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3AE6
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BU of 3ae6 by Molmil
Crystal structure of porcine heart mitochondrial complex II bound with N-(3-Isopropoxy-phenyl)-phthalamicacid
分子名称: 2-{[3-(1-methylethoxy)phenyl]carbamoyl}benzoic acid, FE2/S2 (INORGANIC) CLUSTER, FE3-S4 CLUSTER, ...
著者Harada, S, Sasaki, T, Shindo, M, Kido, Y, Inaoka, D.K, Omori, J, Osanai, A, Sakamoto, K, Mao, J, Matsuoka, S, Inoue, M, Honma, T, Tanaka, A, Kita, K.
登録日2010-02-04
公開日2011-02-09
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Crystal structure of porcine heart mitochondrial complex II bound with N-(3-Isopropoxy-phenyl)-phthalamicacid
To be Published
1HHN
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BU of 1hhn by Molmil
Calreticulin P-domain
分子名称: CALRETICULIN
著者Ellgaard, L, Riek, R, Herrmann, T, Guntert, P, Braun, D, Helenius, A, Wuthrich, K.
登録日2000-12-22
公開日2001-03-08
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献NMR Structure of the Calreticulin P-Domain
Proc.Natl.Acad.Sci.USA, 98, 2001
2XKN
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BU of 2xkn by Molmil
Crystal structure of the Fab fragment of the anti-EGFR antibody 7A7
分子名称: 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, ANTI-EGFR ANTIBODY 7A7
著者Talavera, A, Mackenzie, J, Friemann, R, Krengel, U.
登録日2010-07-09
公開日2011-06-15
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structure of the Fab Fragment of the Anti-Murine Egfr Antibody 7A7 and Exploration of its Receptor Binding Site.
Mol.Immunol., 48, 2011
5LY1
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BU of 5ly1 by Molmil
JMJD2A/ KDM4A COMPLEXED WITH NI(II) AND Macrocyclic PEPTIDE Inhibitor CP2 (13-mer)
分子名称: CHLORIDE ION, CP2, GLYCEROL, ...
著者King, O.N.F, Chowdhury, R, Kawamura, A, Schofield, C.J.
登録日2016-09-23
公開日2017-04-12
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Highly selective inhibition of histone demethylases by de novo macrocyclic peptides.
Nat Commun, 8, 2017
3A9C
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BU of 3a9c by Molmil
Crystal structure of ribose-1,5-bisphosphate isomerase from Thermococcus kodakaraensis KOD1 in complex with ribulose-1,5-bisphosphate
分子名称: DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, RIBULOSE-1,5-DIPHOSPHATE, ...
著者Nakamura, A, Fujihashi, M, Nishiba, Y, Yoshida, S, Yano, A, Atomi, H, Imanaka, T, Miki, K.
登録日2009-10-22
公開日2010-11-03
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Dynamic, ligand-dependent conformational change triggers reaction of ribose-1,5-bisphosphate isomerase from Thermococcus kodakarensis KOD1
J.Biol.Chem., 287, 2012
8F4P
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BU of 8f4p by Molmil
SARS-CoV-2 spike protein trimer (down conformation) bound with a nanobody
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, Anti-S1 Nanobody, ...
著者Laughlin, Z.T, Patel, A, Ortlund, E.A.
登録日2022-11-11
公開日2023-11-15
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献SARS-CoV-2 spike protein (down conformation) bound with a nanobody
To Be Published
5LKY
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BU of 5lky by Molmil
X-ray crystal structure of N-acetylneuraminic acid lyase in complex with pyruvate, with the phenylalanine at position 190 replaced with the non-canonical amino acid dihydroxypropylcysteine.
分子名称: DI(HYDROXYETHYL)ETHER, N-acetylneuraminate lyase
著者Windle, C.L, Trinh, C.H, Pearson, A.R, Nelson, A.S, Berry, A.
登録日2016-07-25
公開日2017-03-22
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Extending enzyme molecular recognition with an expanded amino acid alphabet.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
1GUE
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BU of 1gue by Molmil
SENSORY RHODOPSIN II
分子名称: CHLORIDE ION, RETINAL, SENSORY RHODOPSIN II
著者Edman, K, Royant, A, Nollert, P, Maxwell, C.A, Pebay-Peyroula, E, Navarro, J, Neutze, R, Landau, E.M.
