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3TLJ
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BU of 3tlj by Molmil
Crystal structure of Trm14 from Pyrococcus furiosus in complex with S-adenosyl-L-homocysteine
Descriptor: ACETATE ION, S-ADENOSYL-L-HOMOCYSTEINE, tRNA (guanine N2-)-methyltransferase Trm14
Authors:Fislage, M, Roovers, M, Tuszynska, I, Bujnicki, J.M, Droogmans, L, Versees, W.
Deposit date:2011-08-30
Release date:2012-03-14
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structures of the tRNA:m2G6 methyltransferase Trm14/TrmN from two domains of life.
Nucleic Acids Res., 40, 2012
3TM5
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BU of 3tm5 by Molmil
Crystal structure of Trm14 from Pyrococcus furiosus in complex with sinefungin
Descriptor: Crystal structure of Trm14, SINEFUNGIN
Authors:Fislage, M, Roovers, M, Tuszynska, I, Bujnicki, J.M, Droogmans, L, Versees, W.
Deposit date:2011-08-31
Release date:2012-03-14
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Crystal structures of the tRNA:m2G6 methyltransferase Trm14/TrmN from two domains of life.
Nucleic Acids Res., 40, 2012
3KZL
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BU of 3kzl by Molmil
Crystal structure of BA2930 mutant (H183G) in complex with AcCoA
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ACETYL COENZYME *A, Aminoglycoside N3-acetyltransferase, ...
Authors:Klimecka, M.M, Chruszcz, M, Porebski, P.J, Cymborowski, M, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2009-12-08
Release date:2009-12-22
Last modified:2022-04-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural Analysis of a Putative Aminoglycoside N-Acetyltransferase from Bacillus anthracis.
J.Mol.Biol., 410, 2011
6R8E
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BU of 6r8e by Molmil
SC14 G-hairpin
Descriptor: DNA (5'-D(*GP*TP*GP*TP*GP*TP*GP*GP*GP*TP*GP*TP*GP*T)-3')
Authors:Lenarcic Zivkovic, M, Trantirek, L, Plavec, J.
Deposit date:2019-04-01
Release date:2021-02-03
Last modified:2021-08-18
Method:SOLUTION NMR
Cite:Insight into formation propensity of pseudocircular DNA G-hairpins.
Nucleic Acids Res., 49, 2021
5JL4
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BU of 5jl4 by Molmil
Inhibitor resistant mutant catalytic core domain of HIV-1 Integrase
Descriptor: Integrase, SULFATE ION
Authors:Feng, L, Kobe, M, Kvaratskhelia, M.
Deposit date:2016-04-26
Release date:2017-10-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.758 Å)
Cite:Resistance to pyridine-based inhibitor KF116 reveals an unexpected role of integrase in HIV-1 Gag-Pol polyprotein proteolytic processing.
J. Biol. Chem., 292, 2017
3KZP
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BU of 3kzp by Molmil
Crystal structure of putative diguanylate cyclase/phosphodiesterase from Listaria monocytigenes
Descriptor: CACODYLATE ION, CALCIUM ION, CHLORIDE ION, ...
Authors:Klimecka, M.M, Chruszcz, M, Zimmerman, M.D, Kudritska, M, Savchenko, A, Edwards, A, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG)
Deposit date:2009-12-08
Release date:2009-12-22
Last modified:2022-04-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of putative diguanylate cyclase/phosphodiesterase from Listaria monocytigenes
To be Published
3KKD
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BU of 3kkd by Molmil
Structure of a putative tetr transcriptional regulator (pa3699) from pseudomonas aeruginosa pa01
Descriptor: POLYETHYLENE GLYCOL (N=34), SULFATE ION, TRIETHYLENE GLYCOL, ...
