5L7A
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![BU of 5l7a by Molmil](/molmil-images/mine/5l7a) | The crystal structure of the Human SNF5/INI1 domain | Descriptor: | SWI/SNF-related matrix-associated actin-dependent regulator of chromatin subfamily B member 1 | Authors: | Allen, M.D, Zinzalla, G, Bycroft, M. | Deposit date: | 2016-06-02 | Release date: | 2017-05-10 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.102 Å) | Cite: | The structure of INI1/hSNF5 RPT1 and its interactions with the c-MYC:MAX heterodimer provide insights into the interplay between MYC and the SWI/SNF chromatin remodeling complex. FEBS J., 285, 2018
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5L7B
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![BU of 5l7b by Molmil](/molmil-images/mine/5l7b) | Solution structure of the human SNF5/INI1 domain | Descriptor: | SWI/SNF-related matrix-associated actin-dependent regulator of chromatin subfamily B member 1 | Authors: | Allen, M.D, Zinzalla, G, Bycroft, M. | Deposit date: | 2016-06-02 | Release date: | 2017-05-10 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | The structure of INI1/hSNF5 RPT1 and its interactions with the c-MYC:MAX heterodimer provide insights into the interplay between MYC and the SWI/SNF chromatin remodeling complex. FEBS J., 285, 2018
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1SBE
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![BU of 1sbe by Molmil](/molmil-images/mine/1sbe) | SOYBEAN AGGLUTININ FROM GLYCINE MAX | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, MANGANESE (II) ION, ... | Authors: | Dessen, A, Olsen, L.R, Gupta, D, Sabesan, S, Sacchettini, J.C, Brewer, C.F. | Deposit date: | 1995-07-13 | Release date: | 1998-04-22 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | X-ray crystallographic studies of unique cross-linked lattices between four isomeric biantennary oligosaccharides and soybean agglutinin. Biochemistry, 36, 1997
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7AYS
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8C8A
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![BU of 8c8a by Molmil](/molmil-images/mine/8c8a) | The NMR structure of the MAX28 effector from Magnaporthe oryzae | Descriptor: | But2 domain-containing protein | Authors: | Lahfa, M, Padilla, A, de Guillen, K, Kroj, T, Roumestand, C, Barthe, P. | Deposit date: | 2023-01-19 | Release date: | 2024-02-14 | Method: | SOLUTION NMR | Cite: | 1H, 15N Backbone and side-chain NMR assignments for a MAX effector from Magnaporthe oryzae To Be Published
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2KYQ
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![BU of 2kyq by Molmil](/molmil-images/mine/2kyq) | 1H, 15N, 13C chemical shifts and structure of CKR-brazzein | Descriptor: | Defensin-like protein | Authors: | Dittli, S.M, Assadi-Porter, F.M, Rao, H, Tonelli, M. | Deposit date: | 2010-06-07 | Release date: | 2011-05-18 | Last modified: | 2011-11-30 | Method: | SOLUTION NMR | Cite: | Structural role of the terminal disulfide bond in the sweetness of brazzein. Chem Senses, 36, 2011
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2L07
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![BU of 2l07 by Molmil](/molmil-images/mine/2l07) | 1H, 13C, and 15N chemical shifts and structure of brazzein-derived peptide CKR-PNG | Descriptor: | Defensin-like protein | Authors: | Dittli, S.M, Assadi-Porter, F.M, Rao, H, Tonelli, M. | Deposit date: | 2010-06-30 | Release date: | 2011-06-22 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Structural role of the terminal disulfide bond in the sweetness of brazzein. Chem Senses, 36, 2011
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3PF4
