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6WXP
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BU of 6wxp by Molmil
De novo TIM barrel-ferredoxin fold fusion homodimer with 4-glutamate centre TFD-EE
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, TFD-EE
著者Caldwell, S.J, Zeymer, C, Haydon, I.C, Huang, P, Hilvert, D, Baker, D.
登録日2020-05-11
公開日2020-11-25
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Tight and specific lanthanide binding in a de novo TIM barrel with a large internal cavity designed by symmetric domain fusion.
Proc.Natl.Acad.Sci.USA, 117, 2020
1PL6
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BU of 1pl6 by Molmil
Human SDH/NADH/inhibitor complex
分子名称: 4-[2-(HYDROXYMETHYL)PYRIMIDIN-4-YL]-N,N-DIMETHYLPIPERAZINE-1-SULFONAMIDE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Sorbitol dehydrogenase, ...
著者Pauly, T.A, Ekstrom, J.L, Beebe, D.A, Chrunyk, B, Cunningham, D, Griffor, M, Kamath, A, Lee, S.E, Madura, R, Mcguire, D, Subashi, T, Wasilko, D, Watts, P, Mylari, B.L, Oates, P.J, Adams, P.D, Rath, V.L.
登録日2003-06-07
公開日2004-02-17
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献X-ray crystallographic and kinetic studies of human sorbitol dehydrogenase.
Structure, 11, 2003
2BAG
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BU of 2bag by Molmil
3D Structure of Torpedo californica acetylcholinesterase complexed with Ganstigmine
分子名称: 1S,3AS,8AS-TRIMETHYL-1-OXIDO-1,2,3,3A,8,8A-HEXAHYDROPYRROLO[2,3-B]INDOL-5-YL 2-ETHYLPHENYLCARBAMATE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Lamba, D, Bartolucci, C, Siotto, M, Racchi, M, Villetti, G, Delcanale, M.
登録日2005-10-14
公開日2006-08-29
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural Determinants of Torpedo californica Acetylcholinesterase Inhibition by the Novel and Orally Active Carbamate Based Anti-Alzheimer Drug Ganstigmine (CHF-2819)
J.Med.Chem., 49, 2006
5TIS
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BU of 5tis by Molmil
Room temperature XFEL structure of the native, doubly-illuminated photosystem II complex
分子名称: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
著者Young, I.D, Ibrahim, M, Chatterjee, R, Gul, S, Fuller, F, Koroidov, S, Brewster, A.S, Tran, R, Alonso-Mori, R, Kroll, T, Michels-Clark, T, Laksmono, H, Sierra, R.G, Stan, C.A, Hussein, R, Zhang, M, Douthit, L, Kubin, M, de Lichtenberg, C, Pham, L.V, Nilsson, H, Cheah, M.H, Shevela, D, Saracini, C, Bean, M.A, Seuffert, I, Sokaras, D, Weng, T.-C, Pastor, E, Weninger, C, Fransson, T, Lassalle, L, Braeuer, P, Aller, P, Docker, P.T, Andi, B, Orville, A.M, Glownia, J.M, Nelson, S, Sikorski, M, Zhu, D, Hunter, M.S, Aquila, A, Koglin, J.E, Robinson, J, Liang, M, Boutet, S, Lyubimov, A.Y, Uervirojnangkoorn, M, Moriarty, N.W, Liebschner, D, Afonine, P.V, Watermann, D.G, Evans, G, Wernet, P, Dobbek, H, Weis, W.I, Brunger, A.T, Zwart, P.H, Adams, P.D, Zouni, A, Messinger, J, Bergmann, U, Sauter, N.K, Kern, J, Yachandra, V.K, Yano, J.
登録日2016-10-03
公開日2016-11-23
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.25000381 Å)
主引用文献Structure of photosystem II and substrate binding at room temperature.
Nature, 540, 2016
1PL8
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human SDH/NAD+ complex
分子名称: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ZINC ION, human sorbitol dehydrogenase
著者Pauly, T.A, Ekstrom, J.L, Beebe, D.A, Chrunyk, B, Cunningham, D, Griffor, M, Kamath, A, Lee, S.E, Madura, R, Mcguire, D, Subashi, T, Wasilko, D, Watts, P, Mylari, B.L, Oates, P.J, Adams, P.D, Rath, V.L.
登録日2003-06-07
公開日2004-02-17
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献X-ray crystallographic and kinetic studies of human sorbitol dehydrogenase.
