5AZD
| Crystal structure of thermophilic rhodopsin. | Descriptor: | Bacteriorhodopsin | Authors: | Mizutani, K, Hashimoto, N, Tsukamoto, T, Yamashita, K, Yamamoto, M, Sudo, Y, Murata, T. | Deposit date: | 2015-09-30 | Release date: | 2016-04-27 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | X-ray crystallographic structure of thermophilic rhodopsin: implications for high thermal stability and optogenetic availability. To Be Published
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5ZJ9
| human D-amino acid oxidase complexed with 5-chlorothiophene-3-carboxylic acid | Descriptor: | 5-chloro thiophene-3-carboxylic acid, D-amino-acid oxidase, FLAVIN-ADENINE DINUCLEOTIDE | Authors: | Kato, Y, Hin, N, Maita, N, Thomas, A.G, Kurosawa, S, Rojas, C, Yorita, K, Slusher, B.S, Fukui, K, Tsukamoto, T. | Deposit date: | 2018-03-19 | Release date: | 2018-10-10 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural basis for potent inhibition of d-amino acid oxidase by thiophene carboxylic acids Eur J Med Chem, 159, 2018
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5ZJA
| human D-amino acid oxidase complexed with 5-chlorothiophene-2-carboxylic acid | Descriptor: | 5-chloro thiophene-2-carboxylic acid, D-amino-acid oxidase, FLAVIN-ADENINE DINUCLEOTIDE | Authors: | Kato, Y, Hin, N, Maita, N, Thomas, A.G, Kurosawa, S, Rojas, C, Yorita, K, Slusher, B.S, Fukui, K, Tsukamoto, T. | Deposit date: | 2018-03-19 | Release date: | 2018-10-10 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural basis for potent inhibition of d-amino acid oxidase by thiophene carboxylic acids Eur J Med Chem, 159, 2018
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2C6C
| membrane-bound glutamate carboxypeptidase II (GCPII) in complex with GPI-18431 (S)-2-(4-iodobenzylphosphonomethyl)-pentanedioic acid | Descriptor: | (2S)-2-{[HYDROXY(4-IODOBENZYL)PHOSPHORYL]METHYL}PENTANEDIOIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Mesters, J.R, Barinka, C, Li, W, Tsukamoto, T, Majer, P, Slusher, B.S, Konvalinka, J, Hilgenfeld, R. | Deposit date: | 2005-11-09 | Release date: | 2006-02-15 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure of Glutamate Carboxypeptidase II, a Drug Target in Neuronal Damage and Prostate Cancer. Embo J., 25, 2006
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2C6G
| Membrane-bound glutamate carboxypeptidase II (GCPII) with bound glutamate | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Mesters, J.R, Barinka, C, Li, W, Tsukamoto, T, Majer, P, Slusher, B.S, Konvalinka, J, Hilgenfeld, R. | Deposit date: | 2005-11-09 | Release date: | 2006-02-15 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure of glutamate carboxypeptidase II, a drug target in neuronal damage and prostate cancer. EMBO J., 25, 2006
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2C6P
| Membrane-bound glutamate carboxypeptidase II (GCPII) in complex with phosphate anion | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Mesters, J.R, Barinka, C, Li, W, Tsukamoto, T, Majer, P, Slusher, B.S, Konvalinka, J, Hilgenfeld, R. | Deposit date: | 2005-11-11 | Release date: | 2006-02-15 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | Structure of Glutamate Carboxypeptidase II, a Drug Target in Neuronal Damage and Prostate Cancer. Embo J., 25, 2006
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5F9E
| Structure of Protein Kinase C theta with compound 10: 2,2-dimethyl-7-(2-oxidanylidene-3~{H}-imidazo[4,5-b]pyridin-1-yl)-1-(phenylmethyl)-3~{H}-quinazolin-4-one | Descriptor: | 2,2-dimethyl-7-(2-oxidanylidene-3~{H}-imidazo[4,5-b]pyridin-1-yl)-1-(phenylmethyl)-3~{H}-quinazolin-4-one, Protein kinase C theta type | Authors: | Klein, M. | Deposit date: | 2015-12-09 | Release date: | 2016-05-11 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery and optimization of 1,7-disubstituted-2,2-dimethyl-2,3-dihydroquinazolin-4(1H)-ones as potent and selective PKC theta inhibitors. Bioorg.Med.Chem., 24, 2016
