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5KUB
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BU of 5kub by Molmil
Bacillus cereus DNA glycosylase AlkD bound to 7-methylguanine nucleobase and DNA containing an oxocarbenium-intermediate analog
分子名称: 2-amino-7-methyl-1,7-dihydro-6H-purin-6-one, DNA (5'-D(*CP*CP*CP*GP*AP*(NRI)P*AP*GP*TP*CP*CP*G)-3'), DNA (5'-D(*CP*GP*GP*AP*CP*TP*CP*TP*CP*GP*GP*G)-3'), ...
著者Mullins, E.A, Eichman, B.F.
登録日2016-07-13
公開日2016-09-14
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献A Catalytic Role for C-H/ pi Interactions in Base Excision Repair by Bacillus cereus DNA Glycosylase AlkD.
J.Am.Chem.Soc., 138, 2016
1OG1
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BU of 1og1 by Molmil
CRYSTAL STRUCTURE OF THE EUCARYOTIC MONO-ADP-RIBOSYLTRANSFERASE ART2.2 IN COMPLEX WITH TAD
分子名称: BETA-METHYLENE-THIAZOLE-4-CARBOXYAMIDE-ADENINE DINUCLEOTIDE, T-CELL ECTO-ADP-RIBOSYLTRANSFERASE 2
著者Ritter, H, Koch-Nolte, F, Marquez, V.E, Schulz, G.E.
登録日2003-04-23
公開日2003-08-28
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Substrate Binding and Catalysis of Ecto-Adp-Ribosyltransferase 2.2 From Rat
Biochemistry, 42, 2003
1U3R
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BU of 1u3r by Molmil
Crystal Structure of Estrogen Receptor beta complexed with WAY-338
分子名称: 2-(5-HYDROXY-NAPHTHALEN-1-YL)-1,3-BENZOOXAZOL-6-OL, Estrogen receptor beta, steroid receptor coactivator-1
著者Malamas, M.S, Manas, E.S, McDevitt, R.E, Gunawan, I, Xu, Z.B, Collini, M.D, Miller, C.P, Dinh, T, Henderson, R.A, Keith Jr, J.C, Harris, H.A.
登録日2004-07-22
公開日2005-07-26
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Design and synthesis of aryl diphenolic azoles as potent and selective estrogen receptor-beta ligands.
J.Med.Chem., 47, 2004
6AQR
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BU of 6aqr by Molmil
SAGA DUB module Ubp8(C146A)/Sgf11/Sus1/Sgf73 bound to monoubiquitin
分子名称: Polyubiquitin-C, SAGA-associated factor 11, SAGA-associated factor 73, ...
著者Morrow, M.E, Morgan, M.T, Wolberger, C.
登録日2017-08-21
公開日2018-07-04
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Active site alanine mutations convert deubiquitinases into high-affinity ubiquitin-binding proteins.
EMBO Rep., 19, 2018
6AS8
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BU of 6as8 by Molmil
F9 pilus adhesin FmlH lectin domain from E. coli UTI89 co-crystallized with ortho-biphenyl-2'-carboxyl N-acetyl-beta-galactosaminoside
分子名称: Fml fimbrial adhesin FmlD, ortho-biphenyl-2'-carboxyl N-acetyl-beta-galactosaminoside
著者Kalas, V, Hultgren, S.J.
登録日2017-08-23
公開日2018-02-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.101 Å)
主引用文献Structure-based discovery of glycomimetic FmlH ligands as inhibitors of bacterial adhesion during urinary tract infection.
Proc.Natl.Acad.Sci.USA, 115, 2018
3IFS
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BU of 3ifs by Molmil
2.0 Angstrom Resolution Crystal Structure of Glucose-6-phosphate Isomerase (pgi) from Bacillus anthracis.
分子名称: CHLORIDE ION, Glucose-6-phosphate isomerase, LITHIUM ION, ...
著者Minasov, G, Wawrzak, Z, Onopriyenko, O, Gordon, E, Peterson, S.N, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2009-07-24
公開日2009-08-11
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (2.004 Å)
主引用文献2.0 Angstrom Resolution Crystal Structure of Glucose-6-phosphate Isomerase (pgi) from Bacillus anthracis.
To be Published
2DRM
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BU of 2drm by Molmil
Acanthamoeba myosin I SH3 domain bound to Acan125
分子名称: 18-mer peptide from Acan125, Acanthamoeba Myosin IB, GLYCEROL, ...
著者Houdusse, A, Bahloul, A, Ostap, E.M.
登録日2006-06-09
公開日2007-05-29
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献The crystal structure of the SH3 domain of Acanthamoeba myosin IB bound to Acan125
To be Published
1U7T
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BU of 1u7t by Molmil
Crystal Structure of ABAD/HSD10 with a Bound Inhibitor
分子名称: 1-AZEPAN-1-YL-2-PHENYL-2-(4-THIOXO-1,4-DIHYDRO-PYRAZOLO[3,4-D]PYRIMIDIN-5-YL)ETHANONE ADDUCT, 3-hydroxyacyl-CoA dehydrogenase type II, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Kissinger, C.R, Rejto, P.A, Pelletier, L.A, Showalter, R.E, Villafranca, J.E.
