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8KE3
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BU of 8ke3 by Molmil
PylRS C-terminus domain mutant bound with D-3-trifluoromethylphenylalanine and AMPNP
分子名称: (2R)-2-azanyl-3-[3-(trifluoromethyl)phenyl]propanoic acid, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
著者Weng, J.H, Tsai, M.D, Wang, Y.S.
登録日2023-08-11
公開日2023-11-01
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.89980984 Å)
主引用文献Rational design of the genetic code expansion toolkit for in vivo encoding of D-amino acids.
Front Genet, 14, 2023
8KE5
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PylRS C-terminus domain mutant bound with D-3-chlorophenylalanine and AMPNP
分子名称: (2R)-2-azanyl-3-(3-chlorophenyl)propanoic acid, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
著者Weng, J.H, Tsai, M.D, Wang, Y.S.
登録日2023-08-11
公開日2023-11-01
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.900073 Å)
主引用文献Rational design of the genetic code expansion toolkit for in vivo encoding of D-amino acids.
Front Genet, 14, 2023
8KE4
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BU of 8ke4 by Molmil
PylRS C-terminus domain mutant bound with D-3-bromophenylalanine and AMPNP
分子名称: (2R)-2-azanyl-3-(3-bromophenyl)propanoic acid, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
著者Weng, J.H, Tsai, M.D, Wang, Y.S.
登録日2023-08-11
公開日2023-11-01
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.75050962 Å)
主引用文献Rational design of the genetic code expansion toolkit for in vivo encoding of D-amino acids.
Front Genet, 14, 2023
8G97
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BU of 8g97 by Molmil
Adenylation domain structure from NRPS-like Delta-Poly-L-Ornithine synthetase (D-Ornithine bound)
分子名称: D-ORNITHINE, Dimodular nonribosomal peptide synthase, GLYCEROL, ...
著者Patel, K.D, Gulick, A.M.
登録日2023-02-21
公開日2023-10-04
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献Structural and functional insights into delta-poly-L-ornithine polymer biosynthesis from Acinetobacter baumannii.
Commun Biol, 6, 2023
7VFL
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BU of 7vfl by Molmil
Crystal structure of SdgB (UDP, NAG, and O-glycosylated SD peptide-binding form)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Glycosyl transferase, group 1 family protein, ...
著者Kim, D.-G, Baek, I, Lee, Y, Kim, H.S.
登録日2021-09-13
公開日2021-11-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Structural basis for SdgB- and SdgA-mediated glycosylation of staphylococcal adhesive proteins.
Acta Crystallogr D Struct Biol, 77, 2021
6R2J
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BU of 6r2j by Molmil
Crystal Structure of Pseudomonas stutzeri endoglucanase Cel5A in complex with cellobiose
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Endoglucanase(Endo-1,4-beta-glucanase)protein, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose
著者Dutoit, R, Delsaute, M, Berlemont, R, Van Elder, D, Galleni, M, Bauvois, C.
登録日2019-03-18
公開日2020-01-29
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献Crystal structure determination of Pseudomonas stutzeri A1501 endoglucanase Cel5A: the search for a molecular basis for glycosynthesis in GH5_5 enzymes.
Acta Crystallogr D Struct Biol, 75, 2019
4TPL
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BU of 4tpl by Molmil
West Nile Virus Non-structural protein 1 (NS1) Form 1 crystal
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, OXTOXYNOL-10, ...
著者Akey, D.L, Smith, J.L.
登録日2014-06-08
公開日2014-10-15
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Use of massively multiple merged data for low-resolution S-SAD phasing and refinement of flavivirus NS1.
Acta Crystallogr.,Sect.D, 70, 2014
7RUN
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BU of 7run by Molmil
Crystal structure of phosphorylated RET tyrosine kinase domain complexed with a pyrrolo[2,3-d]pyrimidine inhibitor.
分子名称: 1-(4-{(1s,3s)-3-[4-amino-5-(3-amino-4-chlorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl]cyclobutyl}piperazin-1-yl)ethan-1-one, CHLORIDE ION, Proto-oncogene tyrosine-protein kinase receptor Ret
著者Lee, C.C, Spraggon, G.
登録日2021-08-17
公開日2022-01-19
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (3.51 Å)
主引用文献Antitarget Selectivity and Tolerability of Novel Pyrrolo[2,3- d ]pyrimidine RET Inhibitors.
Acs Med.Chem.Lett., 12, 2021
5LOC
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BU of 5loc by Molmil
Crystal structure of the engineered D-Amino Acid Dehydrogenase (DAADH)
分子名称: Meso-diaminopimelate D-dehydrogenase
著者Dunstan, M.S, Gahloth, D.