Authors:Filippova, E.V, Chruszcz, M, Cymborowski, M, Skarina, T, Savchenko, A, Edwards, A, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG)
Deposit date:2009-11-05
Release date:2009-12-15
Last modified:2022-04-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure of a Putative TetR Transcriptional Regulator (PA3699) from Pseudomonas Aeruginosa PA01
To be Published
6R35
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BU of 6r35 by Molmil
Structure of the LecB lectin from Pseudomonas aeruginosa strain PAO1 in complex with lewis x tetrasaccharide
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, Fucose-binding lectin PA-IIL, ...
Authors:Lepsik, M, Sommer, R, Kuhaudomlarp, S, Lelimousin, M, Varrot, A, Titz, A, Imberty, A.
Deposit date:2019-03-19
Release date:2019-06-12
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Induction of rare conformation of oligosaccharide by binding to calcium-dependent bacterial lectin: X-ray crystallography and modelling study.
Eur.J.Med.Chem., 177, 2019
3KLS
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BU of 3kls by Molmil
Structure of complement C5 in complex with SSL7
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CADMIUM ION, ...
Authors:Laursen, N.S, Gordon, N, Hermans, S, Lorenz, N, Jackson, N, Wines, B, Spillner, E, Christensen, J.B, Jensen, M, Fredslund, F, Bjerre, M, Sottrup-Jensen, L, Fraser, J.D, Andersen, G.R.
Deposit date:2009-11-09
Release date:2009-11-24
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Structural basis for inhibition of complement C5 by the SSL7 protein from Staphylococcus aureus
Proc.Natl.Acad.Sci.USA, 107, 2010
8HM1
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BU of 8hm1 by Molmil
crystal structure of human ubiquitin-like protein from Bacteroides fragilis
Descriptor: 1,2-ETHANEDIOL, Putative ubiquitin
Authors:Tong, M, Chen, Z, Gao, X.
Deposit date:2022-12-02
Release date:2023-11-29
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.29 Å)
Cite:Bacteroides fragilis ubiquitin homologue drives intraspecies bacterial competition in the gut microbiome.
Nat Microbiol, 9, 2024
6R73
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BU of 6r73 by Molmil
Structure of IMP-13 metallo-beta-lactamase complexed with hydrolysed meropenem
Descriptor: (2~{S},3~{R},4~{S})-2-[(2~{S},3~{R})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-[(3~{S},5~{S})-5-(dimethylcarbamoy l)pyrrolidin-3-yl]sulfanyl-3-methyl-3,4-dihydro-2~{H}-pyrrole-5-carboxylic acid, Beta-lactamase, ZINC ION
Authors:Softley, C.A, Zak, K, Kolonko, M, Sattler, M, Popowicz, G.
Deposit date:2019-03-28
Release date:2020-03-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure and Molecular Recognition Mechanism of IMP-13 Metallo-beta-Lactamase.
Antimicrob.Agents Chemother., 64, 2020
6R78
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BU of 6r78 by Molmil
Structure of IMP-13 metallo-beta-lactamase in apo form (loop closed)
Descriptor: 1,2-ETHANEDIOL, BETA-MERCAPTOETHANOL, Beta-lactamase, ...
Authors:Zak, K.M, Softley, C, Kolonko, M, Sattler, M, Popowicz, G.M.
Deposit date:2019-03-28
Release date:2020-04-01
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Structure and Molecular Recognition Mechanism of IMP-13 Metallo-beta-Lactamase.
Antimicrob.Agents Chemother., 64, 2020
8HM2
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BU of 8hm2 by Molmil
Crystal structure of human ubiquitin-like protein from bacteroides fragilis c terminal cysteine mutant
Descriptor: Putative ubiquitin
Authors:Tong, M, Chen, Z, Gao, X.
Deposit date:2022-12-02
Release date:2023-11-29
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:Bacteroides fragilis ubiquitin homologue drives intraspecies bacterial competition in the gut microbiome.