Structure, 11, 2003
2ETL
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BU of 2etl by Molmil
Crystal Structure of Ubiquitin Carboxy-terminal Hydrolase L1 (UCH-L1)
分子名称: CHLORIDE ION, Ubiquitin carboxyl-terminal hydrolase isozyme L1
著者Das, C, Hoang, Q.Q, Kreinbring, C.A, Luchansky, S.J, Meray, R.K, Ray, S.S, Lansbury, P.T, Ringe, D, Petsko, G.A.
登録日2005-10-27
公開日2006-03-28
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural basis for conformational plasticity of the Parkinson's disease-associated ubiquitin hydrolase UCH-L1.
Proc.Natl.Acad.Sci.USA, 103, 2006
3PZZ
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BU of 3pzz by Molmil
Structure of an amyloid forming peptide GAIIGL (29-34) from amyloid beta
分子名称: Amyloid beta A4 protein
著者Soriaga, A.B, Laganowsky, A.L, Sawaya, M.R, Eisenberg, D.
登録日2010-12-14
公開日2011-10-12
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.29 Å)
主引用文献Molecular basis for amyloid-beta polymorphism.
Proc.Natl.Acad.Sci.USA, 108, 2011
2XRU
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AURORA-A T288E COMPLEXED WITH PHA-828300
分子名称: 3-({[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]CARBONYL}AMINO)-N-[(1R)-1-PHENYLPROPYL]-1H-THIENO[3,2-C]PYRAZOLE-5-CARBOXAMIDE, SERINE/THREONINE-PROTEIN KINASE 6
著者Bindi, S, Fancelli, D, Alli, C, Berta, D, Bertrand, J.A, Cameron, A.D, Cappella, P, Carpinelli, P, Cervi, G, Croci, W, D'Anello, M, Forte, B, LauraGiorgini, M, Marsiglio, A, Moll, J, Pesenti, E, Pittala, V, Pulici, M, Riccardi-Sirtori, F, Roletto, F, Soncini, C, Storici, P, Varasi, M, Volpi, D, Zugnoni, P, Vianello, P.
登録日2010-09-22
公開日2010-09-29
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Thieno[3,2-C]Pyrazoles: A Novel Class of Aurora Inhibitors with Favorable Antitumor Activity.
Bioorg.Med.Chem., 18, 2010
2FBW
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BU of 2fbw by Molmil
Avian respiratory complex II with carboxin bound
分子名称: (~{Z})-2-oxidanylbut-2-enedioic acid, 2-METHYL-N-PHENYL-5,6-DIHYDRO-1,4-OXATHIINE-3-CARBOXAMIDE, AZIDE ION, ...
著者Huang, L.S, Sun, G, Cobessi, D, Wang, A.C, Shen, J.T, Tung, E.Y, Anderson, V.E, Berry, E.A.
登録日2005-12-10
公開日2005-12-20
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献3-nitropropionic acid is a suicide inhibitor of mitochondrial respiration that, upon oxidation by complex II, forms a covalent adduct with a catalytic base arginine in the active site of the enzyme.
J.Biol.Chem., 281, 2006
1SGK
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BU of 1sgk by Molmil
NUCLEOTIDE-FREE DIPHTHERIA TOXIN
分子名称: DIPHTHERIA TOXIN (DIMERIC)
著者Bell, C.E, Eisenberg, D.
登録日1996-09-12
公開日1996-12-23
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of nucleotide-free diphtheria toxin.
Biochemistry, 36, 1997
6HUJ
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BU of 6huj by Molmil
CryoEM structure of human full-length heteromeric alpha1beta3gamma2L GABA(A)R in complex with picrotoxin, GABA and megabody Mb38.
分子名称: (1aR,2aR,3S,6R,6aS,8aS,8bR,9R)-2a-hydroxy-8b-methyl-9-(prop-1-en-2-yl)hexahydro-3,6-methano-1,5,7-trioxacyclopenta[ij]c yclopropa[a]azulene-4,8(3H)-dione, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GAMMA-AMINO-BUTANOIC ACID, ...
著者Masiulis, S, Desai, R, Uchanski, T, Serna Martin, I, Laverty, D, Karia, D, Malinauskas, T, Jasenko, Z, Pardon, E, Kotecha, A, Steyaert, J, Miller, K.W, Aricescu, A.R.
登録日2018-10-08
公開日2019-01-02
最終更新日2023-11-15
実験手法ELECTRON MICROSCOPY (3.04 Å)
主引用文献GABAAreceptor signalling mechanisms revealed by structural pharmacology.
Nature, 565, 2019
5HRZ
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BU of 5hrz by Molmil
Computationally Designed Trimer 1na0C3_3
分子名称: TPR domain protein 1na0C3_3
著者Cascio, D, McNamara, D.E, Fallas, J.A, Baker, D, Yeates, T.O.
