2GWC
 
 | | Crystal structure of plant glutamate cysteine ligase in complex with a transition state analogue | | Descriptor: | (2S)-2-amino-4-(S-butylsulfonimidoyl)butanoic acid, Glutamate cysteine ligase, MAGNESIUM ION | | Authors: | Hothorn, M, Wachter, A, Gromes, R, Stuwe, T, Rausch, T, Scheffzek, K. | | Deposit date: | 2006-05-04 | | Release date: | 2006-06-20 | | Last modified: | 2018-10-03 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Structural basis for the redox control of plant glutamate cysteine ligase.
J.Biol.Chem., 281, 2006
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2KXM
 | | Solution NMR Structure of the 27 nucleotide engineered neomycin sensing riboswitch RNA-ribostmycin complex | | Descriptor: | RIBOSTAMYCIN, RNA (27-MER) | | Authors: | Duchardt-Ferner, E, Weigand, J.E, Ohlenschlager, O, Schmidtke, S.R, Suess, B, Wohnert, J. | | Deposit date: | 2010-05-10 | | Release date: | 2011-04-20 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Highly modular structure and ligand binding by conformational capture in a minimalistic riboswitch.
Angew.Chem.Int.Ed.Engl., 49, 2010
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2DTO
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3LB5
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3I2D
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7XUC
 | | Structure of G9a in complex with compound 11a | | Descriptor: | 1,2-ETHANEDIOL, 3,6,6-trimethyl-4-oxidanylidene-~{N}-[(2~{S})-1-oxidanylidene-1-phenylazanyl-hexan-2-yl]-5,7-dihydro-1~{H}-indole-2-carboxamide, CHLORIDE ION, ... | | Authors: | Niwa, H, Shirai, F, Sato, S, Nishigaya, Y, Umehara, T. | | Deposit date: | 2022-05-18 | | Release date: | 2023-03-29 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | Discovery of Novel Substrate-Competitive Lysine Methyltransferase G9a Inhibitors as Anticancer Agents.
J.Med.Chem., 66, 2023
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7XUB
 | | Structure of G9a in complex with compound 10d | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Histone-lysine N-methyltransferase EHMT2, ... | | Authors: | Niwa, H, Shirai, F, Sato, S, Nishigaya, Y, Umehara, T. | | Deposit date: | 2022-05-18 | | Release date: | 2023-03-29 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Discovery of Novel Substrate-Competitive Lysine Methyltransferase G9a Inhibitors as Anticancer Agents.
J.Med.Chem., 66, 2023
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3WNZ
 | | Crystal structure of Bacillus subtilis YwfE, an L-amino acid ligase, with bound ADP-Mg-Pi | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Alanine-anticapsin ligase BacD, MAGNESIUM ION, ... | | Authors: | Tsuda, T, Kojima, S. | | Deposit date: | 2013-12-19 | | Release date: | 2014-05-14 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Single Mutation Alters the Substrate Specificity of l-Amino Acid Ligase
Biochemistry, 53, 2014
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3WO0
 | | Crystal structure of Bacillus subtilis YwfE, an L-amino acid ligase, with bound ADP-Mg-Ala | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ALANINE, Alanine-anticapsin ligase BacD, ... | | Authors: | Tsuda, T, Kojima, S. | | Deposit date: | 2013-12-19 | | Release date: | 2014-05-14 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Single Mutation Alters the Substrate Specificity of l-Amino Acid Ligase
Biochemistry, 53, 2014
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3WO1
 | | Crystal structure of Trp332Ala mutant YwfE, an L-amino acid ligase, with bound ADP-Mg-Ala | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ALANINE, Alanine-anticapsin ligase BacD, ... | | Authors: | Tsuda, T, Kojima, S. | | Deposit date: | 2013-12-19 | | Release date: | 2014-05-14 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Single Mutation Alters the Substrate Specificity of l-Amino Acid Ligase
Biochemistry, 53, 2014
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4ZJ8
 | | Structures of the human OX1 orexin receptor bound to selective and dual antagonists | | Descriptor: | OLEIC ACID, [(7R)-4-(5-chloro-1,3-benzoxazol-2-yl)-7-methyl-1,4-diazepan-1-yl][5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl]methanone, human OX1R fusion protein to P.abysii glycogen synthase | | Authors: | Yin, J, Brautigam, C.A, Shao, Z, Clark, L, Harrell, C.M, Gotter, A.L, Coleman, P, Renger, J.J, Rosenbaum, D.M. | | Deposit date: | 2015-04-29 | | Release date: | 2016-03-09 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.751 Å) | | Cite: | Structure and ligand-binding mechanism of the human OX1 and OX2 orexin receptors.
