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7AF2
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BU of 7af2 by Molmil
Salmonella typhimurium neuraminidase mutant (D62G)
分子名称: GLYCEROL, PHOSPHATE ION, Sialidase
著者Salinger, M.T, Kuhn, P, Laver, W.G, Pape, T, Schneider, T.R, Sheldrick, G.M, Vimr, E.R, Garman, E.F.
登録日2020-09-19
公開日2020-09-30
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (0.792 Å)
主引用文献Salmonella typhimurium neuraminidase mutant (D62G)
To Be Published
6KL0
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BU of 6kl0 by Molmil
Crystal structure of the S65T/F99S/M153T/V163A variant of perdeuterated GFP at pD 7.0
分子名称: Green fluorescent protein
著者Tai, Y, Takaba, K, Hanazono, Y, Miki, K, Takeda, K.
登録日2019-07-28
公開日2019-12-11
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (0.798 Å)
主引用文献X-ray crystallographic studies on the hydrogen isotope effects of green fluorescent protein at sub-angstrom resolutions
Acta Crystallogr.,Sect.D, 75, 2019
5MNK
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BU of 5mnk by Molmil
Cationic trypsin in complex with benzylamine (deuterated sample at 100 K)
分子名称: BENZYLAMINE, CALCIUM ION, Cationic trypsin, ...
著者Schiebel, J, Heine, A, Klebe, G.
登録日2016-12-13
公開日2018-01-17
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (0.799 Å)
主引用文献Cationic trypsin in complex with benzylamine (deuterated sample at 100 K)
to be published
8RT2
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BU of 8rt2 by Molmil
Hen Egg White Lysozyme Crystallized with Bioassembler on Earth
分子名称: 10-((2R)-2-HYDROXYPROPYL)-1,4,7,10-TETRAAZACYCLODODECANE 1,4,7-TRIACETIC ACID, CHLORIDE ION, GADOLINIUM ATOM, ...
著者MacCarthy, C, Koudan, E.V, Petrov, S.V, Levin, A.A, Khesuani, Y.D, Borshchevskiy, V.
登録日2024-01-25
公開日2024-03-27
実験手法X-RAY DIFFRACTION (0.8 Å)
主引用文献Hen Egg White Lysozyme Crystallized with Bioassembler on Earth
To Be Published
4LB3
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BU of 4lb3 by Molmil
Crystal structure of human AR complexed with NADP+ and {5-chloro-2-[(2-fluoro-4-iodobenzyl)carbamoyl]phenoxy}acetic acid
分子名称: Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, {5-chloro-2-[(2-fluoro-4-iodobenzyl)carbamoyl]phenoxy}acetic acid
著者Cousido-Siah, A, Mitschler, A, Ruiz, F.X, Fanfrlik, J, Kolar, M, Hobza, P, Podjarny, A.
登録日2013-06-20
公開日2014-04-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (0.8 Å)
主引用文献Modulation of aldose reductase inhibition by halogen bond tuning.
Acs Chem.Biol., 8, 2013
6UF7
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BU of 6uf7 by Molmil
S2 symmetric peptide design number 5, Uncle Fester
分子名称: S2-5, Uncle Fester
著者Mulligan, V.K, Kang, C.S, Antselovich, I, Sawaya, M.R, Yeates, T.O, Baker, D.
登録日2019-09-23
公開日2020-12-02
実験手法X-RAY DIFFRACTION (0.8 Å)
主引用文献Computational design of mixed chirality peptide macrocycles with internal symmetry.
Protein Sci., 29, 2020
6UF8
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BU of 6uf8 by Molmil
S2 symmetric peptide design number 6, London Bridge
分子名称: S2-6, London Bridge
著者Mulligan, V.K, Kang, C.S, Antselovich, I, Sawaya, M.R, Yeates, T.O, Baker, D.
登録日2019-09-23
公開日2020-12-02
実験手法X-RAY DIFFRACTION (0.8 Å)
主引用文献Computational design of mixed chirality peptide macrocycles with internal symmetry.
Protein Sci., 29, 2020
5GV7
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BU of 5gv7 by Molmil
Structure of NADH-cytochrome b5 reductase refined with the multipolar atomic model at 0.80 A
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, NADH-cytochrome b5 reductase 3
著者Takaba, K, Takeda, K, Miki, K.
登録日2016-09-03
公開日2017-04-05
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (0.8 Å)
主引用文献Distribution of valence electrons of the flavin cofactor in NADH-cytochrome b5 reductase.
