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6B7F
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Crystal structure of E.coli Phosphopantetheine Adenylyltransferase (PPAT/CoaD) in complex with (R)-3,3-dimethyl-4-(5-vinyl-1H-imidazol-1-yl)isochroman-1-one
分子名称: (4R)-4-(5-ethenyl-1H-imidazol-1-yl)-3,3-dimethyl-3,4-dihydro-1H-2-benzopyran-1-one, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DIMETHYL SULFOXIDE, ...
著者Proudfoot, A.W, Bussiere, D, Lingel, A.
登録日2017-10-03
公開日2017-12-27
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.562 Å)
主引用文献High-Confidence Protein-Ligand Complex Modeling by NMR-Guided Docking Enables Early Hit Optimization.
J. Am. Chem. Soc., 139, 2017
6TO0
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BU of 6to0 by Molmil
Structure of E70A mutant of Rex8A from Paenibacillus barcinonensis complexed with 2(3)-alpha-L-arabinofuranosyl-xylotriose.
分子名称: GLYCEROL, Reducing-end xylose-releasing exo-oligoxylanase Rex8A, alpha-L-arabinofuranose-(1-2)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose
著者Jimenez-Ortega, E, Ramirez-Escudero, M, Sanz-Aparicio, J.
登録日2019-12-11
公開日2020-05-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Structural analysis of the reducing-end xylose-releasing exo-oligoxylanase Rex8A from Paenibacillus barcinonensis BP-23 deciphers its molecular specificity.
Febs J., 287, 2020
7QFL
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BU of 7qfl by Molmil
Crystal structure of S-layer protein SlpA from Lactobacillus acidophilus, domain II (aa 199-308)
分子名称: ACETATE ION, PHOSPHATE ION, S-layer protein
著者Sagmeister, T, Dordic, A, Eder, E, Pavkov-Keller, T.
登録日2021-12-06
公開日2022-12-21
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献The molecular architecture of Lactobacillus S-layer: Assembly and attachment to teichoic acids.
Proc.Natl.Acad.Sci.USA, 121, 2024
5MOJ
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BU of 5moj by Molmil
Crystal structure of IgE-Fc epsilon 3-4
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Ig epsilon chain C region, ...
著者Dore, K.A, Davies, A.M, Drinkwater, N, Beavil, A.J, MacDonnell, J.M, Sutton, B.J.
登録日2016-12-14
公開日2018-01-10
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Thermal sensitivity and flexibility of the C epsilon 3 domains in immunoglobulin E.
Biochim. Biophys. Acta, 1865, 2017
1BXV
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BU of 1bxv by Molmil
REDUCED PLASTOCYANIN FROM SYNECHOCOCCUS SP.
分子名称: COPPER (II) ION, PLASTOCYANIN
著者Inoue, T, Sugawara, H, Hamanaka, S, Tsukui, H, Suzuki, E, Kohzuma, T, Kai, Y.
登録日1998-10-09
公開日1999-06-15
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure determinations of oxidized and reduced plastocyanin from the cyanobacterium Synechococcus sp. PCC 7942.
Biochemistry, 38, 1999
6N1O
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BU of 6n1o by Molmil
Oxidized rat cytochrome c mutant (S47E)
分子名称: 1,2-ETHANEDIOL, Cytochrome c, somatic, ...
著者Huttemann, M, Edwards, B.F.P.
登録日2018-11-09
公開日2019-10-23
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Serine-47 phosphorylation of cytochromecin the mammalian brain regulates cytochromecoxidase and caspase-3 activity.
Faseb J., 33, 2019
6TPP
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BU of 6tpp by Molmil
Structure of E70A mutant of Rex8A from Paenibacillus barcinonensis.
分子名称: 1,2-ETHANEDIOL, Reducing-end xylose-releasing exo-oligoxylanase Rex8A
著者Jimenez-Ortega, E, Ramirez-Escudero, M, Sanz-Aparicio, J.
登録日2019-12-13
公開日2020-05-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.64 Å)
主引用文献Structural analysis of the reducing-end xylose-releasing exo-oligoxylanase Rex8A from Paenibacillus barcinonensis BP-23 deciphers its molecular specificity.
