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8QJZ
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BU of 8qjz by Molmil
Crystal structure of E. coli LpxH in complex with lipid X
Descriptor: (R)-((2R,3S,4R,5R,6R)-3-HYDROXY-2-(HYDROXYMETHYL)-5-((R)-3-HYDROXYTETRADECANAMIDO)-6-(PHOSPHONOOXY)TETRAHYDRO-2H-PYRAN-4-YL) 3-HYDROXYTETRADECANOATE, MANGANESE (II) ION, UDP-2,3-diacylglucosamine hydrolase
Authors:Sooriyaarachchi, S, Bergfors, T, Jones, T.A, Mowbray, S.L.
Deposit date:2023-09-14
Release date:2024-04-17
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Antibiotic class with potent in vivo activity targeting lipopolysaccharide synthesis in Gram-negative bacteria.
Proc.Natl.Acad.Sci.USA, 121, 2024
8QKA
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BU of 8qka by Molmil
Structure of K. pneumoniae LpxH in complex with JEDI-852
Descriptor: 2-[methyl(methylsulfonyl)amino]-~{N}-(4-piperidin-1-ylsulfonylphenyl)benzamide, MANGANESE (II) ION, UDP-2,3-diacylglucosamine hydrolase
Authors:Sooriyaarachchi, S, Bergfors, T, Jones, T.A, Mowbray, S.L.
Deposit date:2023-09-14
Release date:2024-04-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:Antibiotic class with potent in vivo activity targeting lipopolysaccharide synthesis in Gram-negative bacteria.
Proc.Natl.Acad.Sci.USA, 121, 2024
8QK9
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BU of 8qk9 by Molmil
Structure of E. coli LpxH in complex with JEDI-1444
Descriptor: 2-[methyl(methylsulfonyl)amino]-~{N}-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylphenyl]benzamide, MANGANESE (II) ION, UDP-2,3-diacylglucosamine hydrolase
Authors:Sooriyaarachchi, S, Bergfors, T, Jones, T.A, Mowbray, S.L.
Deposit date:2023-09-14
Release date:2024-04-17
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Antibiotic class with potent in vivo activity targeting lipopolysaccharide synthesis in Gram-negative bacteria.
Proc.Natl.Acad.Sci.USA, 121, 2024
6H3L
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BU of 6h3l by Molmil
Structure of VgrG1 in the Type VI secretion "pre-firing" VgrG1-Tse6-EagT6-EF-Tu-Tsi6 complex
Descriptor: VgrG1
Authors:Quentin, D, Raunser, S.
Deposit date:2018-07-19
Release date:2018-09-12
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Mechanism of loading and translocation of type VI secretion system effector Tse6.
Nat Microbiol, 3, 2018
6H3N
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BU of 6h3n by Molmil
Structure of VgrG1 in the Type VI secretion VgrG1-Tse6-EF-Tu complex embedded in lipid nanodiscs
Descriptor: VgrG1
Authors:Quentin, D, Raunser, S.
Deposit date:2018-07-19
Release date:2018-09-12
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.25 Å)
Cite:Mechanism of loading and translocation of type VI secretion system effector Tse6.
Nat Microbiol, 3, 2018
6B12
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BU of 6b12 by Molmil
Structure of Tne2 in complex with Tni2
Descriptor: Tne2, Tni2
Authors:Tang, J.Y, Whitney, J.C.
Deposit date:2017-09-15
Release date:2017-12-20
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Diverse NADase effector families mediate interbacterial antagonism via the type VI secretion system.
J. Biol. Chem., 293, 2018
7RT7
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BU of 7rt7 by Molmil
Crystal structure of the RhsP2 C-terminal toxin domain in complex with its immunity protein, RhsI2
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, RhsI2, RhsP2
Authors:Bullen, N.P, Prehna, G, Whitney, J.C.
Deposit date:2021-08-12
Release date:2022-08-17
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:An ADP-ribosyltransferase toxin kills bacterial cells by modifying structured non-coding RNAs.
Mol.Cell, 82, 2022
5I7J
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BU of 5i7j by Molmil
Crystal Structure of Human SPLUNC1 Disulfide Mutant M3 (I76C, V214C)
Descriptor: BPI fold-containing family A member 1
Authors:Walton, W.G, Redinbo, M.R.
Deposit date:2016-02-17
Release date:2016-05-18
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.544 Å)
Cite:Structural Features Essential to the Antimicrobial Functions of Human SPLUNC1.
Biochemistry, 55, 2016
5I7K
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BU of 5i7k by Molmil
Crystal Structure of Human SPLUNC1 Dolphin Mutant D1 (G58A, S61A, G62E, G63D, G66D, I67T)
Descriptor: BPI fold-containing family A member 1
Authors:Walton, W.G, Redinbo, M.R.
