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6Z74
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BU of 6z74 by Molmil
Structure of the transcriptional repressor Atu1419 (VanR) in complex with a fortuitous citrate from agrobacterium fabrum
Descriptor: 1,2-ETHANEDIOL, CITRIC ACID, DI(HYDROXYETHYL)ETHER, ...
Authors:Morera, S, Vigouroux, V.
Deposit date:2020-05-29
Release date:2020-12-02
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:Characterization of the first tetrameric transcription factor of the GntR superfamily with allosteric regulation from the bacterial pathogen Agrobacterium fabrum.
Nucleic Acids Res., 49, 2021
6ZA7
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BU of 6za7 by Molmil
Structure of the apo transcriptional repressor Atu1419 (VanR) from agrobacterium fabrum
Descriptor: DI(HYDROXYETHYL)ETHER, GLYCEROL, SULFATE ION, ...
Authors:Morera, S, Vigouroux, A, Legrand, P.
Deposit date:2020-06-04
Release date:2020-12-02
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Characterization of the first tetrameric transcription factor of the GntR superfamily with allosteric regulation from the bacterial pathogen Agrobacterium fabrum.
Nucleic Acids Res., 49, 2021
6U01
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BU of 6u01 by Molmil
Dihydrodipicolinate synthase (DHDPS) from C.jejuni, N84D mutant with pyruvate bound in the active site
Descriptor: 1,2-ETHANEDIOL, 4-hydroxy-tetrahydrodipicolinate synthase, ACETATE ION, ...
Authors:Saran, S, Majdi Yazdi, M, Lehnert, L, Palmer, D.R.J, Sanders, D.A.R.
Deposit date:2019-08-13
Release date:2019-12-04
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Asparagine-84, a regulatory allosteric site residue, helps maintain the quaternary structure of Campylobacter jejuni dihydrodipicolinate synthase.
J.Struct.Biol., 209, 2020
8X0S
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Crystal structure of r(G4C2)2
Descriptor: POTASSIUM ION, RNA (5'-R(*GP*GP*GP*GP*CP*CP*GP*GP*GP*GP*C)-3')
Authors:Geng, Y, Liu, C, Cai, Q, Zhu, G.
Deposit date:2023-11-05
Release date:2024-06-19
Last modified:2024-07-31
Method:X-RAY DIFFRACTION (2.956 Å)
Cite:Crystal structure of a tetrameric RNA G-quadruplex formed by hexanucleotide repeat expansions of C9orf72 in ALS/FTD.
Nucleic Acids Res., 52, 2024
3VGV
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E134A mutant nucleoside diphosphate kinase derived from Halomonas sp. 593
Descriptor: Nucleoside diphosphate kinase
Authors:Okazaki, N, Yonezawa, Y, Arai, S, Matsumoto, F, Tamada, T, Tokunaga, H, Ishibashi, M, Tokunaga, M, Kuroki, R.
Deposit date:2011-08-21
Release date:2012-07-11
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A structural mechanism for dimeric to tetrameric oligomer conversion in Halomonas sp. nucleoside diphosphate kinase
Protein Sci., 21, 2012
2XX9
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Crystal structure of 1-((2-fluoro-4-(3-(trifluoromethyl)-4,5,6,7- tetrahydro-1H-indazol-1-yl)phenyl)methyl)-2-pyrrolidinone in complex with the ligand binding domain of the Rat GluA2 receptor and glutamate at 2.2A resolution.
Descriptor: GLUTAMATE RECEPTOR 2, GLUTAMIC ACID, N,N-DIMETHYL-4-[3-(TRIFLUOROMETHYL)-4,5,6,7-TETRAHYDRO-1H-INDAZOL-1-YL]BENZAMIDE, ...
Authors:Ward, S.E, Harries, M, Aldegheri, L, Austin, N.E, Ballantine, S, Ballini, E, Bradley, D.M, Bax, B.D, Clarke, B.P, Harris, A.J, Harrison, S.A, Melarange, R.A, Mookherjee, C, Mosley, J, DalNegro, G, Oliosi, B, Smith, K.J, Thewlis, K.M, Woollard, P.M, Yusaf, S.P.
Deposit date:2010-11-09
Release date:2011-04-06
Last modified:2011-09-28
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Integration of Lead Optimization with Crystallography for a Membrane-Bound Ion Channel Target: Discovery of a New Class of Ampa Receptor Positive Allosteric Modulators.
J.Med.Chem., 54, 2011
2XX7
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BU of 2xx7 by Molmil
Crystal structure of 1-(4-(1-pyrrolidinylcarbonyl)phenyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole in complex with the ligand binding domain of the Rat GluA2 receptor and glutamate at 2.2A resolution.
