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7YUZ
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BU of 7yuz by Molmil
Human K-Ras G12D (GDP-bound) in complex with cyclic peptide inhibitor AP8784
分子名称: AP8784, GUANOSINE-5'-DIPHOSPHATE, IODIDE ION, ...
著者Irie, M, Fukami, T.A, Tanada, M, Ohta, A, Torizawa, T.
登録日2022-08-18
公開日2023-07-26
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.878 Å)
主引用文献Validation of a New Methodology to Create Oral Drugs beyond the Rule of 5 for Intracellular Tough Targets.
J.Am.Chem.Soc., 145, 2023
1PBX
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BU of 1pbx by Molmil
HAEMOGLOBIN OF THE ANTARCTIC FISH PAGOTHENIA BERNACCHII: AMINO ACID SEQUENCE, OXYGEN EQUILIBRIA AND CRYSTAL STRUCTURE OF ITS CARBONMONOXY DERIVATIVE
分子名称: CARBON MONOXIDE, HEMOGLOBIN (CARBONMONOXY) (ALPHA CHAIN), HEMOGLOBIN (CARBONMONOXY) (BETA CHAIN), ...
著者Fermi, G.
登録日1991-11-04
公開日1992-10-15
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Haemoglobin of the antarctic fish Pagothenia bernacchii. Amino acid sequence, oxygen equilibria and crystal structure of its carbonmonoxy derivative.
J.Mol.Biol., 224, 1992
5OLC
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BU of 5olc by Molmil
Crystal structure of the 3,6-anhydro-D-galactonate cycloisomerase from Zobellia galactanivorans
分子名称: Galactonate dehydratase, MAGNESIUM ION
著者Michel, G, Czjzek, M, Jam, M.
登録日2017-07-27
公開日2017-12-06
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.79 Å)
主引用文献Carrageenan catabolism is encoded by a complex regulon in marine heterotrophic bacteria.
Nat Commun, 8, 2017
6YOC
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BU of 6yoc by Molmil
Structure of Lysozyme from COC IMISX setup collected by still serial crystallography on crystals prelocated by 2D X-ray phase-contrast imaging
分子名称: 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, ACETIC ACID, BROMIDE ION, ...
著者Huang, C.-Y, Martiel, I, Villanueva-Perez, P, Panepucci, E, Caffrey, M, Wang, M.
登録日2020-04-14
公開日2020-11-04
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Low-dose in situ prelocation of protein microcrystals by 2D X-ray phase-contrast imaging for serial crystallography.
Iucrj, 7, 2020
6YOF
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BU of 6yof by Molmil
Structure of PepTSt from COC IMISX setup collected by rotation serial crystallography on crystals prelocated by 2D X-ray phase-contrast imaging
分子名称: (2S)-2,3-DIHYDROXYPROPYL(7Z)-PENTADEC-7-ENOATE, 2-(2-METHOXYETHOXY)ETHANOL, Di-or tripeptide:H+ symporter, ...
著者Huang, C.-Y, Martiel, I, Villanueva-Perez, P, Panepucci, E, Caffrey, M, Wang, M.
登録日2020-04-14
公開日2020-11-04
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Low-dose in situ prelocation of protein microcrystals by 2D X-ray phase-contrast imaging for serial crystallography.
Iucrj, 7, 2020
6YOD
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BU of 6yod by Molmil
Structure of Lysozyme from SiN IMISX setup collected by rotation serial crystallography on crystals prelocated by 2D X-ray phase-contrast imaging
分子名称: 2-(2-ETHOXYETHOXY)ETHANOL, 2-(2-METHOXYETHOXY)ETHANOL, ACETIC ACID, ...
著者Huang, C.-Y, Martiel, I, Villanueva-Perez, P, Panepucci, E, Caffrey, M, Wang, M.
登録日2020-04-14
公開日2020-11-04
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.601 Å)
主引用文献Low-dose in situ prelocation of protein microcrystals by 2D X-ray phase-contrast imaging for serial crystallography.