登録日2002-01-24
公開日2002-04-12
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Early Structural Rearrangements in the Photocycle of an Integral Membrane Sensory Receptor
Structure, 10, 2002
3HZT
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BU of 3hzt by Molmil
Crystal structure of Toxoplasma gondii CDPK3, TGME49_105860
分子名称: 5-[(E)-(5-CHLORO-2-OXO-1,2-DIHYDRO-3H-INDOL-3-YLIDENE)METHYL]-N-[2-(DIETHYLAMINO)ETHYL]-2,4-DIMETHYL-1H-PYRROLE-3-CARBOXAMIDE, Calcium-dependent protein kinase 3, GLYCEROL, ...
著者Wernimont, A.K, Artz, J.D, Finnerty, P, Wasney, G, Allali-Hassani, A, Vedadi, M, Bochkarev, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Hui, R, Amani, M, Structural Genomics Consortium (SGC)
登録日2009-06-24
公開日2009-07-21
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structures of apicomplexan calcium-dependent protein kinases reveal mechanism of activation by calcium.
Nat.Struct.Mol.Biol., 17, 2010
1Y5B
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BU of 1y5b by Molmil
Dianhydrosugar-based benzamidine, factor Xa specific inhibitor in complex with bovine trypsin mutant
分子名称: 2,5-BIS-O-{4-[AMINO(IMINO)METHYL]PHENYL}-1,4:3,6-DIANHYDRO-D-GLUCITOL, CALCIUM ION, IMIDAZOLE, ...
著者Di Fenza, A, Heine, A, Klebe, G.
登録日2004-12-02
公開日2005-12-13
最終更新日2021-11-10
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Understanding binding selectivity toward trypsin and factor Xa: the role of aromatic interactions
Chemmedchem, 2, 2007
1YI6
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BU of 1yi6 by Molmil
C-term tail segment of human tyrosine kinase (258-533)
分子名称: Proto-oncogene tyrosine-protein kinase Src
著者Fleury, D, Sarubbi, E, Courjaud, A, Guitton, J.D, Ducruix, A.
登録日2005-01-11
公開日2006-05-02
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure of the unphosphorylated C-terminal tail segment of the SRC kinase and its role in SRC activity regulation
To be published
5NJH
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BU of 5njh by Molmil
Triazolopyrimidines stabilize microtubules by binding to the vinca inhibitor site of tubulin
分子名称: 5-chloranyl-7-[(1~{R},5~{S})-3-methoxy-8-azabicyclo[3.2.1]octan-8-yl]-6-[2,4,6-tris(fluoranyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ...
著者Sharma, A, Calvo, G.S, Prota, A.E, Diaz, J.F, Steinmetz, M.O.
登録日2017-03-28
公開日2017-06-21
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.394 Å)
主引用文献Triazolopyrimidines Are Microtubule-Stabilizing Agents that Bind the Vinca Inhibitor Site of Tubulin.
Cell Chem Biol, 24, 2017
6G7K
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BU of 6g7k by Molmil
Retinal isomerization in bacteriorhodopsin revealed by a femtosecond X-ray laser: 10 ps state structure
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 1-[2,6,10.14-TETRAMETHYL-HEXADECAN-16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-16-YL]GLYCEROL, Bacteriorhodopsin, ...
著者Nogly, P, Weinert, T, James, D, Cabajo, S, Ozerov, D, Furrer, A, Gashi, D, Borin, V, Skopintsev, P, Jaeger, K, Nass, K, Bath, P, Bosman, R, Koglin, J, Seaberg, M, Lane, T, Kekilli, D, Bruenle, S, Tanaka, T, Wu, W, Milne, C, White, T, Barty, A, Weierstall, U, Panneels, V, Nango, E, Iwata, S, Hunter, M, Schapiro, I, Schertler, G, Neutze, R, Standfuss, J.
登録日2018-04-06
公開日2018-06-27
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Retinal isomerization in bacteriorhodopsin captured by a femtosecond x-ray laser.