Descriptor: 1-[4-(1-PYRROLIDINYLCARBONYL)PHENYL]-3-(TRIFLUOROMETHYL)-4,5,6,7-TETRAHYDRO-1H-INDAZOLE, GLUTAMATE RECEPTOR 2, GLUTAMIC ACID, ...
Authors:Ward, S.E, Harries, M, Aldegheri, L, Austin, N.E, Ballantine, S, Ballini, E, Bradley, D.M, Bax, B.D, Clarke, B.P, Harris, A.J, Harrison, S.A, Melarange, R.A, Mookherjee, C, Mosley, J, DalNegro, G, Oliosi, B, Smith, K.J, Thewlis, K.M, Woollard, P.M, Yusaf, S.P.
Deposit date:2010-11-09
Release date:2011-04-06
Last modified:2011-09-28
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Integration of Lead Optimization with Crystallography for a Membrane-Bound Ion Channel Target: Discovery of a New Class of Ampa Receptor Positive Allosteric Modulators.
J.Med.Chem., 54, 2011
2XXH
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BU of 2xxh by Molmil
Crystal structure of 1-(4-(2-oxo-2-(1-pyrrolidinyl)ethyl)phenyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole in complex with the ligand binding domain of the Rat GluA2 receptor and glutamate at 1.5A resolution.
Descriptor: 1-{4-[2-OXO-2-(1-PYRROLIDINYL)ETHYL]PHENYL}-3-( TRIFLUOROMETHYL)-4,5,6,7-TETRAHYDRO-1H-INDAZOLE, GLUTAMATE RECEPTOR 2, GLUTAMIC ACID, ...
Authors:Ward, S.E, Harries, M, Aldegheri, L, Austin, N.E, Ballantine, S, Ballini, E, Bradley, D.M, Bax, B.D, Clarke, B.P, Harris, A.J, Harrison, S.A, Melarange, R.A, Mookherjee, C, Mosley, J, DalNegro, G, Oliosi, B, Smith, K.J, Thewlis, K.M, Woollard, P.M, Yusaf, S.P.
Deposit date:2010-11-10
Release date:2011-04-06
Last modified:2011-09-28
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Integration of Lead Optimization with Crystallography for a Membrane-Bound Ion Channel Target: Discovery of a New Class of Ampa Receptor Positive Allosteric Modulators.
J.Med.Chem., 54, 2011
2XX8
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BU of 2xx8 by Molmil
Crystal structure of N,N-dimethyl-4-(3-(trifluoromethyl)-4,5,6,7- tetrahydro-1H-indazol-1-yl)benzamide in complex with the ligand binding domain of the Rat GluA2 receptor and glutamate at 2.2A resolution.
Descriptor: GLUTAMATE RECEPTOR 2, GLUTAMIC ACID, N,N-DIMETHYL-4-[3-(TRIFLUOROMETHYL)-4,5,6,7-TETRAHYDRO-1H-INDAZOL-1-YL]BENZAMIDE, ...
Authors:Ward, S.E, Harries, M, Aldegheri, L, Austin, N.E, Ballantine, S, Ballini, E, Bradley, D.M, Bax, B.D, Clarke, B.P, Harris, A.J, Harrison, S.A, Melarange, R.A, Mookherjee, C, Mosley, J, DalNegro, G, Oliosi, B, Smith, K.J, Thewlis, K.M, Woollard, P.M, Yusaf, S.P.
Deposit date:2010-11-09
Release date:2011-04-27
Last modified:2011-09-28
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Integration of Lead Optimization with Crystallography for a Membrane-Bound Ion Channel Target: Discovery of a New Class of Ampa Receptor Positive Allosteric Modulators.
J.Med.Chem., 54, 2011
5WI6
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BU of 5wi6 by Molmil
Human beta-1 tryptase mutant Ile99Cys
Descriptor: L-alpha-glutamyl-N-{(1S)-4-{[amino(iminio)methyl]amino}-1-[(1S)-2-chloro-1-hydroxyethyl]butyl}glycinamide, SULFATE ION, Tryptase alpha/beta-1
Authors:Eigenbrot, C, Maun, H.R.
Deposit date:2017-07-18
Release date:2018-04-25
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.72 Å)
Cite:Dual functionality of beta-tryptase protomers as both proteases and cofactors in the active tetramer.
J. Biol. Chem., 293, 2018
3VGS
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BU of 3vgs by Molmil
Wild-type nucleoside diphosphate kinase derived from Halomonas sp. 593
Descriptor: Nucleoside diphosphate kinase
Authors:Okazaki, N, Yonezawa, Y, Arai, S, Matsumoto, F, Tamada, T, Tokunaga, H, Ishibashi, M, Tokunaga, M, Kuroki, R.