Iucrj, 7, 2020
6YOE
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BU of 6yoe by Molmil
Structure of Lysozyme from SiN IMISX setup collected by still serial crystallography on crystals prelocated by 2D X-ray phase-contrast imaging
分子名称: 2-(2-ETHOXYETHOXY)ETHANOL, ACETIC ACID, BROMIDE ION, ...
著者Huang, C.-Y, Martiel, I, Villanueva-Perez, P, Panepucci, E, Caffrey, M, Wang, M.
登録日2020-04-14
公開日2020-11-04
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Low-dose in situ prelocation of protein microcrystals by 2D X-ray phase-contrast imaging for serial crystallography.
Iucrj, 7, 2020
6YOB
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BU of 6yob by Molmil
Structure of Lysozyme from COC IMISX setup collected by rotation serial crystallography on crystals prelocated by 2D X-ray phase-contrast imaging
分子名称: 2-(2-METHOXYETHOXY)ETHANOL, ACETIC ACID, BROMIDE ION, ...
著者Huang, C.-Y, Martiel, I, Villanueva-Perez, P, Panepucci, E, Caffrey, M, Wang, M.
登録日2020-04-14
公開日2020-11-04
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Low-dose in situ prelocation of protein microcrystals by 2D X-ray phase-contrast imaging for serial crystallography.
Iucrj, 7, 2020
6YOG
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BU of 6yog by Molmil
Structure of PepTSt from COC IMISX setup collected by still serial crystallography on crystals prelocated by 2D X-ray phase-contrast imaging
分子名称: (2S)-2,3-DIHYDROXYPROPYL(7Z)-PENTADEC-7-ENOATE, 2-(2-METHOXYETHOXY)ETHANOL, Di-or tripeptide:H+ symporter, ...
著者Huang, C.-Y, Martiel, I, Villanueva-Perez, P, Panepucci, E, Caffrey, M, Wang, M.
登録日2020-04-14
公開日2020-11-04
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Low-dose in situ prelocation of protein microcrystals by 2D X-ray phase-contrast imaging for serial crystallography.
Iucrj, 7, 2020
3CZD
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BU of 3czd by Molmil
Crystal structure of human glutaminase in complex with L-glutamate
分子名称: GLUTAMIC ACID, GLYCEROL, Glutaminase kidney isoform, ...
著者Karlberg, T, Welin, M, Andersson, J, Arrowsmith, C.H, Berglund, H, Busam, R.D, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Kallas, A, Kotenyova, T, Lehtio, L, Moche, M, Nilsson, M.E, Nordlund, P, Nyman, T, Persson, C, Sagemark, J, Svensson, L, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Wikstrom, M, Schuler, H, Structural Genomics Consortium (SGC)
登録日2008-04-29
公開日2008-07-01
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural basis for the allosteric inhibitory mechanism of human kidney-type glutaminase (KGA) and its regulation by Raf-Mek-Erk signaling in cancer cell metabolism.
Proc.Natl.Acad.Sci.USA, 109, 2012
3FR0
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BU of 3fr0 by Molmil
Human glucokinase in complex with 2-amino benzamide activator
分子名称: 2-amino-N-(4-methyl-1,3-thiazol-2-yl)-5-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]benzamide, Glucokinase, SODIUM ION, ...
著者Kamata, K.
登録日2009-01-08
公開日2009-02-17
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Identification of novel and potent 2-amino benzamide derivatives as allosteric glucokinase activators
Bioorg.Med.Chem.Lett., 19, 2009
7WCE
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BU of 7wce by Molmil
Crystal structure of HIV-1 integrase catalytic core domain in complex with (2S)-2-(tert-Butoxy)-2-(10-fluoro-2-(2-hydroxy-4-methylphenyl)-1,4-dimethyl-5-(methylsulfonyl)-5,6-dihydrophenanthridin-3-yl)acetic acid
分子名称: (2S)-2-[10-fluoranyl-1,4-dimethyl-2-(4-methyl-2-oxidanyl-phenyl)-5-methylsulfonyl-6H-phenanthridin-3-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid, GLYCEROL, Integrase catalytic, ...