Nat.Struct.Mol.Biol., 23, 2016
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4ZJC
 | | Structures of the human OX1 orexin receptor bound to selective and dual antagonists | | Descriptor: | OLEIC ACID, [5-(2-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]{(2S)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-1-yl}methanone, human OX1R fusion protein to P.abysii glycogen synthase | | Authors: | Yin, J, Brautigam, C.A, Shao, Z, Clark, L, Harrell, C.M, Gotter, A.L, Coleman, P.J, Renger, J.J, Rosenbaum, D.M. | | Deposit date: | 2015-04-29 | | Release date: | 2016-03-09 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.832 Å) | | Cite: | Structure and ligand-binding mechanism of the human OX1 and OX2 orexin receptors.
Nat.Struct.Mol.Biol., 23, 2016
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4UOU
 | | Crystal Structure of Fucose binding lectin from Aspergillus Fumigatus (AFL) - apo-form | | Descriptor: | DI(HYDROXYETHYL)ETHER, FUCOSE-SPECIFIC LECTIN FLEA | | Authors: | Houser, J, Komarek, J, Cioci, G, Varrot, A, Imberty, A, Wimmerova, M. | | Deposit date: | 2014-06-10 | | Release date: | 2015-03-11 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural Insights Into Aspergillus Fumigatus Lectin Specificity: Afl Binding Sites are Functionally Non-Equivalent.
Acta Crystallogr.,Sect.D, 71, 2015
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2Y1O
 | | Dual-target Inhibitor of MurD and MurE Ligases: Design, Synthesis and Binding Mode Studies | | Descriptor: | (2R)-2-[[3-[[4-[(Z)-(4-OXO-2-SULFANYLIDENE-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]PHENYL]METHYLAMINO]PHENYL]CARBONYLAMINO]PENTANEDIOIC ACID, DIMETHYL SULFOXIDE, SULFATE ION, ... | | Authors: | Tomasic, T, Sink, R, Kovac, A, Turk, S, Contreras-Martel, C, Dessen, A, Blanot, D, Gobec, S, Zega, A, Kikelj, D, Peterlin-Masic, L. | | Deposit date: | 2010-12-09 | | Release date: | 2011-12-28 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | Dual Inhibitor of MurD and MurE Ligases from Escherichia coli and Staphylococcus aureus.
ACS Med Chem Lett, 3, 2012
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7XUD
 | | Structure of G9a in complex with compound 26a | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ... | | Authors: | Niwa, H, Shirai, F, Sato, S, Nishigaya, Y, Umehara, T. | | Deposit date: | 2022-05-18 | | Release date: | 2023-03-29 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Discovery of Novel Substrate-Competitive Lysine Methyltransferase G9a Inhibitors as Anticancer Agents.
J.Med.Chem., 66, 2023
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7XUA
 | | Structure of G9a in complex with compound 10a | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Histone-lysine N-methyltransferase EHMT2, ... | | Authors: | Niwa, H, Shirai, F, Sato, S, Nishigaya, Y, Umehara, T. | | Deposit date: | 2022-05-18 | | Release date: | 2023-03-29 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Discovery of Novel Substrate-Competitive Lysine Methyltransferase G9a Inhibitors as Anticancer Agents.