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![BU of 3pf4 by Molmil](/molmil-images/mine/3pf4) | Crystal structure of Bs-CspB in complex with r(GUCUUUA) | Descriptor: | Cold shock protein cspB, MAGNESIUM ION, SODIUM ION, ... | Authors: | Sachs, R, Max, K.E.A, Heinemann, U. | Deposit date: | 2010-10-27 | Release date: | 2011-09-21 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | RNA single strands bind to a conserved surface of the major cold shock protein in crystals and solution. Rna, 18, 2012
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3PF5
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7CKA
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2Y3P
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![BU of 2y3p by Molmil](/molmil-images/mine/2y3p) | Crystal structure of N-terminal domain of GyrA with the antibiotic simocyclinone D8 | Descriptor: | DNA GYRASE SUBUNIT A, MAGNESIUM ION, SIMOCYCLINONE D8 | Authors: | Edwards, M.J, Flatman, R.H, Mitchenall, L.A, Stevenson, C.E.M, Le, T.B.K, Clarke, T.A, McKay, A.R, Fiedler, H.-P, Buttner, M.J, Lawson, D.M, Maxwell, A. | Deposit date: | 2010-12-22 | Release date: | 2010-12-29 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.62 Å) | Cite: | A Crystal Structure of the Bifunctional Antibiotic Simocyclinone D8, Bound to DNA Gyrase. Science, 326, 2009
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2Y31
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![BU of 2y31 by Molmil](/molmil-images/mine/2y31) | Simocyclinone C4 bound form of TetR-like repressor SimR | Descriptor: | CALCIUM ION, CHLORIDE ION, PENTAETHYLENE GLYCOL, ... | Authors: | Le, T.B.K, Stevenson, C.E.M, Fiedler, H.-P, Maxwell, A, Lawson, D.M, Buttner, M.J. | Deposit date: | 2010-12-17 | Release date: | 2011-03-09 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structures of the Tetr-Like Simocyclinone Efflux Pump Repressor, Simr, and the Mechanism of Ligand-Mediated Derepression. J.Mol.Biol., 408, 2011
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2Y30
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![BU of 2y30 by Molmil](/molmil-images/mine/2y30) | Simocyclinone D8 bound form of TetR-like repressor SimR | Descriptor: | CHLORIDE ION, PUTATIVE REPRESSOR SIMREG2, SIMOCYCLINONE D8 | Authors: | Le, T.B.K, Stevenson, C.E.M, Fiedler, H.-P, Maxwell, A, Lawson, D.M, Buttner, M.J. | Deposit date: | 2010-12-17 | Release date: | 2011-03-09 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structures of the Tetr-Like Simocyclinone Efflux Pump Repressor, Simr, and the Mechanism of Ligand-Mediated Derepression. J.Mol.Biol., 408, 2011
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5HZG
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![BU of 5hzg by Molmil](/molmil-images/mine/5hzg) | The crystal structure of the strigolactone-induced AtD14-D3-ASK1 complex | Descriptor: | (2Z)-2-methylbut-2-ene-1,4-diol, F-box/LRR-repeat MAX2 homolog, SKP1-like protein 1A, ... | Authors: | Yao, R.F, Ming, Z.H, Yan, L.M, Rao, Z.H, Lou, Z.Y, Xie, D.X. | Deposit date: | 2016-02-02 | Release date: | 2016-08-03 | Last modified: | 2016-08-31 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | DWARF14 is a non-canonical hormone receptor for strigolactone Nature, 536, 2016
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7M7W
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![BU of 7m7w by Molmil](/molmil-images/mine/7m7w) | Antibodies to the SARS-CoV-2 receptor-binding domain that maximize breadth and resistance to viral escape | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Monoclonal antibody S2H97 Fab heavy chain, Monoclonal antibody S2H97 Fab light chain, ... | Authors: | Snell, G, Czudnochowski, N, Croll, T.I, Nix, J.C, Corti, D, Cameroni, E, Pinto, D, Beltramello, M. | Deposit date: | 2021-03-29 | Release date: | 2021-05-05 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | SARS-CoV-2 RBD antibodies that maximize breadth and resistance to escape. Nature, 597, 2021