Deposit date:2011-08-20
Release date:2012-07-11
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A structural mechanism for dimeric to tetrameric oligomer conversion in Halomonas sp. nucleoside diphosphate kinase
Protein Sci., 21, 2012
2OK2
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BU of 2ok2 by Molmil
MutS C-terminal domain fused to Maltose Binding Protein
Descriptor: Maltose-binding periplasmic protein, DNA mismatch repair protein mutS fusion protein, SULFATE ION, ...
Authors:Putnam, C.D, Mendillo, M.L, Kolodner, R.D.
Deposit date:2007-01-15
Release date:2007-04-10
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Escherichia coli MutS Tetramerization Domain Structure Reveals That Stable Dimers but Not Tetramers Are Essential for DNA Mismatch Repair in Vivo.
J.Biol.Chem., 282, 2007
3VGT
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BU of 3vgt by Molmil
Wild-type nucleoside diphosphate kinase derived from Halomonas sp. 593
Descriptor: Nucleoside diphosphate kinase
Authors:Okazaki, N, Yonezawa, Y, Arai, S, Matsumoto, F, Tamada, T, Tokunaga, H, Ishibashi, M, Tokunaga, M, Kuroki, R.
Deposit date:2011-08-21
Release date:2012-07-11
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:A structural mechanism for dimeric to tetrameric oligomer conversion in Halomonas sp. nucleoside diphosphate kinase
Protein Sci., 21, 2012
3VGU
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BU of 3vgu by Molmil
E134A mutant nucleoside diphosphate kinase derived from Halomonas sp. 593
Descriptor: Nucleoside diphosphate kinase
Authors:Okazaki, N, Yonezawa, Y, Arai, S, Matsumoto, F, Tamada, T, Tokunaga, H, Ishibashi, M, Tokunaga, M, Kuroki, R.
Deposit date:2011-08-21
Release date:2012-07-11
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A structural mechanism for dimeric to tetrameric oligomer conversion in Halomonas sp. nucleoside diphosphate kinase
Protein Sci., 21, 2012
2AKR
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BU of 2akr by Molmil
Structural basis of sulfatide presentation by mouse CD1d
Descriptor: (15Z)-N-((1S,2R,3E)-2-HYDROXY-1-{[(3-O-SULFO-BETA-D-GALACTOPYRANOSYL)OXY]METHYL}HEPTADEC-3-ENYL)TETRACOS-15-ENAMIDE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Zajonc, D.M, Halder, R, Wu, D, Maricic, I, Roy, K, Wong, C.-H, Kumar, V, Wilson, I.A.
Deposit date:2005-08-03
Release date:2005-12-06
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural basis for CD1d presentation of a sulfatide derived from myelin and its implications for autoimmunity
J.Exp.Med., 202, 2005
5XGE
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BU of 5xge by Molmil
Crystal structure of the PAS-GGDEF-EAL domain of PA0861 from Pseudomonas aeruginosa in complex with cyclic di-GMP
Descriptor: 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), Uncharacterized protein PA0861
Authors:Liu, C, Liew, C.W, Sreekanth, R, Lescar, J.
Deposit date:2017-04-13
Release date:2017-12-20
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (3.31 Å)
Cite:Insights into Biofilm Dispersal Regulation from the Crystal Structure of the PAS-GGDEF-EAL Region of RbdA from Pseudomonas aeruginosa.
J. Bacteriol., 200, 2018
5J88
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BU of 5j88 by Molmil
Structure of the E coli 70S ribosome with the U1060A mutation in 16S rRNA
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 1,4-DIAMINOBUTANE, ...
Authors:Cocozaki, A, Ferguson, A.
Deposit date:2016-04-07
Release date:2016-07-06
Last modified:2016-12-07
Method:X-RAY DIFFRACTION (3.32 Å)
Cite:Resistance mutations generate divergent antibiotic susceptibility profiles against translation inhibitors.
Proc.Natl.Acad.Sci.USA, 113, 2016
1Q9D
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BU of 1q9d by Molmil
Fructose-1,6-bisphosphatase Complexed with a New Allosteric Site Inhibitor (I-State)
Descriptor: 3-(4-HYDROXYBENZYL)-2-[1-({[2-(4-HYDROXYPHENYL)ETHYL]AMINO}CARBONYL)BUTYL]-4-OXO-3,6,11,11A-TETRAHYDRO-4H-PYRAZINO[1,2-B]ISOQUINOLIN-2-IUM-1-OLATE, 6-O-phosphono-beta-D-fructofuranose, Fructose-1,6-bisphosphatase, ...