J.Med.Chem., 66, 2023
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3VOT
 | | Crystal structure of L-amino acid ligase from Bacillus licheniformis | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Suzuki, M, Takahashi, Y, Noguchi, A, Arai, T, Yagasaki, M, Kino, K, Saito, J. | | Deposit date: | 2012-02-08 | | Release date: | 2012-11-07 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The structure of L-amino-acid ligase from Bacillus licheniformis
Acta Crystallogr.,Sect.D, 68, 2012
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3L6H
 | | Crystal structure of lactococcal OpuAC in its closed-liganded conformation complexed with glycine betaine | | Descriptor: | Betaine ABC transporter permease and substrate binding protein, CHLORIDE ION, TRIMETHYL GLYCINE | | Authors: | Berntsson, R.P.A, Wolters, J.C, Gul, N, Karasawa, A, Thunnissen, A.M.W.H, Slotboom, D.J, Poolman, B. | | Deposit date: | 2009-12-23 | | Release date: | 2010-05-19 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Ligand binding and crystal structures of the substrate-binding domain of the ABC transporter OpuA.
Plos One, 5, 2010
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7P47
 | | Structure of the E3 ligase Smc5/Nse2 in complex with Ubc9-SUMO thioester mimetic | | Descriptor: | E3 SUMO-protein ligase MMS21, SUMO-conjugating enzyme UBC9, Structural maintenance of chromosomes protein 5, ... | | Authors: | Lascorz, J, Varejao, N, Reverter, D. | | Deposit date: | 2021-07-09 | | Release date: | 2021-11-24 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3.314 Å) | | Cite: | Structural basis for the E3 ligase activity enhancement of yeast Nse2 by SUMO-interacting motifs.
Nat Commun, 12, 2021
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3UKP
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1I8E
 | | NMR ENSEMBLE OF ION-SELECTIVE LIGAND A22 FOR PLATELET INTEGRIN ALPHAIIB-BETA3 | | Descriptor: | ION-SELECTIVE LIGAND A22 | | Authors: | Smith, J.W, Le Calvez, H, Parra-Gessert, L, Preece, N.E, Jia, X, Assa-Munt, N. | | Deposit date: | 2001-03-13 | | Release date: | 2002-07-10 | | Last modified: | 2022-02-23 | | Method: | SOLUTION NMR | | Cite: | Selection and structure of ion-selective ligands for platelet integrin alpha IIb(beta) 3.
J.Biol.Chem., 277, 2002
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1I98
 | | NMR ENSEMBLE OF ION-SELECTIVE LIGAND D18 FOR PLATELET INTEGRIN ALPHAIIB-BETA3 | | Descriptor: | ION-SELECTIVE LIGAND D18 | | Authors: | Smith, J.W, Le Calvez, H, Parra-Gessert, L, Preece, N.E, Jia, X, Assa-Munt, N. | | Deposit date: | 2001-03-18 | | Release date: | 2002-07-10 | | Last modified: | 2022-02-23 | | Method: | SOLUTION NMR | | Cite: | Selection and structure of ion-selective ligands for platelet integrin alpha IIb(beta) 3.
J.Biol.Chem., 277, 2002
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3UKH
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5SXV
 | | X-ray structure of 2-bromoethanol bound to a pentameric ligand gated ion channel (ELIC) in a resting state | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-BROMOETHANOL, Cys-loop ligand-gated ion channel | | Authors: | Chen, Q, Kinde, M, Cohen, A, Xu, Y, Tang, P. | | Deposit date: | 2016-08-10 | | Release date: | 2017-06-21 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Structural Basis of Alcohol Inhibition of the Pentameric Ligand-Gated Ion Channel ELIC.
Structure, 25, 2017
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1I6Y
 | | NMR ENSEMBLE OF ION-SELECTIVE LIGAND A1 FOR PLATELET INTEGRIN ALPHAIIB-BETA3 | | Descriptor: | ION-SELECTIVE LIGAND A1 | | Authors: | Smith, J.W, Le Calvez, H, Parra-Gessert, L, Preece, N.E, Jia, X, Assa-Munt, N. | | Deposit date: | 2001-03-06 | | Release date: | 2002-07-10 | | Last modified: | 2022-02-23 | | Method: | SOLUTION NMR | | Cite: | Selection and structure of ion-selective ligands for platelet integrin alpha IIb(beta) 3.
J.Biol.Chem., 277, 2002
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