登録日2016-01-24
公開日2017-04-12
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Computational design of self-assembling cyclic protein homo-oligomers.
Nat Chem, 9, 2017
1WSU
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BU of 1wsu by Molmil
C-terminal domain of elongation factor selB complexed with SECIS RNA
分子名称: 5'-R(*GP*GP*CP*GP*UP*UP*GP*CP*CP*GP*GP*UP*CP*U*GP*GP*CP*AP*AP*CP*GP*CP*C)-3', Selenocysteine-specific elongation factor
著者Yoshizawa, S, Rasubala, L, Ose, T, Kohda, D, Fourmy, D, Maenaka, K.
登録日2004-11-11
公開日2005-01-25
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural basis for mRNA recognition by elongation factor SelB
Nat.Struct.Mol.Biol., 12, 2005
6HUP
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CryoEM structure of human full-length alpha1beta3gamma2L GABA(A)R in complex with diazepam (Valium), GABA and megabody Mb38.
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 7-CHLORO-1-METHYL-5-PHENYL-1,3-DIHYDRO-2H-1,4-BENZODIAZEPIN-2-ONE, GAMMA-AMINO-BUTANOIC ACID, ...
著者Masiulis, S, Desai, R, Uchanski, T, Serna Martin, I, Laverty, D, Karia, D, Malinauskas, T, Jasenko, Z, Pardon, E, Kotecha, A, Steyaert, J, Miller, K.W, Aricescu, A.R.
登録日2018-10-09
公開日2019-01-02
最終更新日2023-11-15
実験手法ELECTRON MICROSCOPY (3.58 Å)
主引用文献GABAAreceptor signalling mechanisms revealed by structural pharmacology.
Nature, 565, 2019
7Q20
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Ruminococcus gnavus ATC29149 endo-beta-1,4-galactosidase (RgGH98) in complex with blood group A trisaccharide
分子名称: CALCIUM ION, MAGNESIUM ION, Ruminococcus gnavus endogalactosidase GH98, ...
著者Owen, C.D, Wu, H, Crost, E.H, van Bakel, W, Gascuena, A.M, Latousakis, D, Hicks, T, Walpole, S, Urbanowicz, P.A, Ndeh, D, Monaco, S, Salom, L.S, Griffiths, R, Colvile, A, Spencer, D.I.R, Walsh, M.A, Angulo, J, Juge, N.
登録日2021-10-22
公開日2022-02-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献The human gut symbiont Ruminococcus gnavus shows specificity to blood group A antigen during mucin glycan foraging: Implication for niche colonisation in the gastrointestinal tract.
Plos Biol., 19, 2021
7PMO
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Ruminococcus gnavus ATC29149 endo-beta-1,4-galactosidase (RgGH98)
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
著者Owen, C.D, Wu, H, Crost, E.H, van Bakel, W, Gascuena, A.M, Latousakis, D, Hicks, T, Walpole, S, Urbanowicz, P.A, Ndeh, D, Monaco, S, Salom, L.S, Griffiths, R, Colvile, A, Spencer, D.I.R, Walsh, M.A, Angulo, J, Juge, N.
登録日2021-09-02
公開日2022-02-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The human gut symbiont Ruminococcus gnavus shows specificity to blood group A antigen during mucin glycan foraging: Implication for niche colonisation in the gastrointestinal tract.
Plos Biol., 19, 2021
8BQU
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Molecular basis of ZP3/ZP1 heteropolymerization: crystal structure of a native vertebrate egg coat filament
分子名称: Choriogenin H, Zona pellucida sperm-binding protein 3, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
著者Bokhove, M, de Sanctis, D, Yasumasu, S, Jovine, L.
登録日2022-11-21
公開日2024-03-13
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献ZP2 cleavage blocks polyspermy by modulating the architecture of the egg coat.
Cell, 187, 2024
4O9R
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Human Smoothened Receptor structure in complex with cyclopamine
分子名称: Cyclopamine, Smoothened homolog/Soluble cytochrome b562 chimeric protein
著者Wang, C, Weierstall, U, James, D, White, T.A, Wang, D, Liu, W, Spence, J.C.H, Doak, R.B, Nelson, G, Fromme, P, Fromme, R, Grotjohann, I, Kupitz, C, Zatsepin, N.A, Liu, H, Basu, S, Wacker, D, Han, G.W, Katritch, V, Boutet, S, Messerschmidt, M, Willams, G.J, Koglin, J.E, Seibert, M.M, Klinker, M, Gati, C, Shoeman, R.L, Barty, A, Chapman, H.N, Kirian, R.A, Beyerlein, K.R, Stevens, R.C, Li, D, Shah, S.T.A, Howe, N, Caffrey, M, Cherezov, V, GPCR Network (GPCR)
登録日2014-01-02
公開日2014-03-05
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.204 Å)
主引用文献Lipidic cubic phase injector facilitates membrane protein serial femtosecond crystallography.
