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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
Descriptor: 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'), ...
Authors:Mullins, E.A, Eichman, B.F.
Deposit date:2016-07-13
Release date:2016-09-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.73 Å)
Cite: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
Descriptor: BETA-METHYLENE-THIAZOLE-4-CARBOXYAMIDE-ADENINE DINUCLEOTIDE, T-CELL ECTO-ADP-RIBOSYLTRANSFERASE 2
Authors:Ritter, H, Koch-Nolte, F, Marquez, V.E, Schulz, G.E.
Deposit date:2003-04-23
Release date:2003-08-28
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
Descriptor: 2-(5-HYDROXY-NAPHTHALEN-1-YL)-1,3-BENZOOXAZOL-6-OL, Estrogen receptor beta, steroid receptor coactivator-1
Authors: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.
Deposit date:2004-07-22
Release date:2005-07-26
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.21 Å)
Cite: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
Descriptor: Polyubiquitin-C, SAGA-associated factor 11, SAGA-associated factor 73, ...
Authors:Morrow, M.E, Morgan, M.T, Wolberger, C.
Deposit date:2017-08-21
Release date:2018-07-04
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.1 Å)
Cite: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
Descriptor: Fml fimbrial adhesin FmlD, ortho-biphenyl-2'-carboxyl N-acetyl-beta-galactosaminoside
Authors:Kalas, V, Hultgren, S.J.
Deposit date:2017-08-23
Release date:2018-02-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.101 Å)
Cite: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.
Descriptor: CHLORIDE ION, Glucose-6-phosphate isomerase, LITHIUM ION, ...
Authors:Minasov, G, Wawrzak, Z, Onopriyenko, O, Gordon, E, Peterson, S.N, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2009-07-24
Release date:2009-08-11
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2.004 Å)
Cite: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
Descriptor: 18-mer peptide from Acan125, Acanthamoeba Myosin IB, GLYCEROL, ...
Authors:Houdusse, A, Bahloul, A, Ostap, E.M.
Deposit date:2006-06-09
Release date:2007-05-29
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.35 Å)
Cite: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
Descriptor: 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
Authors:Kissinger, C.R, Rejto, P.A, Pelletier, L.A, Showalter, R.E, Villafranca, J.E.
Deposit date:2004-08-04
Release date:2004-10-05
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
Descriptor: (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
Authors:Mays, S.G, Ortlund, E.A.
Deposit date:2016-07-28
Release date:2016-10-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.849 Å)
Cite: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
Descriptor: BACTERIORHODOPSIN, GROUND STATE, RETINAL
Authors:Royant, A, Edman, K, Ursby, T, Pebay-Peyroula, E, Landau, E.M, Neutze, R.
Deposit date:2000-04-04
Release date:2000-08-19
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, 1-THIOETHANESULFONIC ACID, Coenzyme B, ...
Authors:Cedervall, P.E, Dey, M, Ragsdale, S.W, Wilmot, C.M.
Deposit date:2010-03-08
Release date:2010-09-15
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (1.3 Å)
Cite: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
Descriptor: 2-(3-chloro-2-methylanilino)pyridine-3-carboxylic acid, SODIUM ION, Transthyretin
Authors:Grundstrom, C, Hall, M, Zhang, J, Olofsson, A, Andersson, P, Sauer-Eriksson, A.E.
Deposit date:2016-05-25
Release date:2016-10-05
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.45 Å)
Cite: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.
Descriptor: CHOLIC ACID, FE2/S2 (INORGANIC) CLUSTER, Ferrochelatase, ...
Authors:Lanzilotta, W.N, Medlock, A.E, Dailey, T.E, Dailey, H.A.
Deposit date:2013-09-04
Release date:2013-09-25
Method:X-RAY DIFFRACTION (2.5 Å)
Cite: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
Descriptor: 16S rRNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ...
Authors:Demo, G, Rasouly, A, Vasilyev, N, Loveland, A.B, Diaz-Avalos, R, Grigorieff, N, Nudler, E, Korostelev, A.A.
Deposit date:2017-09-05
Release date:2017-10-18
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (8.1 Å)
Cite: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
Descriptor: 2-PHENYL-4H-BENZO[H]CHROMEN-4-ONE, Cytochrome P450 1A1, NITRATE ION, ...
Authors:Walsh, A.A, Scott, E.E.
Deposit date:2012-12-04
Release date:2013-02-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite: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
Descriptor: 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'), ...
Authors:Guja, K.E, Jacewicz, A, Trzemecka, A, Plochocka, D, Yakubovskaya, E, Bebenek, A, Garcia-Diaz, M.
Deposit date:2012-12-05
Release date:2013-10-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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.
Descriptor: GLYCEROL, VgrG protein
Authors:Durand, E, Audoly, G, Derrez, E, Spinelli, S, Ortiz-Lombardia, M, Cascales, E, Raoult, D, Cambillau, C.
Deposit date:2012-02-21
Release date:2012-08-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite: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
Descriptor: CHOLESTEROL, Engineered G-alpha-q subunit, Ghrelin-28, ...
Authors:Wang, Y, Zhuang, Y, Xu, P, Xu, H.E, Jiang, Y.
Deposit date:2021-07-05
Release date:2021-08-18
Last modified:2022-03-16
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite: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
Descriptor: 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, ...
Authors:Wang, Y, Zhuang, Y, Xu, P, Xu, H.E, Jiang, Y.
Deposit date:2021-07-05
Release date:2021-08-18
Last modified:2022-03-16
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, glycoside hydrolase
Authors:Roth, C, Petricevic, M, John, A, Goddard-Borger, E.D, Davies, G.J, Williams, S.J.
Deposit date:2016-06-03
Release date:2017-03-22
Last modified:2017-08-30
Method:X-RAY DIFFRACTION (1.85 Å)
Cite: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
Descriptor: DI(HYDROXYETHYL)ETHER, Fluorescent protein Dronpa, TETRAETHYLENE GLYCOL, ...
Authors:Nguyen Bich, N, Van Meervelt, L.
Deposit date:2012-10-25
Release date:2013-11-13
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.05 Å)
Cite: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
Descriptor: 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, ...
Authors: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.
Deposit date:2021-06-08
Release date:2021-08-18
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite: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
Descriptor: 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, ...
Authors: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.
Deposit date:2021-06-01
Release date:2021-08-25
Last modified:2022-06-29
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite: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
Descriptor: (3S)-3-HYDROXYBUTANOIC ACID, L,D-transpeptidase 2
Authors:Steiner, E.M, Schnell, R, Schneider, G.
Deposit date:2016-06-16
Release date:2017-01-18
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.54 Å)
Cite: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
Descriptor: MANGANESE (II) ION, Superoxide dismutase
Authors:Mendoza, E.R, Brandao-Neto, J, Pereira, H.M, Ferreira Junior, J.R.S, Garratt, R.C.
Deposit date:2016-10-03
Release date:2017-10-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Crystal Structure of Mn Superoxide Dismutase mutant M27V from Trichoderma reesei
To Be Published

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