Nat Microbiol, 9, 2024
3TQ6
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BU of 3tq6 by Molmil
Crystal structure of human mitochondrial transcription factor A, TFAM or mtTFA, bound to the light strand promoter LSP
Descriptor: DI(HYDROXYETHYL)ETHER, DNA (5'-D(*GP*TP*TP*AP*GP*TP*TP*GP*GP*GP*GP*GP*GP*TP*GP*AP*CP*TP*GP*TP*TP*A)-3'), DNA (5'-D(*TP*AP*AP*CP*AP*GP*TP*CP*AP*CP*CP*CP*CP*CP*CP*AP*AP*CP*(BRU)P*AP*AP*C)-3'), ...
Authors:Rubio-Cosials, A, Sydow, J.F, Jimenez-Menendez, N, Fernandez-Millan, P, Montoya, J, Jacobs, H.T, Coll, M, Bernado, P, Sola, M.
Deposit date:2011-09-09
Release date:2011-11-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Human mitochondrial transcription factor A induces a U-turn structure in the light strand promoter.
Nat.Struct.Mol.Biol., 18, 2011
3TK5
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BU of 3tk5 by Molmil
Factor Xa in complex with D102-4380
Descriptor: 4-{3-[(4-chlorophenyl)amino]-3-oxopropyl}-3-({[5-(propan-2-yl)-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl]carbonyl}amino)benzoic acid, CALCIUM ION, Factor X heavy chain, ...
Authors:Suzuki, M, Mochizuki, A, Nagata, T, Takano, H, Kanno, H, Kishida, M, Ohta, T.
Deposit date:2011-08-25
Release date:2012-08-29
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Zwitter ionic potent durable orally active Factor Xa inhibitor.
To be Published
3KM9
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BU of 3km9 by Molmil
Structure of complement C5 in complex with the C-terminal beta-grasp domain of SSL7
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CADMIUM ION, ...
Authors:Laursen, N.S, Gordon, N, Hermans, S, Lorenz, N, Jackson, N, Wines, B, Spillner, E, Christensen, J.B, Jensen, M, Fredslund, F, Bjerre, M, Sottrup-Jensen, L, Fraser, J.D, Andersen, G.R.
Deposit date:2009-11-10
Release date:2009-12-01
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (4.2 Å)
Cite:Structural basis for inhibition of complement C5 by the SSL7 protein from Staphylococcus aureus
Proc.Natl.Acad.Sci.USA, 107, 2010
8HVA
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BU of 8hva by Molmil
Crystal structure of EGFR_TMX in complex with covalently bound compound 14
Descriptor: Epidermal growth factor receptor, ~{N}-[6-(1-methylindol-3-yl)pyrimidin-4-yl]prop-2-enamide
Authors:Takahashi, M, Dokurno, P.
Deposit date:2022-12-26
Release date:2023-12-13
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.77 Å)
Cite:A covalent fragment-based strategy targeting a novel cysteine to inhibit activity of mutant EGFR kinase.
Rsc Med Chem, 14, 2023
5JD5
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BU of 5jd5 by Molmil
Crystal structure of MGS-MilE3, an alpha/beta hydrolase enzyme from the metagenome of pyrene-phenanthrene enrichment culture with sediment sample of Milazzo Harbor, Italy
Descriptor: CHLORIDE ION, MGS-MilE3
Authors:Stogios, P.J, Xu, X, Cui, H, Martinez-Martinez, M, Chernikova, T.N, Golyshin, P.N, Yakimov, M.M, Ferrer, M, Savchenko, A.
Deposit date:2016-04-15
Release date:2016-05-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal structure of MGS-MilE3, an alpha/beta hydrolase enzyme from the metagenome of pyrene-phenanthrene enrichment culture with sediment sample of Milazzo Harbor, Italy
To Be Published
3U01
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BU of 3u01 by Molmil
Crystal structure of onconase double mutant C30A/C75A at 1.12 A resolution
Descriptor: ACETATE ION, Protein P-30, SULFATE ION
Authors:Kurpiewska, K, Torrent, G, Ribo, M, Vilanova, M, Loch, J, Lewinski, K.
