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3X34
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BU of 3x34 by Molmil
Crystal structure of the reduced form of the solubilized domain of porcine cytochrome b5 in form 1 crystal
分子名称: CALCIUM ION, Cytochrome b5, PROTOPORPHYRIN IX CONTAINING FE
著者Hirano, Y, Kimura, S, Tamada, T.
登録日2015-01-14
公開日2015-07-15
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (0.76 Å)
主引用文献High-resolution crystal structures of the solubilized domain of porcine cytochrome b5.
Acta Crystallogr.,Sect.D, 71, 2015
6TOV
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BU of 6tov by Molmil
Crystal Structure of Teicoplanin Aglycone
分子名称: DIMETHYL SULFOXIDE, Teicoplanin Aglycone
著者Belviso, B.D, Carrozzini, B, Caliandro, R, Altomare, C.D, Bolognino, I, Cellamare, S.
登録日2019-12-12
公開日2020-01-15
最終更新日2022-01-19
実験手法X-RAY DIFFRACTION (0.767 Å)
主引用文献Enantiomeric Separation and Molecular Modelling of Bioactive 4-Aryl-3,4-dihydropyrimidin-2(1H)-one Ester Derivatives on Teicoplanin-Based Chiral Stationary Phase
Separations, 2022
6UFA
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BU of 6ufa by Molmil
S4 symmetric peptide design number 1, Tim zinc-bound form
分子名称: S4-1, Tim, Zinc-bound form, ...
著者Mulligan, V.K, Kang, C.S, Antselovich, I, Sawaya, M.R, Yeates, T.O, Baker, D.
登録日2019-09-24
公開日2020-12-02
実験手法X-RAY DIFFRACTION (0.77 Å)
主引用文献Computational design of mixed chirality peptide macrocycles with internal symmetry.
Protein Sci., 29, 2020
5YCE
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BU of 5yce by Molmil
Sperm whale myoglobin swMb
分子名称: Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
著者Isogai, Y, Imamura, H, Nakae, S, Sumi, T, Takahashi, K, Nakagawa, T, Tsuneshige, A, Shirai, T.
登録日2017-09-07
公開日2018-09-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (0.77 Å)
主引用文献Tracing whale myoglobin evolution by resurrecting ancient proteins.
Sci Rep, 8, 2018
7KR0
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BU of 7kr0 by Molmil
Crystal structure of SARS-CoV-2 NSP3 macrodomain (C2 crystal form, 100 K)
分子名称: Non-structural protein 3
著者Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S.
登録日2020-11-18
公開日2020-12-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (0.77 Å)
主引用文献Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking.
Sci Adv, 7, 2021
6L27
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BU of 6l27 by Molmil
X-ray crystal structure of the mutant green fluorescent protein
分子名称: Green fluorescent protein
著者Adachi, M, Shimizu, R, Shibazaki, C, Kagotani, Y, Ostermann, A, Schrader, T.E.
登録日2019-10-02
公開日2020-04-01
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (0.77 Å)
主引用文献Direct Observation of the Protonation States in the Mutant Green Fluorescent Protein.
J Phys Chem Lett, 11, 2020
6MW1
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BU of 6mw1 by Molmil
cyclo-Mle-Phe-Mle-Phe. Pseudoxylallemycin A.
分子名称: Pseudoxylallemycin A
著者Cameron, A.J, Harris, P.W.R, Brimble, M.A, Squire, C.J.
登録日2018-10-29
公開日2019-09-11
実験手法X-RAY DIFFRACTION (0.77 Å)
主引用文献Investigations of the key macrolactamisation step in the synthesis of cyclic tetrapeptide pseudoxylallemycin A.
Org.Biomol.Chem., 17, 2019
6MW2
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BU of 6mw2 by Molmil
cyclo-Mle-Phe-Mle-D-Phe. D-Phe analogue of pseudoxylallemycin A.
分子名称: pseudoxylallemycin A
著者Cameron, A.J, Harris, P.W.R, Brimble, M.A, Squire, C.J.
登録日2018-10-29
公開日2019-09-11
最終更新日2019-10-02
実験手法X-RAY DIFFRACTION (0.77 Å)
主引用文献Investigations of the key macrolactamisation step in the synthesis of cyclic tetrapeptide pseudoxylallemycin A.
Org.Biomol.Chem., 17, 2019
5KWM
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BU of 5kwm by Molmil
S. erythraea trypsin long construct apoenzyme
分子名称: Trypsin
著者Blankenship, E, Lodowski, D.T.