Febs J., 287, 2020
1FD7
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BU of 1fd7 by Molmil
HEAT-LABILE ENTEROTOXIN B-PENTAMER WITH BOUND LIGAND BMSC001
分子名称: HEAT-LABILE ENTEROTOXIN B CHAIN, N-BENZYL-3-(ALPHA-D-GALACTOS-1-YL)-BENZAMIDE
著者Fan, E, Merritt, E.A, Pickens, J, Ahn, M, Hol, W.G.J.
登録日2000-07-19
公開日2000-08-10
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Exploration of the GM1 receptor-binding site of heat-labile enterotoxin and cholera toxin by phenyl-ring-containing galactose derivatives.
Acta Crystallogr.,Sect.D, 57, 2001
1BYB
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BU of 1byb by Molmil
CRYSTAL STRUCTURES OF SOYBEAN BETA-AMYLASE REACTED WITH BETA-MALTOSE AND MALTAL: ACTIVE SITE COMPONENTS AND THEIR APPARENT ROLE IN CATALYSIS
分子名称: BETA-AMYLASE, SULFATE ION, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
著者Mikami, B, Degano, M, Hehre, E.J, Sacchettini, J.C.
登録日1994-01-25
公開日1994-07-31
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structures of soybean beta-amylase reacted with beta-maltose and maltal: active site components and their apparent roles in catalysis.
Biochemistry, 33, 1994
1K3Y
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BU of 1k3y by Molmil
Crystal Structure Analysis of human Glutathione S-transferase with S-hexyl glutatione and glycerol at 1.3 Angstrom
分子名称: GLUTATHIONE S-TRANSFERASE A1, GLYCEROL, S-HEXYLGLUTATHIONE
著者Le Trong, I, Stenkamp, R.E, Ibarra, C, Atkins, W.M, Adman, E.T.
登録日2001-10-04
公開日2002-10-30
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献1.3-A resolution structure of human glutathione S-transferase with S-hexyl glutathione bound reveals possible extended ligandin binding site.
Proteins, 48, 2002
6N5I
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BU of 6n5i by Molmil
FtsY-NG high-resolution
分子名称: GLYCEROL, POTASSIUM ION, Signal recognition particle receptor FtsY
著者Ataide, S.F, Faoro, C.
登録日2018-11-21
公開日2019-10-09
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.498 Å)
主引用文献Structural insights into the G-loop dynamics of E. coli FtsY NG domain.
J.Struct.Biol., 208, 2019
6TB5
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BU of 6tb5 by Molmil
The crystal structure of the DPS2 from DEINOCOCCUS RADIODURANS to 1.83A resolution (sequentially soaked in CaCl2 [5mM] for 20 min, then in Ammonium iron(II) sulfate [10mM] for 2h).
分子名称: CALCIUM ION, DNA protection during starvation protein 2, FE (III) ION
著者Cuypers, M.G, McSweeney, S, Romao, C.V, Mitchell, E.P.
登録日2019-10-31
公開日2020-11-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献The crystal structure of the DPS2 from DEINOCOCCUS RADIODURANS to 1.83A resolution (sequentially soaked in CaCl2 [5mM] for 20 min, then in Ammonium iron(II) sulfate [10mM] for 2h).
To Be Published
2I5S
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BU of 2i5s by Molmil
Crystal structure of onconase with bound nucleic acid
分子名称: 5'-D(*A*(DU)P*GP*A)-3', P-30 protein
著者Bae, E, Lee, J.E, Raines, R.T, Wesenberg, G.E, Phillips Jr, G.N, Bitto, E, Bingman, C.A, Center for Eukaryotic Structural Genomics (CESG)
登録日2006-08-25
公開日2006-09-05
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural basis for catalysis by onconase.