Deposit date:2011-09-28
Release date:2011-12-21
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.12 Å)
Cite:Investigating the effects of double mutation C30A/C75A on onconase structure: Studies at atomic resolution.
Biopolymers, 101, 2014
3U1B
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BU of 3u1b by Molmil
Crystal structure of the S238R mutant of mycrocine immunity protein (MccF) with AMP
Descriptor: ADENOSINE MONOPHOSPHATE, Microcin immunity protein MccF
Authors:Nocek, B, Gu, M, Zhou, M, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2011-09-29
Release date:2011-11-30
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.604 Å)
Cite:Structural and Functional Characterization of Microcin C Resistance Peptidase MccF from Bacillus anthracis.
J.Mol.Biol., 420, 2012
6R79
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BU of 6r79 by Molmil
Structure of IMP-13 metallo-beta-lactamase in apo form (loop open)
Descriptor: BETA-MERCAPTOETHANOL, Beta-lactamase, GLYCEROL, ...
Authors:Zak, K.M, Softley, C, Kolonko, M, Sattler, M, Popowicz, G.M.
Deposit date:2019-03-28
Release date:2020-04-01
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure and Molecular Recognition Mechanism of IMP-13 Metallo-beta-Lactamase.
Antimicrob.Agents Chemother., 64, 2020
3U57
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BU of 3u57 by Molmil
Structures of Alkaloid Biosynthetic Glucosidases Decode Substrate Specificity
Descriptor: (2beta,7beta,16S,17R,19E,21beta)-21-(beta-D-glucopyranosyloxy)-2,7-dihydro-7,17-cyclosarpagan-17-yl acetate, CHLORIDE ION, Raucaffricine-O-beta-D-glucosidase
Authors:Xia, L, Ruppert, M, Wang, M, Panjikar, S, Lin, H, Rajendran, C, Barleben, L, Stoeckigt, J.
Deposit date:2011-10-11
Release date:2011-11-30
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Structures of alkaloid biosynthetic glucosidases decode substrate specificity.
Acs Chem.Biol., 7, 2012
3U5Y
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BU of 3u5y by Molmil
Structures of Alkaloid Biosynthetic Glucosidases Decode Substrate Specificity
Descriptor: CHLORIDE ION, Raucaffricine-O-beta-D-glucosidase, Secologanin
Authors:Xia, L, Ruppert, M, Wang, M, Panjikar, S, Lin, H, Rajendran, C, Barleben, L, Stoeckigt, J.
Deposit date:2011-10-11
Release date:2011-11-30
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structures of alkaloid biosynthetic glucosidases decode substrate specificity.
Acs Chem.Biol., 7, 2012
3TK6
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BU of 3tk6 by Molmil
factor Xa in complex with D46-5241
Descriptor: CALCIUM ION, Factor X heavy chain, Factor X light chain, ...
Authors:Suzuki, M, Mochizuki, A, Nagata, T, Takano, H, Kanno, H, Kishida, M, Ohta, T.
Deposit date:2011-08-25
Release date:2012-08-29
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Zwitter ionic potent durable orally active Factor Xa inhibitor.
To be Published
6RAE
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BU of 6rae by Molmil
Structural analysis of the Salmonella type III secretion system ATPase InvC
Descriptor: CHLORIDE ION, GLYCEROL, Secretory apparatus ATP synthase (Associated with virulence)
Authors:Bernal, I, Roemermann, J, Flacht, L, Lunelli, M, Uetrecht, C, Kolbe, M.
Deposit date:2019-04-05
Release date:2019-08-21
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.049 Å)
Cite:Structural analysis of ligand-bound states of the Salmonella type III secretion system ATPase InvC.
Protein Sci., 28, 2019

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