登録日2016-07-18
公開日2017-10-18
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (0.777 Å)
主引用文献S. erythraea trypsin long construct
To be Published
5JZQ
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BU of 5jzq by Molmil
Ultrahigh-resolution centrosymmetric crystal structure of Z-DNA reveals massive presence of multiple conformations
分子名称: DNA (5'-D(*CP*GP*CP*GP*CP*G)-3'), MAGNESIUM ION
著者Drozdzal, P, Gilski, M, Jaskolski, M.
登録日2016-05-17
公開日2016-11-09
最終更新日2018-08-08
実験手法X-RAY DIFFRACTION (0.78 Å)
主引用文献Ultrahigh-resolution centrosymmetric crystal structure of Z-DNA reveals the massive presence of alternate conformations.
Acta Crystallogr D Struct Biol, 72, 2016
5GV8
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BU of 5gv8 by Molmil
Structure of NADH-cytochrome b5 reductase refined with the multipolar atomic model at 0.78A
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 (0.78 Å)
主引用文献Distribution of valence electrons of the flavin cofactor in NADH-cytochrome b5 reductase.
Sci Rep, 7, 2017
3BCJ
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BU of 3bcj by Molmil
Crystal structure of Aldose Reductase complexed with 2S4R (Stereoisomer of Fidarestat, 2S4S) at 0.78 A
分子名称: (2S,4R)-2-AMINOFORMYL-6-FLUORO-SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]-2',5'-DIONE, Aldose reductase, CITRIC ACID, ...
著者Zhao, H.T, El-Kabbani, O.
登録日2007-11-13
公開日2008-04-08
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (0.78 Å)
主引用文献Unusual Binding Mode of the 2S4R Stereoisomer of the Potent Aldose Reductase Cyclic Imide Inhibitor Fidarestat (2S4S) in the 15 K Crystal Structure of the Ternary Complex Refined at 0.78 A Resolution: Implications for the Inhibition Mechanism
J.Med.Chem., 51, 2008
6JGJ
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BU of 6jgj by Molmil
Crystal structure of the F99S/M153T/V163A/E222Q variant of GFP at 0.78 A
分子名称: Green fluorescent protein, MAGNESIUM ION
著者Takaba, K, Tai, Y, Hanazono, Y, Miki, K, Takeda, K.
登録日2019-02-14
公開日2019-04-17
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (0.78 Å)
主引用文献Subatomic resolution X-ray structures of green fluorescent protein.
Iucrj, 6, 2019
7A5M
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BU of 7a5m by Molmil
ENAH EVH1 in complex with Ac-[2-Cl-F]-[ProM-2]-[ProM-17]-OMe
分子名称: Ac-[2-Cl-F]-[ProM-2]-[ProM-17]-OMe, NITRATE ION, Protein enabled homolog
著者Barone, M, Roske, Y.
登録日2020-08-21
公開日2020-10-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (0.78 Å)
主引用文献Designed nanomolar small-molecule inhibitors of Ena/VASP EVH1 interaction impair invasion and extravasation of breast cancer cells.
Proc.Natl.Acad.Sci.USA, 117, 2020
6ZM8
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BU of 6zm8 by Molmil
Structure of muramidase from Acremonium alcalophilum
分子名称: muramidase
著者Moroz, O.V, Blagova, E, Taylor, E, Turkenburg, J.P, Skov, L.K, Gippert, G.P, Schnorr, K.M, Ming, L, Ye, L, Klausen, M, Cohn, M.T, Schmidt, E.G.W, Nymand-Grarup, S, Davies, G.J, Wilson, K.S.
登録日2020-07-01
公開日2021-07-14
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (0.78 Å)
主引用文献Fungal GH25 muramidases: New family members with applications in animal nutrition and a crystal structure at 0.78 angstrom resolution.
Plos One, 16, 2021
1GCI
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BU of 1gci by Molmil
THE 0.78 ANGSTROMS STRUCTURE OF A SERINE PROTEASE-BACILLUS LENTUS SUBTILISIN
分子名称: CALCIUM ION, GLYCEROL, SUBTILISIN, ...
著者Bott, R, Kuhn, P.
登録日1998-09-02
公開日1998-10-21
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (0.78 Å)
主引用文献The 0.78 A structure of a serine protease: Bacillus lentus subtilisin.
Biochemistry, 37, 1998
1X6Z
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BU of 1x6z by Molmil
Structure 1: cryocooled crystal structure of the truncated pak pilin from Pseudomonas aeruginosa at 0.78A resolution
分子名称: Fimbrial protein
著者Dunlop, K.V, Irvin, R.T, Hazes, B.