登録日2016-08-09
公開日2017-08-16
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Single-biocatalyst synthesis of enantiopure D-arylalanines exploiting an engineered D-amino acid dehydrogenase
To Be Published
5E65
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The complex structure of Hemagglutinin-esterase-fusion mutant protein from the influenza D virus with receptor analog 9-O-Ac-3'SLN (Tr322)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 9-O-acetyl-5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosonic acid-(2-3)-beta-D-galactopyranose, ...
著者Song, H, Qi, J, Shi, Y, Gao, G.F.
登録日2015-10-09
公開日2016-03-23
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献An Open Receptor-Binding Cavity of Hemagglutinin-Esterase-Fusion Glycoprotein from Newly-Identified Influenza D Virus: Basis for Its Broad Cell Tropism
PLoS Pathog., 12, 2016
5E64
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Hemagglutinin-esterase-fusion protein structure of influenza D virus
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CACODYLATE ION, ...
著者Song, H, Qi, J, Shi, Y, Gao, G.F.
登録日2015-10-09
公開日2016-03-23
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献An Open Receptor-Binding Cavity of Hemagglutinin-Esterase-Fusion Glycoprotein from Newly-Identified Influenza D Virus: Basis for Its Broad Cell Tropism
PLoS Pathog., 12, 2016
6D5Q
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BU of 6d5q by Molmil
Hexagonal thermolysin cryocooled to 100 K with 30% xylose as cryoprotectant
分子名称: CALCIUM ION, LYSINE, Thermolysin, ...
著者Juers, D.H.
登録日2018-04-19
公開日2018-09-19
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.00016141 Å)
主引用文献The impact of cryosolution thermal contraction on proteins and protein crystals: volumes, conformation and order.
Acta Crystallogr D Struct Biol, 74, 2018
6D5R
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BU of 6d5r by Molmil
Hexagonal thermolysin cryocooled to 100 K with 50% xylose as cryoprotectant
分子名称: CALCIUM ION, LYSINE, Thermolysin, ...
著者Juers, D.H.
登録日2018-04-19
公開日2018-09-19
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.00002122 Å)
主引用文献The impact of cryosolution thermal contraction on proteins and protein crystals: volumes, conformation and order.
Acta Crystallogr D Struct Biol, 74, 2018
6D5N
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BU of 6d5n by Molmil
Hexagonal thermolysin (295) in the presence of 50% xylose
分子名称: CALCIUM ION, LYSINE, Thermolysin, ...
著者Juers, D.H.
登録日2018-04-19
公開日2018-10-31
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.00003672 Å)
主引用文献The impact of cryosolution thermal contraction on proteins and protein crystals: volumes, conformation and order.
Acta Crystallogr D Struct Biol, 74, 2018
7KWO
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BU of 7kwo by Molmil
rFVIIIFc-VWF-XTEN (BIVV001)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, COPPER (II) ION, ...
著者Fuller, J.R, Batchelor, J.D.
登録日2020-12-01
公開日2021-03-03
最終更新日2021-06-09
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Molecular determinants of the factor VIII/von Willebrand factor complex revealed by BIVV001 cryo-electron microscopy.
Blood, 137, 2021
5LOA
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BU of 5loa by Molmil
Crystal structure of the engineered D-Amino Acid Dehydrogenase (DAADH) bound to NADP+
分子名称: Meso-diaminopimelate D-dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Dunstan, M.S, Gahloth, D.
登録日2016-08-09
公開日2017-08-16
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Single-biocatalyst synthesis of enantiopure D-arylalanines exploiting an engineered D-amino acid dehydrogenase
To Be Published
8J65
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BU of 8j65 by Molmil
the structure of L,D-transpeptidase LdtMt2 complex with citrate
分子名称: CITRIC ACID, L,D-transpeptidase 2
著者Li, D.F, Qin, Y.L.
登録日2023-04-24
公開日2024-05-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Citrate interacts with L,D-transpeptidase and hinders the growth of Mycobacterium
To Be Published
6DZF
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BU of 6dzf by Molmil
Orthorhombic trypsin cryocooled to 100 K with 20% xylose as cryoprotectant
分子名称: BENZAMIDINE, CALCIUM ION, Cationic trypsin, ...
著者Juers, D.H.
登録日2018-07-03
公開日2018-09-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The impact of cryosolution thermal contraction on proteins and protein crystals: volumes, conformation and order.
Acta Crystallogr D Struct Biol, 74, 2018
6U1K
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BU of 6u1k by Molmil
Thermus thermophilus D-alanine-D-alanine ligase in complex with ADP, carbonate, D-alanine-D-alanine, Mg2+ and K+
分子名称: ADENOSINE-5'-DIPHOSPHATE, CARBONATE ION, D-ALANINE, ...