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6Z1A
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![BU of 6z1a by Molmil](/molmil-images/mine/6z1a) | Ternary complex of Staphylococcus aureus DNA gyrase with AMK12 and DNA | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Kolaric, A, Germe, T, Hrast, M, Stevenson, C.E.M, Lawson, D.M, Burton, N, Voros, J, Maxwell, A, Minovski, N, Anderluh, M. | Deposit date: | 2020-05-13 | Release date: | 2020-11-11 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Potent DNA gyrase inhibitors bind asymmetrically to their target using symmetrical bifurcated halogen bonds. Nat Commun, 12, 2021
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7P2W
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![BU of 7p2w by Molmil](/molmil-images/mine/7p2w) | E.coli GyrB24 with inhibitor LMD92 (EBL2682) | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[[3,4-bis(chloranyl)-5-methyl-1H-pyrrol-2-yl]carbonylamino]-4-[(3-carboxyphenyl)methoxy]-1,3-benzothiazole-6-carboxylic acid, DNA gyrase subunit B, ... | Authors: | Stevenson, C.E.M, Lawson, D.M, Maxwell, A.M, Henderson, S.R, Kikelj, D, Durcik, M, Zega, A, Zidar, N, Ilas, J, Tomasic, T, Masic, L.P. | Deposit date: | 2021-07-06 | Release date: | 2022-07-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Discovery and Hit-to-Lead Optimization of Benzothiazole Scaffold-Based DNA Gyrase Inhibitors with Potent Activity against Acinetobacter baumannii and Pseudomonas aeruginosa. J.Med.Chem., 66, 2023
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7P2M
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![BU of 7p2m by Molmil](/molmil-images/mine/7p2m) | E.coli GyrB24 with inhibitor LMD43 (EBL2560) | Descriptor: | 2-[[3,4-bis(chloranyl)-5-methyl-1~{H}-pyrrol-2-yl]carbonylamino]-4-phenylmethoxy-1,3-benzothiazole-6-carboxylic acid, DNA gyrase subunit B, PHOSPHATE ION | Authors: | Stevenson, C.E.M, Lawson, D.M, Maxwell, A.M, Henderson, S.R, Kikelj, D, Durcik, M, Zega, A, Zidar, N, Ilas, J, Tomasic, T, Masic, L.P. | Deposit date: | 2021-07-06 | Release date: | 2022-07-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.16 Å) | Cite: | Discovery and Hit-to-Lead Optimization of Benzothiazole Scaffold-Based DNA Gyrase Inhibitors with Potent Activity against Acinetobacter baumannii and Pseudomonas aeruginosa. J.Med.Chem., 66, 2023
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7P2N
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![BU of 7p2n by Molmil](/molmil-images/mine/7p2n) | E.coli GyrB24 with inhibitor LSJ38 (EBL2684) | Descriptor: | 2-[[3,4-bis(chloranyl)-5-methyl-1H-pyrrol-2-yl]carbonylamino]-5-oxidanyl-1,3-benzothiazole-6-carboxylic acid, DNA gyrase subunit B, PHOSPHATE ION | Authors: | Stevenson, C.E.M, Lawson, D.M, Maxwell, A.M, Henderson, S.R, Kikelj, D, Zega, A, Zidar, N, Ilas, J, Tomasic, T, Masic, L.P. | Deposit date: | 2021-07-06 | Release date: | 2022-07-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.16 Å) | Cite: | Exploring the 5-Substituted 2-Aminobenzothiazole-Based DNA Gyrase B Inhibitors Active against ESKAPE Pathogens. Acs Omega, 8, 2023
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8BN6
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![BU of 8bn6 by Molmil](/molmil-images/mine/8bn6) | Pseudomonas aeruginosa DNA gyrase B 24kDa ATPase subdomain complexed with EBL3021 | Descriptor: | 2-[[3,4-bis(chloranyl)-5-methyl-1~{H}-pyrrol-2-yl]carbonylamino]-4-morpholin-4-yl-1,3-benzothiazole-6-carboxylic acid, CALCIUM ION, DNA gyrase subunit B | Authors: | Durcik, M, Zega, A, Zidar, N, Ilas, J, Tomasic, T, Masic, L.P, Mundy, J.E.A, Stevenson, C.E.M, Burton, N, Lawson, D.M, Maxwell, A, Kikelj, D. | Deposit date: | 2022-11-12 | Release date: | 2023-03-29 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | New Dual Inhibitors of Bacterial Topoisomerases with Broad-Spectrum Antibacterial Activity and In Vivo Efficacy against Vancomycin-Intermediate Staphylococcus aureus . J.Med.Chem., 66, 2023