登録日2004-08-12
公開日2005-04-19
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (0.78 Å)
主引用文献Pros and cons of cryocrystallography: should we also collect a room-temperature data set?
Acta Crystallogr.,Sect.D, 61, 2005
3W5H
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BU of 3w5h by Molmil
Ultra-high resolution structure of NADH-cytochrome b5 reductase
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, NADH-cytochrome b5 reductase 3
著者Takeda, K, Ohno, H, Kosugi, M, Takaba, K, Miki, K.
登録日2013-01-30
公開日2013-07-17
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (0.78 Å)
主引用文献Elucidations of the catalytic cycle of NADH-cytochrome b5 reductase by X-ray crystallography: new insights into regulation of efficient electron transfer
J.Mol.Biol., 425, 2013
6MW0
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BU of 6mw0 by Molmil
Mle-Phe-Mle-D-Phe. Linear tetrapeptide related to pseudoxylallemycin A.
分子名称: METHANOL, Mle-Phe-Mle-D-Phe Linear tetrapeptide related to pseudoxylallemycin A
著者Cameron, A.J, Harris, P.W.R, Brimble, M.A, Squire, C.J.
登録日2018-10-29
公開日2019-09-11
実験手法X-RAY DIFFRACTION (0.78 Å)
主引用文献Investigations of the key macrolactamisation step in the synthesis of cyclic tetrapeptide pseudoxylallemycin A.
Org.Biomol.Chem., 17, 2019
7TLU
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BU of 7tlu 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2022-01-18
公開日2022-04-20
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (0.79 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
5TDA
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BU of 5tda by Molmil
Crystal structure of the UBR-box domain from UBR2 in complex with RLWS N-degron
分子名称: ARG-LEU-TRP-SER peptide, E3 ubiquitin-protein ligase UBR2, ZINC ION
著者Munoz-Escobar, J, Kozlov, G, Gehring, K.
登録日2016-09-19
公開日2017-03-22
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (0.79 Å)
主引用文献Bound Waters Mediate Binding of Diverse Substrates to a Ubiquitin Ligase.
Structure, 25, 2017
7R2H
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BU of 7r2h by Molmil
0.79A resolution structure of DMSO bound Cyclophilin D
分子名称: DIMETHYL SULFOXIDE, Peptidyl-prolyl cis-trans isomerase F, mitochondrial
著者Silva, D.O, Graedler, U.
登録日2022-02-04
公開日2023-02-15
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (0.79 Å)
主引用文献0.79A resolution structure of DMSO bound Cyclophilin D
To Be Published
5MN1
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BU of 5mn1 by Molmil
Cationic trypsin in complex with 2-aminopyridine (deuterated sample at 100 K)
分子名称: 2-AMINOPYRIDINE, CALCIUM ION, Cationic trypsin, ...
著者Schiebel, J, Heine, A, Klebe, G.
登録日2016-12-12
公開日2017-05-24
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (0.79 Å)
主引用文献Charges Shift Protonation: Neutron Diffraction Reveals that Aniline and 2-Aminopyridine Become Protonated Upon Binding to Trypsin.
Angew. Chem. Int. Ed. Engl., 56, 2017
4UA6
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BU of 4ua6 by Molmil
CTX-M-14 Class A Beta-Lactamase Apo Crystal Structure at 0.79 Angstrom Resolution
分子名称: Beta-lactamase CTX-M-14, PHOSPHATE ION, POTASSIUM ION
著者Nichols, D.A, Chen, Y.
登録日2014-08-08
公開日2015-06-24
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (0.79 Å)
主引用文献Ligand-Induced Proton Transfer and Low-Barrier Hydrogen Bond Revealed by X-ray Crystallography.
J.Am.Chem.Soc., 137, 2015
2PVE
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BU of 2pve by Molmil
NMR and X-ray Analysis of Structural Additivity in Metal Binding Site-Swapped Hybrids of Rubredoxin
分子名称: 1,2-ETHANEDIOL, ACETATE ION, Rubredoxin, ...
著者LeMaster, D.M, Anderson, J.S, Wang, L, Guo, Y, Li, H, Hernandez, G.
登録日2007-05-09
公開日2007-12-18
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (0.79 Å)
主引用文献NMR and X-ray analysis of structural additivity in metal binding site-swapped hybrids of rubredoxin.
Bmc Struct.Biol., 7, 2007

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