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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3A7R
 
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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: | 2024-10-30 | 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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4L1K
 
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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: | 2024-10-23 | 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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7F5P
 
 | The crystal structure of VyPAL2-C214A, a dead mutant of VyPAL2 peptide asparaginyl ligase in form I | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Peptide Asparaginyl Ligases, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Hu, S, Sahili, A, Lescar, J. | Deposit date: | 2021-06-22 | Release date: | 2022-06-29 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural basis for proenzyme maturation, substrate recognition, and ligation by a hyperactive peptide asparaginyl ligase. Plant Cell, 34, 2022
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7F5Q
 
 | The crystal structure of VyPAL2 peptide asparaginyl ligase in its active enzyme form | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Hu, S, Sahili, A, Lescar, J. | Deposit date: | 2021-06-22 | Release date: | 2022-06-29 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural basis for proenzyme maturation, substrate recognition, and ligation by a hyperactive peptide asparaginyl ligase. Plant Cell, 34, 2022
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7F5J
 
 | The crystal structure of VyPAL2-I244V, a more efficient mutant of VyPAL2 peptide asparaginyl ligase in its active enzyme form | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Hu, S, Sahili, A, Lescar, J. | Deposit date: | 2021-06-22 | Release date: | 2022-06-29 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.593 Å) | Cite: | Structural basis for proenzyme maturation, substrate recognition, and ligation by a hyperactive peptide asparaginyl ligase. Plant Cell, 34, 2022
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7FA0
 
 | The crystal structure of VyPAL2-C214A, a dead mutant of VyPAL2 peptide asparaginyl ligase in form II | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Peptide Asparaginyl Ligases, ... | Authors: | Hu, S, Sahili, A, Lescar, J. | Deposit date: | 2021-07-05 | Release date: | 2022-07-13 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural basis for proenzyme maturation, substrate recognition, and ligation by a hyperactive peptide asparaginyl ligase. Plant Cell, 34, 2022
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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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3LB5
 
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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: | 2024-10-16 | 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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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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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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4OTI
 
 | Crystal Structure of PRK1 Catalytic Domain in Complex with Tofacitinib | Descriptor: | 3-{(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}-3-oxopropanenitrile, Serine/threonine-protein kinase N1 | Authors: | Chamberlain, P.P, Delker, S, Pagarigan, B, Mahmoudi, A, Jackson, P, Abbassian, M, Muir, J, Raheja, N, Cathers, B. | Deposit date: | 2014-02-13 | Release date: | 2014-08-27 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Crystal Structures of PRK1 in Complex with the Clinical Compounds Lestaurtinib and Tofacitinib Reveal Ligand Induced Conformational Changes. Plos One, 9, 2014
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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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4RME
 
 | Crystal structure of human Retinoid X receptor alpha ligand binding domain complex with 9cUAB111 and coactivator peptide GRIP-1 | Descriptor: | (2E,4E,6Z,8E)-3,7-dimethyl-8-[2-(3-methylbutyl)-3-(propan-2-yl)cyclohex-2-en-1-ylidene]octa-2,4,6-trienoic acid, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha | Authors: | Xia, G, Muccio, D.D. | Deposit date: | 2014-10-21 | Release date: | 2015-09-16 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Conformationally Defined Rexinoids and Their Efficacy in the Prevention of Mammary Cancers. J.Med.Chem., 58, 2015
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3UKP
 
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3UKH
 
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4RMD
 
 | Crystal structure of human Retinoid X receptor alpha ligand binding domain complex with 9cUAB110 and coactivator peptide GRIP-1 | Descriptor: | (2E,4E,6Z,8E)-8-[3-cyclopropyl-2-(3-methylbutyl)cyclohex-2-en-1-ylidene]-3,7-dimethylocta-2,4,6-trienoic acid, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha | Authors: | Xia, G, Muccio, D.D. | Deposit date: | 2014-10-21 | Release date: | 2015-09-23 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Conformationally Defined Rexinoids and Their Efficacy in the Prevention of Mammary Cancers. J.Med.Chem., 58, 2015
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3UKF
 
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