Deposit date:2016-02-17
Release date:2016-05-18
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.552 Å)
Cite:Structural Features Essential to the Antimicrobial Functions of Human SPLUNC1.
Biochemistry, 55, 2016
5I7L
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BU of 5i7l by Molmil
Crystal Structure of SPLUNC1 Disulfide Mutant M2 (A48C, V253C)
Descriptor: BPI fold-containing family A member 1
Authors:Walton, W.G, Redinbo, M.R.
Deposit date:2016-02-17
Release date:2016-05-18
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.598 Å)
Cite:Structural Features Essential to the Antimicrobial Functions of Human SPLUNC1.
Biochemistry, 55, 2016
4J7T
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BU of 4j7t by Molmil
Human LTC4 synthase in complex with product analogs - implications for enzyme catalysis
Descriptor: D-gamma-glutamyl-S-(4-phenylbutyl)-L-cysteinylglycine, Leukotriene C4 synthase, NICKEL (II) ION, ...
Authors:Niegowski, D, Rinaldo-Matthis, A, Haeggstrom, J.Z.
Deposit date:2013-02-14
Release date:2014-01-01
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.203 Å)
Cite:Crystal Structures of Leukotriene C4 Synthase in Complex with Product Analogs: IMPLICATIONS FOR THE ENZYME MECHANISM.
J.Biol.Chem., 289, 2014
6SSS
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BU of 6sss by Molmil
Crystal structure of Human Microsomal Glutathione S-Transferase 2
Descriptor: 1-(8Z-hexadecenoyl)-sn-glycerol, GLYCEROL, Microsomal glutathione S-transferase 2, ...
Authors:Thulasingam, M, Nji, E, Haeggstrom, J.Z.
Deposit date:2019-09-09
Release date:2021-02-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.498 Å)
Cite:Crystal structures of human MGST2 reveal synchronized conformational changes regulating catalysis.
Nat Commun, 12, 2021
6SSW
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BU of 6ssw by Molmil
Crystal structure of Human Microsomal Glutathione S-Transferase 2 in complex with an Inhibitor Glutathione sulfonic acid
Descriptor: GLUTATHIONE SULFONIC ACID, Microsomal glutathione S-transferase 2
Authors:Thulasingam, M, Haeggstrom, J.Z.
Deposit date:2019-09-09
Release date:2021-02-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal structures of human MGST2 reveal synchronized conformational changes regulating catalysis.
Nat Commun, 12, 2021
6SSU
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BU of 6ssu by Molmil
Crystal structure of Human Microsomal Glutathione S-Transferase 2 in complex with co-substrate Glutathione
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, GLUTATHIONE, Microsomal glutathione S-transferase 2, ...
Authors:Thulasingam, M, Haeggstrom, J.Z.
Deposit date:2019-09-09
Release date:2021-02-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.499 Å)
Cite:Crystal structures of human MGST2 reveal synchronized conformational changes regulating catalysis.
Nat Commun, 12, 2021
4JRZ
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BU of 4jrz by Molmil
Human LTC4 synthase in complex with product analogs - implications for enzyme catalysis
Descriptor: Leukotriene C4 synthase, NICKEL (II) ION, PALMITIC ACID, ...
Authors:Niegowski, D, Rinaldo-Matthis, A, Haeggstrom, J.Z.
Deposit date:2013-03-22
Release date:2014-01-01
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal Structures of Leukotriene C4 Synthase in Complex with Product Analogs: IMPLICATIONS FOR THE ENZYME MECHANISM.
J.Biol.Chem., 289, 2014
4JCZ
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BU of 4jcz by Molmil
Human LTC4 synthase in complex with product analogs - implications for enzyme catalysis
Descriptor: Leukotriene C4 synthase, NICKEL (II) ION, PALMITIC ACID, ...
Authors:Niegowski, D, Rinaldo-Matthis, A, Haeggstrom, J.Z.
Deposit date:2013-02-22
Release date:2014-01-01
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Crystal Structures of Leukotriene C4 Synthase in Complex with Product Analogs: IMPLICATIONS FOR THE ENZYME MECHANISM.
J.Biol.Chem., 289, 2014
4JC7
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BU of 4jc7 by Molmil
Human LTC4 synthase in complex with product analogs - implications for enzyme catalysis
Descriptor: Leukotriene C4 synthase, NICKEL (II) ION, PALMITIC ACID, ...
Authors:Niegowski, D, Rinaldo-Matthis, A, Haeggstrom, J.Z.
Deposit date:2013-02-21
Release date:2014-01-01
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal Structures of Leukotriene C4 Synthase in Complex with Product Analogs: IMPLICATIONS FOR THE ENZYME MECHANISM.