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6ZT5
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![BU of 6zt5 by Molmil](/molmil-images/mine/6zt5) | Complex between a homodimer of Mycobacterium smegmatis MfpA and a single copy of the N-terminal 47 kDa fragment of the Mycobacterium smegmatis DNA Gyrase B subunit | Descriptor: | DNA gyrase subunit B, Pentapeptide repeat protein MfpA, SULFATE ION | Authors: | Feng, L, Mundy, J.E.A, Stevenson, C.E.M, Mitchenall, L.A, Lawson, D.M, Mi, K, Maxwell, A. | Deposit date: | 2020-07-17 | Release date: | 2021-03-03 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The pentapeptide-repeat protein, MfpA, interacts with mycobacterial DNA gyrase as a DNA T-segment mimic. Proc.Natl.Acad.Sci.USA, 118, 2021
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6ZT3
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![BU of 6zt3 by Molmil](/molmil-images/mine/6zt3) | N-terminal 47 kDa fragment of the Mycobacterium smegmatis DNA Gyrase B subunit complexed with ADPNP | Descriptor: | 1,2-ETHANEDIOL, DNA gyrase subunit B, MAGNESIUM ION, ... | Authors: | Feng, L, Mundy, J.E.A, Stevenson, C.E.M, Mitchenall, L.A, Lawson, D.M, Mi, K, Maxwell, A. | Deposit date: | 2020-07-17 | Release date: | 2021-03-03 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | The pentapeptide-repeat protein, MfpA, interacts with mycobacterial DNA gyrase as a DNA T-segment mimic. Proc.Natl.Acad.Sci.USA, 118, 2021
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6ZT4
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![BU of 6zt4 by Molmil](/molmil-images/mine/6zt4) | Pentapeptide repeat protein MfpA from Mycobacterium smegmatis | Descriptor: | 1,2-ETHANEDIOL, Pentapeptide repeat protein MfpA | Authors: | Feng, L, Mundy, J.E.A, Stevenson, C.E.M, Mitchenall, L.A, Lawson, D.M, Mi, K, Maxwell, A. | Deposit date: | 2020-07-17 | Release date: | 2021-03-03 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | The pentapeptide-repeat protein, MfpA, interacts with mycobacterial DNA gyrase as a DNA T-segment mimic. Proc.Natl.Acad.Sci.USA, 118, 2021
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7P2X
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![BU of 7p2x by Molmil](/molmil-images/mine/7p2x) | E.coli GyrB24 with inhibitor KOB20 (EBL2583) | Descriptor: | (2Z)-2-[[4,5-bis(bromanyl)-1H-pyrrol-2-yl]carbonylimino]-3-(phenylmethyl)-1,3-benzothiazole-6-carboxylic acid, DNA gyrase subunit B, PHOSPHATE ION | Authors: | Stevenson, C.E.M, Lawson, D.M, Maxwell, A.M, Henderson, S.R, Kikelj, D, Benek, O, Zega, A, Zidar, N, Ilas, J, Tomasic, T, Masic, L.P. | Deposit date: | 2021-07-06 | Release date: | 2022-07-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | E.coli GyrB24 with inhibitor KOB20 (EBL2583) TO BE PUBLISHED
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7PTF
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![BU of 7ptf by Molmil](/molmil-images/mine/7ptf) | Pseudomonas aeruginosa DNA gyrase B 24kDa ATPase subdomain complexed with novobiocin | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DNA gyrase subunit B, ... | Authors: | Cotman, A.E, Zega, A, Zidar, N, Ilas, J, Tomasic, T, Masic, L.P, Mundy, J.E.A, Stevenson, C.E.M, Burton, N, Lawson, D.M, Maxwell, A, Kikelj, D. | Deposit date: | 2021-09-27 | Release date: | 2022-10-05 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.32 Å) | Cite: | Discovery and Hit-to-Lead Optimization of Benzothiazole Scaffold-Based DNA Gyrase Inhibitors with Potent Activity against Acinetobacter baumannii and Pseudomonas aeruginosa. J.Med.Chem., 66, 2023
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