J.Mol.Biol., 375, 2008
3JY1
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BU of 3jy1 by Molmil
Bacillus cereus Alkylpurine DNA Glycosylase AlkD Bound to DNA Containing an Abasic Site (across from C)
分子名称: DNA (5'-D(*AP*AP*AP*GP*CP*CP*CP*CP*CP*C)-3'), DNA (5'-D(*TP*GP*GP*GP*(3DR)P*GP*GP*CP*TP*T)-3'), alkylpurine DNA glycosylase AlkD
著者Rubinson, E.H, Eichman, B.F.
登録日2009-09-21
公開日2010-09-22
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.754 Å)
主引用文献An unprecedented nucleic acid capture mechanism for excision of DNA damage.
Nature, 468, 2010
6MRJ
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BU of 6mrj by Molmil
Crystal structure of H.pylori NikR in complex with DNA
分子名称: DNA (36-MER), MAGNESIUM ION, NICKEL (II) ION, ...
著者Pozharski, E, de Serrano, V.
登録日2018-10-13
公開日2019-11-20
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structure of H.pylori NikR in complex with DNA
To Be Published
6TC4
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BU of 6tc4 by Molmil
AA13 Lytic polysaccharide monooxygenase from Aspergillus oryzae measured with SSX
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, AoAA13, CHLORIDE ION, ...
著者Tandrup, T, Muderspach, S.J, Frandsen, K.E.H, Santoni, G, Poulsen, J.C.N, Lo Leggio, L.
登録日2019-11-05
公開日2020-03-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Further structural studies of the lytic polysaccharide monooxygenase AoAA13 belonging to the starch-active AA13 family
Amylase, 3(1), 2019
3D28
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BU of 3d28 by Molmil
Crystal structure of hcv ns5b polymerase with a novel benzisothiazole inhibitor
分子名称: (5S)-1-benzyl-3-(1,1-dioxido-1,2-benzisothiazol-3-yl)-4-hydroxy-5-(1-methylethyl)-1,5-dihydro-2H-pyrrol-2-one, RNA-directed RNA polymerase
著者Han, Q, Showalter, R.E, Zhao, Q, Kissinger, C.R.
登録日2008-05-07
公開日2009-05-19
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure-based design, synthesis, and biological evaluation of 1,1-dioxoisothiazole and benzo[b]thiophene-1,1-dioxide derivatives as novel inhibitors of hepatitis C virus NS5B polymerase.
Bioorg.Med.Chem.Lett., 18, 2008
6T8W
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BU of 6t8w by Molmil
Complement factor B in complex with (-)-4-(1-((5,7-Dimethyl-1H-indol-4-yl)methyl)piperidin-2-yl)benzoic acid
分子名称: 5,7-dimethyl-4-[[(2~{S})-2-phenylpiperidin-1-yl]methyl]-1~{H}-indole, Complement factor B, SULFATE ION, ...
著者Mainolfi, N, Ehara, T, Karki, R.G, Anderson, K, Sweeney, A.M, Wiesmann, C, Adams, C, Mainolfi, N, Liao, S.M, Argikar, U.A, Jendza, K, Zhang, C, Powers, J, Klosowski, D.W, Crowley, M, Kawanami, T, Ding, J, April, M, Forster, C, Wu, M.S, Capparelli, M, Ramqaj, R, Solovay, C, Cumin, F, Smith, T.M, Ferrara, L, Lee, W, Long, D, Prentiss, M, Erkenez, A.D, Yang, L, Fang, L, Sellner, H, Sirockin, F, Valeur, E, Erbel, P, Ramage, P, Gerhartz, B, Schubart, A, Flohr, S, Gradoux, N, Feifel, R, Vogg, B, Wiesmann, C, Maibaum, J, Eder, J, Sedrani, R, Harrison, R.A, Mogi, M, Jaffee, B.D, Adams, C.M.
登録日2019-10-25
公開日2020-03-04
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Discovery of 4-((2S,4S)-4-Ethoxy-1-((5-methoxy-7-methyl-1H-indol-4-yl)methyl)piperidin-2-yl)benzoic Acid (LNP023), a Factor B Inhibitor Specifically Designed To Be Applicable to Treating a Diverse Array of Complement Mediated Diseases.
