017-05-10
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Three-dimensional structures and functional studies of two GH43 arabinofuranosidases from Weissella sp. strain 142 and Lactobacillus brevis.
FEBS J., 284, 2017
6HCN
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BU of 6hcn by Molmil
Adenovirus Type 5 Fiber Knob protein at 1.49A resolution
分子名称: 1,2-ETHANEDIOL, Fiber protein, MAGNESIUM ION
著者Rizkallah, P.J, Parker, A.L, Baker, A.T.
登録日2018-08-15
公開日2019-02-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Diversity within the adenovirus fiber knob hypervariable loops influences primary receptor interactions.
Nat Commun, 10, 2019
6HHO
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BU of 6hho by Molmil
Crystal structure of RIP1 kinase in complex with GSK547
分子名称: 6-[4-[(5~{S})-5-[3,5-bis(fluoranyl)phenyl]pyrazolidin-1-yl]carbonylpiperidin-1-yl]pyrimidine-4-carbonitrile, Receptor-interacting serine/threonine-protein kinase 1
著者Thorpe, J.H, Harris, P.A.
登録日2018-08-28
公開日2018-12-12
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.49 Å)
主引用文献RIP1 Kinase Drives Macrophage-Mediated Adaptive Immune Tolerance in Pancreatic Cancer.
Cancer Cell, 34, 2018
6ALM
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BU of 6alm by Molmil
VioC L-arginine hydroxylase bound to Fe(II), L-arginine, and 2-OXO-GLUTARIC ACID
分子名称: 2-OXOGLUTARIC ACID, ARGININE, Alpha-ketoglutarate-dependent L-arginine hydroxylase, ...
著者Dunham, N.P, Mitchell, A.J, Boal, A.K.
登録日2017-08-08
公開日2017-09-06
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Visualizing the Reaction Cycle in an Iron(II)- and 2-(Oxo)-glutarate-Dependent Hydroxylase.
J. Am. Chem. Soc., 139, 2017
6HFX
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BU of 6hfx by Molmil
Crystal structure of Extracellular Domain 1 (ECD1) of FtsX from S. pneumonie in complex with n-decyl-B-D-maltoside
分子名称: Cell division protein FtsX, DECYL-BETA-D-MALTOPYRANOSIDE
著者Alcorlo Pages, M, Martinez-Caballero, S.
登録日2018-08-22
公開日2019-04-24
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献Structure of the Large Extracellular Loop of FtsX and Its Interaction with the Essential Peptidoglycan Hydrolase PcsB in Streptococcus pneumoniae.
Mbio, 10, 2019
6ALQ
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BU of 6alq by Molmil
VioC L-arginine hydroxylase bound to Fe(II), L-arginine, and succinate
分子名称: ARGININE, Alpha-ketoglutarate-dependent L-arginine hydroxylase, FE (II) ION, ...
著者Dunham, N.P, Mitchell, A.J, Boal, A.K.
登録日2017-08-08
公開日2017-09-06
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Visualizing the Reaction Cycle in an Iron(II)- and 2-(Oxo)-glutarate-Dependent Hydroxylase.
J. Am. Chem. Soc., 139, 2017
6ALP
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BU of 6alp by Molmil
VioC L-arginine hydroxylase bound to Fe(II), 3S-hydroxy-L-arginine, and succinate
分子名称: (2S,3S)-3-HYDROXYARGININE, Alpha-ketoglutarate-dependent L-arginine hydroxylase, FE (II) ION, ...
著者Mitchell, A.J, Dunham, N.P, Boal, A.K.
登録日2017-08-08
公開日2017-09-06
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Visualizing the Reaction Cycle in an Iron(II)- and 2-(Oxo)-glutarate-Dependent Hydroxylase.
J. Am. Chem. Soc., 139, 2017
5MXS
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BU of 5mxs by Molmil
Peptide-membrane interaction between targeting and lysis
分子名称: TRP-TYR-HIS-ARG-LEU-SER-HIS-LEU-HIS-SER-ARG-LEU-GLN-ASP-NH2
著者Blatter, M.
登録日2017-01-24
公開日2017-02-22
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Peptide-Membrane Interaction between Targeting and Lysis.
ACS Chem. Biol., 12, 2017
6HCU
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BU of 6hcu by Molmil
Crystal Structure of Lysyl-tRNA Synthetase from Plasmodium falciparum bound to a difluoro cyclohexyl chromone ligand
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, HISTIDINE, ...
著者Tamjar, J, Robinson, D.A, Baragana, B, Norcross, N, Forte, B, Walpole, C, Gilbert, I.H.
登録日2018-08-16
公開日2019-04-03
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Lysyl-tRNA synthetase as a drug target in malaria and cryptosporidiosis.
Proc.Natl.Acad.Sci.USA, 116, 2019

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