著者Pederick, J.L, Bruning, J.B.
登録日2019-08-15
公開日2020-05-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献d-Alanine-d-alanine ligase as a model for the activation of ATP-grasp enzymes by monovalent cations.
J.Biol.Chem., 295, 2020
6QUG
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BU of 6qug by Molmil
GHK tagged MBP-Nup98(1-29)
分子名称: COPPER (II) ION, Maltodextrin-binding protein,Nucleoporin, putative, ...
著者Huyton, T, Gorlich, D.
登録日2019-02-27
公開日2020-05-27
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献The copper(II)-binding tripeptide GHK, a valuable crystallization and phasing tag for macromolecular crystallography.
Acta Crystallogr D Struct Biol, 76, 2020
8VSH
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BU of 8vsh by Molmil
Crystal structure of Shewanella benthica Group 1 truncated hemoglobin C51S C71S variant with trans heme D
分子名称: Group 1 truncated hemoglobin, {3-[(2R,5'R)-9',14'-diethenyl-5'-hydroxy-5',10',15',19'-tetramethyl-5-oxo-4,5-dihydro-3H-spiro[furan-2,4'-[21,22,23,24]tetraazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa[1,3(24),6,8,10,12,14,16(22),17,19]decaen]-20'-yl-kappa~4~N~21'~,N~22'~,N~23'~,N~24'~]propanoato}iron
著者Lecomte, J.T.J, Martinez, J.E, Schlessman, J.L, Schultz, T.D, Siegler, M.A.
登録日2024-01-24
公開日2024-04-03
最終更新日2024-07-17
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Heme d formation in a Shewanella benthica hemoglobin.
J.Inorg.Biochem., 259, 2024
8S65
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BU of 8s65 by Molmil
1-deoxy-D-xylulose 5-phosphate reductoisomerase (DXR) as target for anti Toxoplasma gondii compounds: crystal structure, biochemical characterization and biological evaluation of inhibitors
分子名称: 1-deoxy-D-xylulose-5-phosphate reductoisomerase, 3-[FORMYL(HYDROXY)AMINO]PROPYLPHOSPHONIC ACID, CHLORIDE ION, ...
著者Mazzone, F, Hoeppner, A, Reiners, J, Applegate, V, Abdullaziz, M, Gottstein, J, Wesemann, M, Kurz, T, Smits, S.H, Pfeffer, K.
登録日2024-02-26
公開日2024-08-21
最終更新日2024-09-04
実験手法SOLUTION SCATTERING (2.56 Å), X-RAY DIFFRACTION
主引用文献1-Deoxy-d-xylulose 5-phosphate reductoisomerase as target for anti Toxoplasma gondii agents: crystal structure, biochemical characterization and biological evaluation of inhibitors.
Biochem.J., 481, 2024
6F6Y
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BU of 6f6y by Molmil
Crystal structure of galectin-3 CRD in complex with galactopentaose
分子名称: Galectin-3, beta-D-galactopyranose-(1-4)-beta-D-galactopyranose
著者Hakansson, M, Andersen, M.C.F, Clausen, M.H, Logan, D.T.
登録日2017-12-06
公開日2018-12-19
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献Beta-(1-4)-d-galactans: synthesis and binding interactions with galectin-3
To Be Published
7ZA1
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BU of 7za1 by Molmil
GPC3-Unc5D octamer structure and role in cell migration
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Glypican-3, ...
著者Akkermans, O, Delloye-Bourgeois, C, Peregrina, C, Carrasquero, M, Kokolaki, M, Berbeira-Santana, M, Chavent, M, Reynaud, F, Ritu, R, Agirre, J, Aksu, M, White, E, Lowe, E, Ben Amar, D, Zaballa, S, Huo, J, Pakos, I, McCubbin, P, Comoletti, D, Owens, R, Robinson, C, Castellani, V, del Toro, D, Seiradake, E.
登録日2022-03-21
公開日2022-11-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (4.1 Å)
主引用文献GPC3-Unc5 receptor complex structure and role in cell migration.
Cell, 185, 2022
6D5P
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BU of 6d5p by Molmil
Hexagonal thermolysin cryocooled to 100 K with 20% xylose as cryoprotectant
分子名称: CALCIUM ION, LYSINE, Thermolysin, ...
著者Juers, D.H.
登録日2018-04-19
公開日2018-09-19
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (3.00010872 Å)
主引用文献The impact of cryosolution thermal contraction on proteins and protein crystals: volumes, conformation and order.
Acta Crystallogr D Struct Biol, 74, 2018

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