J.Med.Chem., 63, 2020
1KBW
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BU of 1kbw by Molmil
CRYSTAL STRUCTURE OF THE SOLUBLE DOMAIN OF ANIA FROM NEISSERIA GONORRHOEAE
分子名称: COPPER (II) ION, Major outer membrane protein PAN 1
著者Boulanger, M.J, Murphy, M.E.P.
登録日2001-11-06
公開日2001-12-05
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structure of the soluble domain of the major anaerobically induced outer membrane protein (AniA) from pathogenic Neisseria: a new class of copper-containing nitrite reductases.
J.Mol.Biol., 315, 2002
6N9D
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BU of 6n9d by Molmil
Complex of tissue inhibitor of metalloproteinases-1 (TIMP-1) mutant (L34G/L133P/L151C/G154A) with matrix metalloproteinase-3 catalytic domain (MMP-3cd)
分子名称: CALCIUM ION, Metalloproteinase inhibitor 1, Stromelysin-1, ...
著者Raeeszadeh-Sarmazdeh, M, Radisky, E.S, Sankaran, B.
登録日2018-12-03
公開日2019-05-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.67 Å)
主引用文献Directed evolution of the metalloproteinase inhibitor TIMP-1 reveals that its N- and C-terminal domains cooperate in matrix metalloproteinase recognition.
J.Biol.Chem., 294, 2019
2NAC
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BU of 2nac by Molmil
HIGH RESOLUTION STRUCTURES OF HOLO AND APO FORMATE DEHYDROGENASE
分子名称: NAD-DEPENDENT FORMATE DEHYDROGENASE, SULFATE ION
著者Lamzin, V.S, Dauter, Z, Popov, V.O, Harutyunyan, E.H, Wilson, K.S.
登録日1994-07-06
公開日1995-01-26
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献High resolution structures of holo and apo formate dehydrogenase.
J.Mol.Biol., 236, 1994
2V5O
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BU of 2v5o by Molmil
STRUCTURE OF HUMAN IGF2R DOMAINS 11-14
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CATION-INDEPENDENT MANNOSE-6-PHOSPHATE RECEPTOR, CHLORIDE ION
著者Brown, J, Delaine, C, Zaccheo, O.J, Siebold, C, Gilbert, R.J, van Boxel, G, Denley, A, Wallace, J.C, Hassan, A.B, Forbes, B.E, Jones, E.Y.
登録日2007-07-06
公開日2007-12-11
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.91 Å)
主引用文献Structure and Functional Analysis of the Igf-II/Igf2R Interaction
Embo J., 27, 2008
5LGX
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BU of 5lgx by Molmil
Structure of Oxidised Pentaerythritol Tetranitrate Reductase
分子名称: FLAVIN MONONUCLEOTIDE, ISOPROPYL ALCOHOL, Pentaerythritol tetranitrate reductase
著者Kwon, H, Smith, O.M, Moody, P.C.E.
登録日2016-07-08
公開日2017-02-15
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Combining X-ray and neutron crystallography with spectroscopy.
Acta Crystallogr D Struct Biol, 73, 2017
4GYI
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BU of 4gyi by Molmil
Crystal structure of the Rio2 kinase-ADP/Mg2+-phosphoaspartate complex from Chaetomium thermophilum
分子名称: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Ferreira-Cerca, S, Sagar, V, Schafer, T, Diop, M, Wesseling, A.M, Lu, H, Chai, E, Hurt, E, LaRonde-LeBlanc, N.
登録日2012-09-05
公開日2012-10-17
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献ATPase-dependent role of the atypical kinase Rio2 on the evolving pre-40S ribosomal subunit.
Nat.Struct.Mol.Biol., 19, 2012
5UI1
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Crystal Structure of Human Protein Phosphatase 5C (PP5C) in complex with a triazole inhibitor
分子名称: 5-phenyl-1H-1,2,3-triazole-4-carboxylic acid, MANGANESE (II) ION, Serine/threonine-protein phosphatase 5
著者Chattopadhyay, D, Swingle, M.R, Salter, E.A, Banerjee, S, Honkanen, R.E.
登録日2017-01-12
公開日2018-01-17
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Crystal Structure Human PP5C in Complex with an Inhibitor
To Be Published

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