J.Biol.Chem., 289, 2014
4J7Y
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BU of 4j7y by Molmil
Human LTC4 synthase in complex with product analogs - implications for enzyme catalysis
Descriptor: D-gamma-glutamyl-(Z)-N-(carboxymethylidene)-S-[(2R)-2-hydroxy-4-phenylbutyl]-L-cysteinamide, Leukotriene C4 synthase, NICKEL (II) ION, ...
Authors:Niegowski, D, Rinaldo-Matthis, A, Haeggstrom, J.Z.
Deposit date:2013-02-14
Release date:2014-01-01
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.901 Å)
Cite:Crystal Structures of Leukotriene C4 Synthase in Complex with Product Analogs: IMPLICATIONS FOR THE ENZYME MECHANISM.
J.Biol.Chem., 289, 2014
6SSR
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BU of 6ssr by Molmil
Crystal structure of Human Microsomal Glutathione S-Transferase 2 at 3.8 Angstroms resolution
Descriptor: Microsomal glutathione S-transferase 2
Authors:Thulasingam, M, Nji, E, Rinaldo-Matthis, A, Haeggstrom, J.Z.
Deposit date:2019-09-09
Release date:2021-02-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.8 Å)
Cite:Crystal structures of human MGST2 reveal synchronized conformational changes regulating catalysis.
Nat Commun, 12, 2021
3QMM
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BU of 3qmm by Molmil
Structure of 6B, a thermostable mutant of Bacillus subtilis lipase obtained through directed evolution
Descriptor: Lipase estA
Authors:Sankaranarayanan, R, Kamal, M.Z.
Deposit date:2011-02-04
Release date:2011-10-05
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:In vitro evolved non-aggregating and thermostable lipase: structural and thermodynamic investigation
J.Mol.Biol., 413, 2011
5Y81
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BU of 5y81 by Molmil
NuA4 TEEAA sub-complex
Descriptor: Actin, Actin-related protein 4, Chromatin modification-related protein EAF1, ...
Authors:Wang, X, Cai, G.
Deposit date:2017-08-18
Release date:2018-04-18
Last modified:2019-11-06
Method:ELECTRON MICROSCOPY (4.7 Å)
Cite:Architecture of the Saccharomyces cerevisiae NuA4/TIP60 complex
Nat Commun, 9, 2018
5YWW
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BU of 5yww by Molmil
Archael RuvB-like Holiday junction helicase
Descriptor: GLYCEROL, Nucleotide binding protein PINc
Authors:Zhai, B, Yuan, Z, Han, X, DuPrez, K, Shen, Y, Fan, L.
Deposit date:2017-11-30
Release date:2018-06-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:The archaeal ATPase PINA interacts with the helicase Hjm via its carboxyl terminal KH domain remodeling and processing replication fork and Holliday junction.
Nucleic Acids Res., 46, 2018
6AXJ
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BU of 6axj by Molmil
Crystal structure of the Yaf9 YEATS domain bound to H3K27ac
Descriptor: ALY-SER-ALA-PRO-ALA, GLYCEROL, Protein AF-9 homolog, ...
Authors:Klein, B.J, Kutateladze, T.G.
Deposit date:2017-09-06
Release date:2017-11-22
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.379 Å)
Cite:Yaf9 subunit of the NuA4 and SWR1 complexes targets histone H3K27ac through its YEATS domain.
Nucleic Acids Res., 46, 2018
1T2N
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BU of 1t2n by Molmil
Structure of a thermostable triple mutant of Bacillus subtilis lipase obtained through directed evolution
Descriptor: Lipase, POTASSIUM ION
Authors:Rajakumara, E, Sankaranarayanan, R.
Deposit date:2004-04-22
Release date:2004-11-23
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural basis of selection and thermostability of laboratory evolved Bacillus subtilis lipase.
J.Mol.Biol., 341, 2004
6V2F
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BU of 6v2f by Molmil
Crystal structure of the HIV capsid hexamer bound to the small molecule long-acting inhibitor, GS-6207
Descriptor: HIV-1 capsid, N-[(1S)-1-(3-{4-chloro-3-[(methylsulfonyl)amino]-1-(2,2,2-trifluoroethyl)-1H-indazol-7-yl}-6-[3-methyl-3-(methylsulfonyl)but-1-yn-1-yl]pyridin-2-yl)-2-(3,5-difluorophenyl)ethyl]-2-[(3bS,4aR)-5,5-difluoro-3-(trifluoromethyl)-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl]acetamide
Authors:Appleby, T.C, Link, J.O, Yant, S.R, Villasenor, A.G, Somoza, J.R, Hu, E.Y, Schroeder, S.D, Cihlar, T.
Deposit date:2019-11-22
Release date:2020-07-01
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:Clinical targeting of HIV capsid protein with a long-acting small molecule.
Nature, 584, 2020

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