登録日2004-08-04
公開日2004-10-05
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of human ABAD/HSD10 with a bound inhibitor: implications for design of Alzheimer's disease therapeutics
J.Mol.Biol., 342, 2004
5L11
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BU of 5l11 by Molmil
Human Liver Receptor Homologue-1 (LRH-1) Bound to RJW100 and a Fragment of TIF-2
分子名称: (1R,3aR,6aR)-5-hexyl-4-phenyl-3a-(1-phenylethenyl)-1,2,3,3a,6,6a-hexahydropentalen-1-ol, Nuclear receptor subfamily 5 group A member 2, Tif2
著者Mays, S.G, Ortlund, E.A.
登録日2016-07-28
公開日2016-10-12
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.849 Å)
主引用文献Crystal Structures of the Nuclear Receptor, Liver Receptor Homolog 1, Bound to Synthetic Agonists.
J. Biol. Chem., 291, 2016
1E0P
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BU of 1e0p by Molmil
L intermediate of bacteriorhodopsin
分子名称: BACTERIORHODOPSIN, GROUND STATE, RETINAL
著者Royant, A, Edman, K, Ursby, T, Pebay-Peyroula, E, Landau, E.M, Neutze, R.
登録日2000-04-04
公開日2000-08-19
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Helix Deformation is Coupled to Vectorial Proton Transport in Bacteriorhodopsin'S Photocycle
Nature, 406, 2000
3M2R
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BU of 3m2r by Molmil
Structural Insight into Methyl-Coenzyme M Reductase Chemistry using Coenzyme B Analogues
分子名称: 1,2-ETHANEDIOL, 1-THIOETHANESULFONIC ACID, Coenzyme B, ...
著者Cedervall, P.E, Dey, M, Ragsdale, S.W, Wilmot, C.M.
登録日2010-03-08
公開日2010-09-15
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Structural insight into methyl-coenzyme M reductase chemistry using coenzyme B analogues.
Biochemistry, 49, 2010
5L4I
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BU of 5l4i by Molmil
Crystal Structure of Human Transthyretin in Complex with Clonixin
分子名称: 2-(3-chloro-2-methylanilino)pyridine-3-carboxylic acid, SODIUM ION, Transthyretin
著者Grundstrom, C, Hall, M, Zhang, J, Olofsson, A, Andersson, P, Sauer-Eriksson, A.E.
登録日2016-05-25
公開日2016-10-05
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Structure-Based Virtual Screening Protocol for in Silico Identification of Potential Thyroid Disrupting Chemicals Targeting Transthyretin.
Environ. Sci. Technol., 50, 2016
4MK4
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BU of 4mk4 by Molmil
S197C variant of human ferrochelatase.
分子名称: CHOLIC ACID, FE2/S2 (INORGANIC) CLUSTER, Ferrochelatase, ...
著者Lanzilotta, W.N, Medlock, A.E, Dailey, T.E, Dailey, H.A.
登録日2013-09-04
公開日2013-09-25
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献S197C variant of human ferrochelatase.
To be Published
6AWD
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BU of 6awd by Molmil
Structure of 30S (S1 depleted) ribosomal subunit and RNA polymerase complex
分子名称: 16S rRNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ...
著者Demo, G, Rasouly, A, Vasilyev, N, Loveland, A.B, Diaz-Avalos, R, Grigorieff, N, Nudler, E, Korostelev, A.A.
登録日2017-09-05
公開日2017-10-18
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (8.1 Å)
主引用文献Structure of RNA polymerase bound to ribosomal 30S subunit.
Elife, 6, 2017
4I8V
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BU of 4i8v by Molmil
Human Cytochrome P450 1A1 in complex with alpha-naphthoflavone
分子名称: 2-PHENYL-4H-BENZO[H]CHROMEN-4-ONE, Cytochrome P450 1A1, NITRATE ION, ...
著者Walsh, A.A, Scott, E.E.
登録日2012-12-04
公開日2013-02-27
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Human Cytochrome P450 1A1 Structure and Utility in Understanding Drug and Xenobiotic Metabolism.
J.Biol.Chem., 288, 2013
4I9Q
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BU of 4i9q by Molmil
Crystal structure of the ternary complex of the D714A mutant of RB69 DNA polymerase
分子名称: 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]guanosine, CALCIUM ION, DNA (5'-D(*GP*CP*GP*GP*AP*CP*TP*GP*CP*TP*TP*AP*C)-3'), ...
著者Guja, K.E, Jacewicz, A, Trzemecka, A, Plochocka, D, Yakubovskaya, E, Bebenek, A, Garcia-Diaz, M.
登録日2012-12-05
公開日2013-10-09
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献A Remote Palm Domain Residue of RB69 DNA Polymerase Is Critical for Enzyme Activity and Influences the Conformation of the Active Site.
Plos One, 8, 2013
4DTD
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BU of 4dtd by Molmil
Structure and functional characterization of a Vibrio cholerae toxin from the MARTX/VgrG family.