Nat Commun, 5, 2014
6HVB
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NMR structure of Urotensin Peptide Asp-c[Cys-Phe-(N-Me)Trp-Lys-Tyr-Cys]-Val in SDS solution
分子名称: Urotensin-2
著者Brancaccio, D, Carotenuto, A, Merlino, F, Billard, E, Yousif, A.M, Di Maro, S, Abate, L, Bellavita, R, D'Emmanuele di Villa Bianca, R, Santicioli, P, Marinelli, L, Novellino, E, Hebert, T.E, Lubell, W.D, Chatenet, D, Grieco, P.
登録日2018-10-10
公開日2019-01-16
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Functional Selectivity Revealed by N-Methylation Scanning of Human Urotensin II and Related Peptides.
J.Med.Chem., 62, 2019
7Q1W
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Ruminococcus gnavus ATC29149 endo-beta-1,4-galactosidase (RgGH98) E411A in complex with blood group A (BgA II) tetrasaccharide
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, GLYCEROL, ...
著者Owen, C.D, Wu, H, Crost, E.H, van Bakel, W, Gascuena, A.M, Latousakis, D, Hicks, T, Walpole, S, Urbanowicz, P.A, Ndeh, D, Monaco, S, Salom, L.S, Griffiths, R, Colvile, A, Spencer, D.I.R, Walsh, M.A, Angulo, J, Juge, N.
登録日2021-10-21
公開日2022-03-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献The human gut symbiont Ruminococcus gnavus shows specificity to blood group A antigen during mucin glycan foraging: Implication for niche colonisation in the gastrointestinal tract.
Plos Biol., 19, 2021
1J8Q
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Low Temperature (100K) Crystal Structure of Flavodoxin D. vulgaris Wild-type at 1.35 Angstrom Resolution
分子名称: FLAVIN MONONUCLEOTIDE, FLAVODOXIN
著者Artali, R, Bombieri, G, Meneghetti, F, Gilardi, G, Sadeghi, S.J, Cavazzini, D, Rossi, G.L.
登録日2001-05-22
公開日2001-09-05
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Comparison of the refined crystal structures of wild-type (1.34 A) flavodoxin from Desulfovibrio vulgaris and the S35C mutant (1.44 A) at 100 K.
Acta Crystallogr.,Sect.D, 58, 2002
6I7D
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Plasmodium falciparum Myosin A, post-rigor and rigor-like states
分子名称: 1,2-ETHANEDIOL, GLYCEROL, Myosin-A
著者Robert-Paganin, J, Auguin, D, Moussaoui, D, Jousset, G, Baum, J, Trybus, K.M, Houdusse, A.
登録日2018-11-16
公開日2019-08-07
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.82 Å)
主引用文献Plasmodium myosin A drives parasite invasion by an atypical force generating mechanism.
Nat Commun, 10, 2019
1IG6
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HUMAN MRF-2 DOMAIN, NMR, 11 STRUCTURES
分子名称: MODULATOR RECOGNITION FACTOR 2
著者Lin, D, Tsui, V, Case, D, Yuan, Y.C, Chen, Y.
登録日2001-04-17
公開日2001-04-25
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献HUMAN MRF-2 DOMAIN, NMR, 11 STRUCTURES
To be Published
1AB2
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THREE-DIMENSIONAL SOLUTION STRUCTURE OF THE SRC HOMOLOGY 2 DOMAIN OF C-ABL
分子名称: C-ABL TYROSINE KINASE SH2 DOMAIN
著者Overduin, M, Rios, C.B, Mayer, B.J, Baltimore, D, Cowburn, D.
登録日1993-07-19
公開日1994-01-31
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Three-dimensional solution structure of the src homology 2 domain of c-abl.
Cell(Cambridge,Mass.), 70, 1992
7PKN
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Structure of the human CCAN deltaCT complex
分子名称: Centromere protein H, Centromere protein I, Centromere protein K, ...
著者Muir, K.W, Yatskevich, S, Bellini, D, Barford, D.
登録日2021-08-25
公開日2022-04-27
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structure of the human inner kinetochore bound to a centromeric CENP-A nucleosome.
Science, 376, 2022

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