著者Taoda, Y, Sekiguchi, Y.
登録日2021-12-20
公開日2022-09-07
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Discovery of tricyclic HIV-1 integrase-LEDGF/p75 allosteric inhibitors by intramolecular direct arylation reaction.
Bioorg.Med.Chem.Lett., 64, 2022
1UIR
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BU of 1uir by Molmil
Crystal Structure of Polyamine Aminopropyltransfease from Thermus thermophilus
分子名称: Polyamine Aminopropyltransferase
著者Ganbe, T, Ohnuma, M, Sato, T, Kumasaka, T, Oshima, T, Tanaka, N, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2003-07-18
公開日2003-08-05
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structures and enzymatic properties of a triamine/agmatine aminopropyltransferase from Thermus thermophilus
J.Mol.Biol., 408, 2011
2IW4
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BU of 2iw4 by Molmil
CRYSTAL STRUCTURE OF BASILLUS SUBTILIS FAMILY II INORGANIC PYROPHOSPHATASE MUTANT, H98Q, IN COMPLEX WITH PNP
分子名称: FE (III) ION, GLYCEROL, IMIDODIPHOSPHORIC ACID, ...
著者Fabrichniy, I.P, Lehtio, L, Oksanen, E, Goldman, A.
登録日2006-06-26
公開日2006-11-07
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献A Trimetal Site and Substrate Distortion in a Family II Inorganic Pyrophosphatase.
J.Biol.Chem., 282, 2007
6Q8X
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BU of 6q8x by Molmil
Respiratory complex I from Thermus thermophilus with bound Pyridaben.
分子名称: FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, IRON/SULFUR CLUSTER, ...
著者Gutierrez-Fernandez, J, Minhas, G.S, Sazanov, L.A.
登録日2018-12-16
公開日2020-09-02
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.508 Å)
主引用文献Key role of quinone in the mechanism of respiratory complex I.
Nat Commun, 11, 2020
6Q8W
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BU of 6q8w by Molmil
Respiratory complex I from Thermus thermophilus with bound Aureothin.
分子名称: Aureothin, FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, ...
著者Gutierrez-Fernandez, J, Minhas, G.S, Sazanov, L.A.
登録日2018-12-16
公開日2020-09-02
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Key role of quinone in the mechanism of respiratory complex I.
Nat Commun, 11, 2020
6Q8O
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BU of 6q8o by Molmil
Respiratory complex I from Thermus thermophilus with bound Piericidin A
分子名称: FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, IRON/SULFUR CLUSTER, ...
著者Gutierrez-Fernandez, J, Minhas, G.S, Sazanov, L.A.
登録日2018-12-15
公開日2020-09-02
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.605 Å)
主引用文献Key role of quinone in the mechanism of respiratory complex I.
Nat Commun, 11, 2020
1XG2
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BU of 1xg2 by Molmil
Crystal structure of the complex between pectin methylesterase and its inhibitor protein
分子名称: Pectinesterase 1, Pectinesterase inhibitor
著者Di Matteo, A, Raiola, A, Camardella, L, Giovane, A, Bonivento, D, De Lorenzo, G, Cervone, F, Bellincampi, D, Tsernoglou, D.
登録日2004-09-16
公開日2005-03-22
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural Basis for the Interaction between Pectin Methylesterase and a Specific Inhibitor Protein
Plant Cell, 17, 2005
4GUE
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BU of 4gue by Molmil
Structure of N-terminal kinase domain of RSK2 with flavonoid glycoside quercitrin
分子名称: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 6-deoxy-alpha-L-mannopyranoside, MAGNESIUM ION, Ribosomal protein S6 kinase alpha-3, ...
著者Derewenda, U, Utepbergenov, D, Szukalska, G, Derewenda, Z.S.
