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1SBE
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BU of 1sbe by Molmil
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
2KYQ
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BU of 2kyq by Molmil
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
2L07
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BU of 2l07 by Molmil
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
7AYS
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BU of 7ays by Molmil
Structure of bovine trypsin determined from single femtosecond snapshots per orientation at room temperature
Descriptor: BENZAMIDINE, CALCIUM ION, Cationic trypsin, ...
Authors:Jensen, M.
Deposit date:2020-11-13
Release date:2021-01-20
Last modified:2021-08-04
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:High-resolution macromolecular crystallography at the FemtoMAX beamline with time-over-threshold photon detection.
J.Synchrotron Radiat., 28, 2021
8C8A
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BU of 8c8a by Molmil
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
3KAJ
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BU of 3kaj by Molmil
Apoenzyme structure of homoglutathione synthetase from Glycine max in open conformation
Descriptor: Homoglutathione synthetase
Authors:Galant, A, Arkus, K.A.J, Zubieta, C, Cahoon, R.E, Jez, J.M.
Deposit date:2009-10-19
Release date:2009-12-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Basis for Evolution of Product Diversity in Soybean Glutathione Biosynthesis.
Plant Cell, 21, 2009
3KAK
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BU of 3kak by Molmil
Structure of homoglutathione synthetase from Glycine max in open conformation with gamma-glutamyl-cysteine bound.
Descriptor: GAMMA-GLUTAMYLCYSTEINE, Homoglutathione synthetase
Authors:Galant, A, Arkus, K.A.J, Zubieta, C, Cahoon, R.E, Jez, J.M.
Deposit date:2009-10-19
Release date:2009-12-22
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Structural Basis for Evolution of Product Diversity in Soybean Glutathione Biosynthesis.
Plant Cell, 21, 2009
3KAL
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BU of 3kal by Molmil
Structure of homoglutathione synthetase from Glycine max in closed conformation with homoglutathione, ADP, a sulfate ion, and three magnesium ions bound
Descriptor: ADENOSINE-5'-DIPHOSPHATE, D-gamma-glutamyl-L-cysteinyl-beta-alanine, MAGNESIUM ION, ...
Authors:Galant, A, Arkus, K.A.J, Zubieta, C, Cahoon, R.E, Jez, J.M.
Deposit date:2009-10-19
Release date:2009-12-22
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural Basis for Evolution of Product Diversity in Soybean Glutathione Biosynthesis.
Plant Cell, 21, 2009
3PF4
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BU of 3pf4 by Molmil
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
3PF5
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BU of 3pf5 by Molmil
Crystal structure of Bs-CspB in complex with rU6
Descriptor: Cold shock protein cspB, MAGNESIUM ION, hexaribouracil (rU6)
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 (1.68 Å)
Cite:RNA single strands bind to a conserved surface of the major cold shock protein in crystals and solution.
Rna, 18, 2012
5HZG
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BU of 5hzg by Molmil
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
4WUB
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BU of 4wub by Molmil
N-terminal 43 kDa fragment of the E. coli DNA gyrase B subunit grown from 100 mM KCl condition
Descriptor: CHLORIDE ION, DNA gyrase subunit B, MAGNESIUM ION, ...
Authors:Hearnshaw, S.J, Chung, T.T, Stevenson, C.E.M, Maxwell, A, Lawson, D.M.
Deposit date:2014-10-31
Release date:2015-04-08
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:The role of monovalent cations in the ATPase reaction of DNA gyrase
Acta Crystallogr.,Sect.D, 71, 2015
1TON
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BU of 1ton by Molmil
RAT SUBMAXILLARY GLAND SERINE PROTEASE, TONIN. STRUCTURE SOLUTION AND REFINEMENT AT 1.8 ANGSTROMS RESOLUTION
Descriptor: TONIN, ZINC ION
Authors:Fujinaga, M, James, M.N.G.
Deposit date:1987-06-03
Release date:1988-01-16
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Rat submaxillary gland serine protease, tonin. Structure solution and refinement at 1.8 A resolution.
J.Mol.Biol., 195, 1987
4WUC
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BU of 4wuc by Molmil
N-terminal 43 kDa fragment of the E. coli DNA gyrase B subunit grown from 100 mM NaCl condition
Descriptor: CHLORIDE ION, DNA gyrase subunit B, MAGNESIUM ION, ...
Authors:Hearnshaw, S.J, Chung, T.T, Stevenson, C.E.M, Maxwell, A, Lawson, D.M.
Deposit date:2014-10-31
Release date:2015-04-08
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The role of monovalent cations in the ATPase reaction of DNA gyrase
Acta Crystallogr.,Sect.D, 71, 2015
7P2W
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BU of 7p2w by Molmil
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
7P2M
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BU of 7p2m by Molmil
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
7P2N
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BU of 7p2n by Molmil
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
4WUD
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BU of 4wud by Molmil
N-terminal 43 kDa fragment of the E. coli DNA gyrase B subunit grown from no salt condition
Descriptor: CHLORIDE ION, DNA gyrase subunit B, MAGNESIUM ION, ...
Authors:Hearnshaw, S.J, Chung, T.T, Stevenson, C.E.M, Maxwell, A, Lawson, D.M.
Deposit date:2014-10-31
Release date:2015-04-08
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:The role of monovalent cations in the ATPase reaction of DNA gyrase
Acta Crystallogr.,Sect.D, 71, 2015
7M7W
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BU of 7m7w by Molmil
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
8BN6
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BU of 8bn6 by Molmil
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
7P2X
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BU of 7p2x by Molmil
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
7PTF
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BU of 7ptf by Molmil
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
7PTG
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BU of 7ptg by Molmil
Pseudomonas aeruginosa DNA gyrase B 24kDa ATPase subdomain complexed with EBL2888
Descriptor: 2-[[3,4-bis(chloranyl)-5-methyl-1H-pyrrol-2-yl]carbonylamino]-4-[(1S)-1-phenylethoxy]-1,3-benzothiazole-6-carboxylic 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 (2.2 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
7PQI
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BU of 7pqi by Molmil
Acinetobacter baumannii DNA gyrase B 23kDa ATPase subdomain complexed with novobiocin
Descriptor: 1,2-ETHANEDIOL, DNA gyrase subunit B, NOVOBIOCIN
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:2021-09-17
Release date:2022-09-28
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.9 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
7PQM
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BU of 7pqm by Molmil
Acinetobacter baumannii DNA gyrase B 23kDa ATPase subdomain complexed with EBL2888
Descriptor: 2-[[3,4-bis(chloranyl)-5-methyl-1H-pyrrol-2-yl]carbonylamino]-4-[(1S)-1-phenylethoxy]-1,3-benzothiazole-6-carboxylic acid, CALCIUM ION, 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:2021-09-17
Release date:2022-09-28
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.55 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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