Science, 361, 2018
3HBM
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BU of 3hbm by Molmil
Crystal Structure of PseG from Campylobacter jejuni
分子名称: SULFATE ION, UDP-sugar hydrolase
著者Rangarajan, E.S, Proteau, A, Cygler, M, Matte, A, Sulea, T, Schoenhofen, I.C.
登録日2009-05-04
公開日2009-05-26
最終更新日2021-10-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural and functional analysis of Campylobacter jejuni PseG: a udp-sugar hydrolase from the pseudaminic acid biosynthetic pathway.
J.Biol.Chem., 284, 2009
7X4H
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BU of 7x4h by Molmil
Crystal structure of CK2a1 complexed with AG1112
分子名称: 5-azanyl-3-[(~{Z})-1-cyano-2-(1~{H}-indol-3-yl)ethenyl]-1~{H}-pyrazole-4-carbonitrile, Casein Kinase 2 subunit alpha
著者Ikeda, A, Kinoshita, T, Tsuyuguchi, M.
登録日2022-03-02
公開日2023-01-18
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Bivalent binding mode of an amino-pyrazole inhibitor indicates the potentials for CK2 alpha 1-selective inhibitors.
Biochem.Biophys.Res.Commun., 630, 2022
3AGM
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BU of 3agm by Molmil
Complex of PKA with the bisubstrate protein kinase inhibitor ARC-670
分子名称: N~2~-{8-OXO-8-[4-(9H-PURIN-6-YL)PIPERAZIN-1-YL]OCTANOYL}-D-ARGINYL-D-ARGINYL-D-ARGINYL-D-ARGINYL-D-ARGINYL-D-ARGININAMIDE, cAMP-dependent protein kinase catalytic subunit alpha
著者Pflug, A, Ragozina, J, Uri, A, Bossemeyer, D, Engh, R.A.
登録日2010-04-02
公開日2010-09-01
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Diversity of bisubstrate binding modes of adenosine analogue-oligoarginine conjugates in protein kinase a and implications for protein substrate interactions.
J.Mol.Biol., 403, 2010
7X9U
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BU of 7x9u by Molmil
Type-II KH motif of human mitochondrial RbfA
分子名称: Putative ribosome-binding factor A, mitochondrial
著者Kuwasako, K, Suzuki, S, Furue, M, Takizawa, M, Takahashi, M, Tsuda, K, Nagata, T, Watanabe, S, Tanaka, A, Kobayashi, N, Kigawa, T, Guntert, P, Shirouzu, M, Yokoyama, S, Muto, Y, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2022-03-16
公開日2023-01-25
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献1 H, 13 C, and 15 N resonance assignments and solution structures of the KH domain of human ribosome binding factor A, mtRbfA, involved in mitochondrial ribosome biogenesis.
Biomol.Nmr Assign., 16, 2022
3AE4
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BU of 3ae4 by Molmil
Crystal structure of porcine heart mitochondrial complex II bound with 2-Iodo-N-methyl-benzamide
分子名称: 2-iodo-N-methylbenzamide, FE2/S2 (INORGANIC) CLUSTER, FE3-S4 CLUSTER, ...
著者Harada, S, Sasaki, T, Shindo, M, Kido, Y, Inaoka, D.K, Omori, J, Osanai, A, Sakamoto, K, Mao, J, Matsuoka, S, Inoue, M, Honma, T, Tanaka, A, Kita, K.
登録日2010-02-04
公開日2011-02-09
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.91 Å)
主引用文献Crystal structure of porcine heart mitochondrial complex II bound with 2-Iodo-N-methyl-benzamide
To be Published
4IDB
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BU of 4idb by Molmil
Structure of the Fragaria x ananassa enone oxidoreductase in complex with NADP+
分子名称: 1,2-ETHANEDIOL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Ripening-induced protein, ...
著者Schiefner, A, Skerra, A.
登録日2012-12-12
公開日2013-04-17
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structural basis for the enzymatic formation of the key strawberry flavor compound 4-hydroxy-2,5-dimethyl-3(2H)-furanone
J.Biol.Chem., 288, 2013
6KLM
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BU of 6klm by Molmil
NMR solution structure of Roseltide rT7
分子名称: Roseltide rT7
著者Fan, J.S, Kam, A, Loo, S, Yang, D, Tam, P.J.