Authors:Honzatko, R.B, Choe, J.Y.
Deposit date:2003-08-25
Release date:2003-12-02
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Inhibition of fructose-1,6-bisphosphatase by a new class of allosteric effectors
J.Biol.Chem., 278, 2003
5JBN
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BU of 5jbn by Molmil
Crystal Structure of Apo Phosphopantetheine Adenylyltransferase (PPAT/CoaD) from E. coli
Descriptor: DIMETHYL SULFOXIDE, Phosphopantetheine adenylyltransferase, SULFATE ION
Authors:Mamo, M, Proudfoot, A, Bussiere, D.
Deposit date:2016-04-13
Release date:2016-05-25
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Facilitating unambiguous NMR assignments and enabling higher probe density through selective labeling of all methyl containing amino acids.
J.Biomol.Nmr, 65, 2016
5XQL
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BU of 5xql by Molmil
Crystal structure of a Pseudomonas aeruginosa transcriptional regulator
Descriptor: 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), Multidrug-efflux transporter 1 regulator
Authors:Raju, H, Sharma, R.
Deposit date:2017-06-07
Release date:2017-06-28
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.494 Å)
Cite:Crystal structure of BrlR with c-di-GMP
Biochem. Biophys. Res. Commun., 490, 2017
5XZ9
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BU of 5xz9 by Molmil
Crystal Structure of Phosphofructokinase from Staphylococcus aureus in complex with adenylylimidodiphosphate, the ATP analogue
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, ATP-dependent 6-phosphofructokinase, GLYCEROL
Authors:Wang, C.L, Tian, T, Zang, J.Y.
Deposit date:2017-07-12
Release date:2019-03-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Insights into the Regulation of Staphylococcus aureus Phosphofructokinase by Tetramer-Dimer Conversion.
Biochemistry, 57, 2018
1XAR
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BU of 1xar by Molmil
Crystal Structure of a fragment of DC-SIGNR (containing the carbohydrate recognition domain and two repeats of the neck).
Descriptor: CD209 antigen-like protein 1, SODIUM ION
Authors:Feinberg, H, Guo, Y, Mitchell, D.A, Drickamer, K, Weis, W.I.
Deposit date:2004-08-26
Release date:2004-11-16
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Extended Neck Regions Stabilize Tetramers of the Receptors DC-SIGN and DC-SIGNR
J.Biol.Chem., 280, 2005
7PAY
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BU of 7pay by Molmil
Structure of the human heterotetrameric cis-prenyltransferase complex in complex with magnesium and GGsPP
Descriptor: Dehydrodolichyl diphosphate synthase complex subunit DHDDS, Dehydrodolichyl diphosphate synthase complex subunit NUS1, MAGNESIUM ION, ...
Authors:Giladi, M, Lisnyansky Bar-El, M, Haitin, Y.
Deposit date:2021-07-30
Release date:2022-06-01
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural basis for long-chain isoprenoid synthesis by cis -prenyltransferases.
Sci Adv, 8, 2022
7FSA
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BU of 7fsa by Molmil
Structure of liver pyruvate kinase in complex with allosteric modulator 24
Descriptor: (1M)-6-[4-(3-aminobenzene-1-sulfonyl)piperazine-1-sulfonyl][1,1'-biphenyl]-3,3',4,4'-tetrol, 1,6-di-O-phosphono-beta-D-fructofuranose, MAGNESIUM ION, ...
Authors:Lulla, A, Nilsson, O, Brear, P, Nain-Perez, A, Grotli, M, Hyvonen, M.
Deposit date:2022-12-18
Release date:2023-04-12
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.909 Å)
Cite:Tuning liver pyruvate kinase activity up or down with a new class of allosteric modulators.
Eur.J.Med.Chem., 250, 2023
7FS1
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Structure of liver pyruvate kinase in complex with allosteric modulator 11
Descriptor: (1P)-N-{[4-(3,4-dihydroxybenzene-1-sulfonyl)phenyl]methyl}-3',4,4',5-tetrahydroxy[1,1'-biphenyl]-2-sulfonamide, 1,6-di-O-phosphono-beta-D-fructofuranose, MAGNESIUM ION, ...
Authors:Lulla, A, Nilsson, O, Brear, P, Nain-Perez, A, Grotli, M, Hyvonen, M.
Deposit date:2022-12-18
Release date:2023-04-12
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.863 Å)
Cite:Tuning liver pyruvate kinase activity up or down with a new class of allosteric modulators.
Eur.J.Med.Chem., 250, 2023

223532

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