登録日2012-08-29
公開日2013-01-30
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Identification of quercitrin as an inhibitor of the p90 S6 ribosomal kinase (RSK): structure of its complex with the N-terminal domain of RSK2 at 1.8 A resolution.
Acta Crystallogr.,Sect.D, 69, 2013
8ID2
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BU of 8id2 by Molmil
Crystal structure of the ubiquitin-like domain in the SF3A1 subunit of human U2 snRNP complexed with the stem-loop 4 of U1 snRNA
分子名称: RNA (5'-R(*GP*GP*GP*GP*AP*CP*UP*GP*CP*GP*UP*UP*CP*GP*CP*GP*CP*UP*UP*UP*CP*CP*CP*C)-3'), Splicing factor 3A subunit 1
著者Terawaki, S, Nameki, N, Kuwasako, K.
登録日2023-02-12
公開日2023-05-17
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural insights into recognition of SL4, the UUCG stem-loop, of human U1 snRNA by the ubiquitin-like domain, including the C-terminal tail in the SF3A1 subunit of U2 snRNP.
J.Biochem., 174, 2023
2HAW
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BU of 2haw by Molmil
Crystal structure of family II Inorganic pyrophosphatase in complex with PNP
分子名称: CHLORIDE ION, FLUORIDE ION, GLYCEROL, ...
著者Fabrichniy, I.P, Lehtio, L, Oksanen, E, Goldman, A.
登録日2006-06-13
公開日2006-11-14
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献A trimetal site and substrate distortion in a family II inorganic pyrophosphatase
J.Biol.Chem., 282, 2007
6Y11
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BU of 6y11 by Molmil
Respiratory complex I from Thermus thermophilus
分子名称: DUF3197 domain-containing protein, FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, ...
著者Gutierrez-Fernandez, J, Minhas, G.S, Sazanov, L.A.
登録日2020-02-10
公開日2020-09-02
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.109 Å)
主引用文献Key role of quinone in the mechanism of respiratory complex I.
Nat Commun, 11, 2020
3B1K
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BU of 3b1k by Molmil
Crystal structure of Glyceraldehyde-3-Phosphate Dehydrogenase complexed with CP12 in the absence of copper from Synechococcus elongatus
分子名称: CP12, Glyceraldehyde 3-phosphate dehydrogenase (NADP+), NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Matsumura, H, Kai, A, Inoue, T.
登録日2011-07-04
公開日2012-01-11
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (3.302 Å)
主引用文献Structure Basis for the Regulation of Glyceraldehyde-3-Phosphate Dehydrogenase Activity via the Intrinsically Disordered Protein CP12.
Structure, 19, 2011
3B1J
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BU of 3b1j by Molmil
Crystal structure of Glyceraldehyde-3-Phosphate Dehydrogenase complexed with CP12 in the presence of copper from Synechococcus elongatus
分子名称: COPPER (II) ION, CP12, Glyceraldehyde 3-phosphate dehydrogenase (NADP+), ...
著者Matsumura, H, Kai, A, Inoue, T.
登録日2011-07-04
公開日2012-01-11
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure Basis for the Regulation of Glyceraldehyde-3-Phosphate Dehydrogenase Activity via the Intrinsically Disordered Protein CP12.
Structure, 19, 2011
3B20
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BU of 3b20 by Molmil
Crystal structure of Glyceraldehyde-3-Phosphate Dehydrogenase complexed with NADfrom Synechococcus elongatus"
分子名称: Glyceraldehyde 3-phosphate dehydrogenase (NADP+), NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION
著者Matsumura, H, Kai, A, Maeda, T, Inoue, T.
登録日2011-07-17
公開日2012-01-11
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.398 Å)
主引用文献Structure Basis for the Regulation of Glyceraldehyde-3-Phosphate Dehydrogenase Activity via the Intrinsically Disordered Protein CP12.
Structure, 19, 2011

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