登録日2019-07-30
公開日2019-11-20
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Roseltide rT7 is a disulfide-rich, anionic, and cell-penetrating peptide that inhibits proteasomal degradation.
J.Biol.Chem., 294, 2019
1HAO
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BU of 1hao by Molmil
COMPLEX OF HUMAN ALPHA-THROMBIN WITH A 15MER OLIGONUCLEOTIDE GGTTGGTGTGGTTGG (BASED ON NMR MODEL OF DNA)
分子名称: ALPHA-THROMBIN heavy chain, ALPHA-THROMBIN light chain, D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, ...
著者Tulinsky, A, Padmanabhan, K.
登録日1995-10-03
公開日1996-04-03
最終更新日2013-02-27
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献An ambiguous structure of a DNA 15-mer thrombin complex.
Acta Crystallogr.,Sect.D, 52, 1996
4IIM
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BU of 4iim by Molmil
Crystal structure of the Second SH3 Domain of ITSN1 bound with a synthetic peptide
分子名称: Intersectin-1, UNKNOWN ATOM OR ION, peptide ligand
著者Dong, A, Guan, X, Huang, H, Wernimont, A, Gu, J, Sidhu, S, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Tong, Y, Structural Genomics Consortium (SGC)
登録日2012-12-20
公開日2013-01-23
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of the Second SH3 Domain of ITSN1 bound with a synthetic peptide
To be Published
6GA2
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Bacteriorhodopsin, dark state, cell 2
分子名称: 2,3-DI-PHYTANYL-GLYCEROL, Bacteriorhodopsin, DECANE, ...
著者Nass Kovacs, G, Colletier, J.-P, Gruenbein, M.L, Stensitzki, T, Batyuk, A, Carbajo, S, Doak, R.B, Ehrenberg, D, Foucar, L, Gasper, R, Gorel, A, Hilpert, M, Kloos, M, Koglin, J, Reinstein, J, Roome, C.M, Schlesinger, R, Seaberg, M, Shoeman, R.L, Stricker, M, Boutet, S, Haacke, S, Heberle, J, Domratcheva, T, Barends, T.R.M, Schlichting, I.
登録日2018-04-11
公開日2019-04-24
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Three-dimensional view of ultrafast dynamics in photoexcited bacteriorhodopsin.
Nat Commun, 10, 2019
6FX3
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crystal structure of Pholiota squarrosa lectin in complex with a dodecasaccharide
分子名称: N-acetyl-alpha-neuraminic acid-(2-6)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]1-azido-beta-N-acetyl-D-glucosamine, N-acetyl-alpha-neuraminic acid-(2-6)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]1-azido-beta-N-acetyl-D-glucosamine, lectin
著者Cabanettes, A, Varrot, A.
登録日2018-03-08
公開日2018-07-11
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Recognition of Complex Core-Fucosylated N-Glycans by a Mini Lectin.
Angew. Chem. Int. Ed. Engl., 57, 2018
6GA9
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BACTERIORHODOPSIN, 390 FS STATE, REAL-SPACE REFINED AGAINST 15% EXTRAPOLATED STRUCTURE FACTORS
分子名称: 2,3-DI-PHYTANYL-GLYCEROL, Bacteriorhodopsin, DECANE, ...
著者Nass Kovacs, G, Colletier, J.-P, Gruenbein, M.L, Stensitzki, T, Batyuk, A, Carbajo, S, Doak, R.B, Ehrenberg, D, Foucar, L, Gasper, R, Gorel, A, Hilpert, M, Kloos, M, Koglin, J, Reinstein, J, Roome, C.M, Schlesinger, R, Seaberg, M, Shoeman, R.L, Stricker, M, Boutet, S, Haacke, S, Heberle, J, Domratcheva, T, Schlichting, I.
登録日2018-04-11
公開日2019-04-24
最終更新日2019-07-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Three-dimensional view of ultrafast dynamics in photoexcited bacteriorhodopsin.
Nat Commun, 10, 2019

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