Sci Rep, 7, 2017
4LBR
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BU of 4lbr by Molmil
Crystal structure of human AR complexed with NADP+ and {5-chloro-2-[(2,6-difluoro-4-iodobenzyl)carbamoyl]phenoxy}acetic acid
分子名称: Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, {5-chloro-2-[(2,6-difluoro-4-iodobenzyl)carbamoyl]phenoxy}acetic acid
著者Cousido-Siah, A, Mitschler, A, Ruiz, F.X, Fanfrlik, J, Kolar, M, Hobza, P, Podjarny, A.
登録日2013-06-21
公開日2014-04-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (0.8 Å)
主引用文献Modulation of aldose reductase inhibition by halogen bond tuning.
Acs Chem.Biol., 8, 2013
7TMH
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BU of 7tmh by Molmil
Porous framework formed by assembly of a bipyridyl-conjugated helical peptide
分子名称: 5'-(hydrazinecarbonyl)[2,2'-bipyridine]-5-carboxamide, ACETONITRILE, ethyl 5'-formyl[2,2'-bipyridine]-5-carboxylate, ...
著者Nguyen, A.I.
登録日2022-01-19
公開日2022-04-20
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (0.8 Å)
主引用文献Assembly of pi-Stacking Helical Peptides into a Porous and Multivariable Proteomimetic Framework.
J.Am.Chem.Soc., 144, 2022
7TMI
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BU of 7tmi by Molmil
Porous framework formed by assembly of a bipyridyl-conjugated helical peptide
分子名称: 5'-(hydrazinecarbonyl)[2,2'-bipyridine]-5-carboxamide, ACETONITRILE, ethyl 5'-formyl[2,2'-bipyridine]-5-carboxylate, ...
著者Nguyen, A.I.
登録日2022-01-19
公開日2022-04-20
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (0.8 Å)
主引用文献Assembly of pi-Stacking Helical Peptides into a Porous and Multivariable Proteomimetic Framework.
J.Am.Chem.Soc., 144, 2022
4LB4
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BU of 4lb4 by Molmil
Crystal structure of human AR complexed with NADP+ and {2-[(4-bromo-2,3,5,6-tetrafluorobenzyl)carbamoyl]-5-chlorophenoxy}acetic acid
分子名称: Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, {2-[(4-bromo-2,3,5,6-tetrafluorobenzyl)carbamoyl]-5-chlorophenoxy}acetic acid
著者Cousido-Siah, A, Mitschler, A, Ruiz, F.X, Fanfrlik, J, Kolar, M, Hobza, P, Podjarny, A.
登録日2013-06-20
公開日2014-04-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (0.8 Å)
主引用文献Modulation of aldose reductase inhibition by halogen bond tuning.
Acs Chem.Biol., 8, 2013
3MFJ
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BU of 3mfj by Molmil
Bovine trypsin at 0.8 A resolution, restrained refinement
分子名称: BENZAMIDINE, CALCIUM ION, Cationic trypsin, ...
著者Brzuszkiewicz, A, Dauter, M, Dauter, Z.
登録日2010-04-02
公開日2010-04-21
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (0.8 Å)
主引用文献Bovine trypsin at 0.8 A and role of restraints at ultra-high resolution
To be Published
3MI4
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BU of 3mi4 by Molmil
Bovine trypsin at 0.8 A resolution, non-restrained refinement
分子名称: BENZAMIDINE, CALCIUM ION, Cationic trypsin, ...
著者Brzuszkiewicz, A, Dauter, M, Dauter, Z.
登録日2010-04-09
公開日2010-04-28
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (0.8 Å)
主引用文献Bovine trypsin at 0.8 A and role of restraints at ultra-high resolution
To be Published
4G13
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BU of 4g13 by Molmil
Crystal structure of samarosporin I at 100K
分子名称: SAMAROSPORIN I
著者Gessmann, R, Axford, D, Petratos, K.
登録日2012-07-10
公開日2012-10-03
最終更新日2018-07-18
実験手法X-RAY DIFFRACTION (0.8 Å)
主引用文献The crystal structure of samarosporin I at atomic resolution.
J.Pept.Sci., 18, 2012
7TME
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BU of 7tme by Molmil
Porous framework formed by assembly of a bipyridyl-conjugated helical peptide
分子名称: 5'-(hydrazinecarbonyl)[2,2'-bipyridine]-5-carboxamide, ACETONITRILE, ethyl 5'-formyl[2,2'-bipyridine]-5-carboxylate, ...
著者Nguyen, A.I.
登録日2022-01-19
公開日2023-01-25
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (0.8 Å)
主引用文献Assembly of pi-Stacking Helical Peptides into a Porous and Multivariable Proteomimetic Framework.
J.Am.Chem.Soc., 144, 2022
1IUA
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BU of 1iua by Molmil
Ultra-high resolution structure of HiPIP from Thermochromatium tepidum
分子名称: High-potential iron-sulfur protein, IRON/SULFUR CLUSTER, SULFATE ION
著者Liu, L, Nogi, T, Kobayashi, M, Nozawa, T, Miki, K.