分子名称: GLYCEROL, VgrG protein
著者Durand, E, Audoly, G, Derrez, E, Spinelli, S, Ortiz-Lombardia, M, Cascales, E, Raoult, D, Cambillau, C.
登録日2012-02-21
公開日2012-08-29
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure and functional characterization of a Vibrio cholerae toxin from the MARTX/VgrG family.
J.Biol.Chem., 2012
7F9Y
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BU of 7f9y by Molmil
ghrelin-bound ghrelin receptor in complex with Gq
分子名称: CHOLESTEROL, Engineered G-alpha-q subunit, Ghrelin-28, ...
著者Wang, Y, Zhuang, Y, Xu, P, Xu, H.E, Jiang, Y.
登録日2021-07-05
公開日2021-08-18
最終更新日2022-03-16
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Molecular recognition of an acyl-peptide hormone and activation of ghrelin receptor.
Nat Commun, 12, 2021
7F9Z
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BU of 7f9z by Molmil
GHRP-6-bound ghrelin receptor in complex with Gq
分子名称: 3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.]PYRAZOLE, Engineered G-alpha-q, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Wang, Y, Zhuang, Y, Xu, P, Xu, H.E, Jiang, Y.
登録日2021-07-05
公開日2021-08-18
最終更新日2022-03-16
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Molecular recognition of an acyl-peptide hormone and activation of ghrelin receptor.
Nat Commun, 12, 2021
5L7R
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BU of 5l7r by Molmil
Crystal structure of BvGH123
分子名称: 1,2-ETHANEDIOL, glycoside hydrolase
著者Roth, C, Petricevic, M, John, A, Goddard-Borger, E.D, Davies, G.J, Williams, S.J.
登録日2016-06-03
公開日2017-03-22
最終更新日2017-08-30
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structural and mechanistic insights into a Bacteroides vulgatus retaining N-acetyl-beta-galactosaminidase that uses neighbouring group participation.
Chem. Commun. (Camb.), 52, 2016
4HQC
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BU of 4hqc by Molmil
Crystal structure of a green-to-red photoconvertible DRONPA, pcDRONPA in the red-on-state
分子名称: DI(HYDROXYETHYL)ETHER, Fluorescent protein Dronpa, TETRAETHYLENE GLYCOL, ...
著者Nguyen Bich, N, Van Meervelt, L.
登録日2012-10-25
公開日2013-11-13
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Green-to-red photoconvertible Dronpa mutant for multimodal super-resolution fluorescence microscopy
ACS Nano, 8, 2014
7F16
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BU of 7f16 by Molmil
Cryo-EM structure of parathyroid hormone receptor type 2 in complex with a tuberoinfundibular peptide of 39 residues and G protein
分子名称: CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
著者Wang, X, Cheng, X, Zhao, L.H, Wang, Y, Ye, C, Zou, X, Dai, A, Cong, Z, Chen, J, Zhou, Q, Xia, T, Jiang, H, Xu, H.E, Yang, D, Wang, M.W.
登録日2021-06-08
公開日2021-08-18
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Molecular insights into differentiated ligand recognition of the human parathyroid hormone receptor 2.
Proc.Natl.Acad.Sci.USA, 118, 2021
7EZK
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BU of 7ezk by Molmil
Cryo-EM structure of an activated Cholecystokinin A receptor (CCKAR)-Gs complex
分子名称: Chimera of Guanine nucleotide-binding protein G(i) subunit alpha-1 and Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, Cholecystokinin receptor type A, Cholecystokinin-8, ...
著者Liu, Q.F, Yang, D.H, Zhuang, Y.W, Croll, T.I, Cai, X.Q, Duan, J, Dai, A.T, Yin, W.C, Ye, C.Y, Zhou, F.L, Wu, B.L, Zhao, Q, Xu, H.E, Wang, M.W, Jiang, Y.
登録日2021-06-01
公開日2021-08-25
最終更新日2022-06-29
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Ligand recognition and G-protein coupling selectivity of cholecystokinin A receptor
Nat.Chem.Biol., 17, 2021
5LBG
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BU of 5lbg by Molmil
Crystal structure of the Mycobacterium tuberculosis L,D-transpeptidase-2 (LdtMt2) BC-module with faropenem-derived adduct at the active site cysteine-354
分子名称: (3S)-3-HYDROXYBUTANOIC ACID, L,D-transpeptidase 2
著者Steiner, E.M, Schnell, R, Schneider, G.
登録日2016-06-16
公開日2017-01-18
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Binding and processing of beta-lactam antibiotics by the transpeptidase LdtMt2 from Mycobacterium tuberculosis.
FEBS J., 284, 2017
5TIR
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BU of 5tir by Molmil
Crystal Structure of Mn Superoxide Dismutase mutant M27V from Trichoderma reesei
分子名称: MANGANESE (II) ION, Superoxide dismutase
著者Mendoza, E.R, Brandao-Neto, J, Pereira, H.M, Ferreira Junior, J.R.S, Garratt, R.C.
登録日2016-10-03
公開日2017-10-11
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Crystal Structure of Mn Superoxide Dismutase mutant M27V from Trichoderma reesei
To Be Published

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