登録日2002-03-01
公開日2002-03-20
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (0.8 Å)
主引用文献Ultrahigh-resolution structure of high-potential iron-sulfur protein from Thermochromatium tepidum.
Acta Crystallogr.,Sect.D, 58, 2002
3D43
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BU of 3d43 by Molmil
The crystal structure of Sph at 0.8A
分子名称: CALCIUM ION, Sphericase
著者Almog, O.
登録日2008-05-13
公開日2009-04-28
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (0.8 Å)
主引用文献The crystal structures of the psychrophilic subtilisin S41 and the mesophilic subtilisin Sph reveal the same calcium-loaded state.
Proteins, 74, 2009
1PQ7
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BU of 1pq7 by Molmil
Trypsin at 0.8 A, pH5 / borax
分子名称: ARGININE, SULFATE ION, Trypsin
著者Schmidt, A, Jelsch, C, Rypniewski, W, Lamzin, V.S.
登録日2003-06-18
公開日2003-11-11
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (0.8 Å)
主引用文献Trypsin Revisited: CRYSTALLOGRAPHY AT (SUB) ATOMIC RESOLUTION AND QUANTUM CHEMISTRY REVEALING DETAILS OF CATALYSIS.
J.Biol.Chem., 278, 2003
1W0N
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BU of 1w0n by Molmil
Structure of uncomplexed Carbohydrate Binding Domain CBM36
分子名称: CALCIUM ION, ENDO-1,4-BETA-XYLANASE D, MAGNESIUM ION, ...
著者Jamal, S, Boraston, A.B, Davies, G.J.
登録日2004-06-09
公開日2004-10-27
最終更新日2019-05-08
実験手法X-RAY DIFFRACTION (0.8 Å)
主引用文献Ab Initio Structure Determination and Functional Characterization of Cbm36: A New Family of Calcium-Dependent Carbohydrate Binding Modules
Structure, 12, 2004
3UI4
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BU of 3ui4 by Molmil
0.8 A resolution crystal structure of human Parvulin 14
分子名称: CHLORIDE ION, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 4, SULFATE ION
著者Mueller, J.W, Link, N.M, Matena, A, Hoppstock, L, Rueppel, A, Bayer, P, Blankenfeldt, W.
登録日2011-11-04
公開日2011-12-07
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (0.8 Å)
主引用文献Crystallographic proof for an extended hydrogen-bonding network in small prolyl isomerases.
J.Am.Chem.Soc., 133, 2011
4I8G
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BU of 4i8g by Molmil
Bovine trypsin at 0.8 resolution
分子名称: BENZAMIDINE, CALCIUM ION, Cationic trypsin, ...
著者Dauter, Z, Liebschner, D, Dauter, M, Brzuszkiewicz, A.
登録日2012-12-03
公開日2012-12-19
最終更新日2013-09-18
実験手法X-RAY DIFFRACTION (0.8 Å)
主引用文献On the reproducibility of protein crystal structures: five atomic resolution structures of trypsin.
Acta Crystallogr.,Sect.D, 69, 2013
5AL6
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BU of 5al6 by Molmil
Central Coiled-Coil Domain (CCCD) of Drosophila melanogaster Ana2. A natural, parallel, tetrameric coiled-coil bundle.
分子名称: ANASTRAL SPINDLE 2, SODIUM ION
著者Cottee, M.A, Lea, S.M.
登録日2015-03-06
公開日2015-06-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (0.8 Å)
主引用文献The homo-oligomerisation of both Sas-6 and Ana2 is required for efficient centriole assembly in flies.
Elife, 4, 2015
5NFM
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BU of 5nfm by Molmil
Crystal structure of YrbA from Sinorhizobium meliloti in complex with copper.
分子名称: COPPER (II) ION, LITHIUM ION, YrbA
著者Roret, T, Didierjean, C.
登録日2017-03-14
公開日2018-10-10
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (0.8 Å)
主引用文献Sinorhizobium meliloti YrbA binds divalent metal cations using two conserved histidines.
Biosci.Rep., 40, 2020
2YGJ
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BU of 2ygj by Molmil
Methanobactin MB4
分子名称: COPPER (II) ION, METHANOBACTIN MB4, SODIUM ION
著者Ghazouani, A, Basle, A, Firbank, S.J, Gray, J, Dennison, C.
登録日2011-04-18
公開日2012-04-25
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (0.8 Å)
主引用文献Variations in Methanobactin Structure Influences Copper Utilization by Methane-Oxidizing Bacteria.
Proc.Natl.Acad.Sci.USA, 109, 2012

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