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6EZ9
| X-ray structure of human glutamate carboxypeptidase II (GCPII) - the E424M inactive mutant, in complex with a inhibitor JHU3372 | Descriptor: | (2~{S})-2-[[(2~{S})-4-methyl-1-oxidanyl-1-oxidanylidene-pentan-2-yl]oxycarbonylamino]pentanedioic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Barinka, C, Novakova, Z, Motlova, L. | Deposit date: | 2017-11-14 | Release date: | 2018-12-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Structural and computational basis for potent inhibition of glutamate carboxypeptidase II by carbamate-based inhibitors. Bioorg.Med.Chem., 27, 2019
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6ETY
| X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with a inhibitor JHU3371 | Descriptor: | (2~{S})-2-[[(2~{R})-4-methyl-1-oxidanyl-1-oxidanylidene-pentan-2-yl]carbamoyloxy]pentanedioic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Barinka, C, Novakova, Z, Motlova, L. | Deposit date: | 2017-10-27 | Release date: | 2018-11-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Structural and computational basis for potent inhibition of glutamate carboxypeptidase II by carbamate-based inhibitors. Bioorg.Med.Chem., 27, 2019
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6FE5
| X-ray structure of human glutamate carboxypeptidase II (GCPII) - the E424M inactive mutant, in complex with a inhibitor JHU 2249 | Descriptor: | (2~{S})-2-[[(2~{S})-4-methyl-1-oxidanyl-1-oxidanylidene-pentan-2-yl]carbamoylamino]pentanedioic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Barinka, C, Novakova, Z, Motlova, L. | Deposit date: | 2017-12-29 | Release date: | 2019-01-30 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Structural and computational basis for potent inhibition of glutamate carboxypeptidase II by carbamate-based inhibitors. Bioorg.Med.Chem., 27, 2019
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6F5L
| X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with a inhibitor JHU2379 | Descriptor: | (2~{S})-2-[[(2~{S})-4-methyl-1-oxidanyl-1-oxidanylidene-pentan-2-yl]carbamoyloxy]pentanedioic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Barinka, C, Novakova, Z, Motlova, L. | Deposit date: | 2017-12-01 | Release date: | 2018-12-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Structural and computational basis for potent inhibition of glutamate carboxypeptidase II by carbamate-based inhibitors. Bioorg.Med.Chem., 27, 2019
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7VOZ
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8JH0
| Crystal structure of the light-driven sodium pump IaNaR | Descriptor: | RETINAL, Xanthorhodopsin | Authors: | Hashimoto, T, Kato, K, Tanaka, Y, Yao, M, Kikukawa, T. | Deposit date: | 2023-05-22 | Release date: | 2023-11-01 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.79 Å) | Cite: | Multistep conformational changes leading to the gate opening of light-driven sodium pump rhodopsin. J.Biol.Chem., 299, 2023
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8TVT
| Structure of human Cysteine desulfurase Nfs1 with L-propargylglycine bound to active site PLP in complex with ISD11, Acp1 and ISCU2 | Descriptor: | 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 2,5,8,11,14,17-HEXAOXANONADECAN-19-OL, ... | Authors: | Cygler, M, Boniecki, M.T. | Deposit date: | 2023-08-18 | Release date: | 2024-09-11 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | D-Cysteine impairs tumor growth by inhibiting cysteine desulfurase NFS1 To Be Published
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7DEH
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5JYO
| Allosteric inhibition of Kidney Isoform of Glutaminase | Descriptor: | 2-(pyridin-2-yl)-N-(5-{4-[6-({[3-(trifluoromethoxy)phenyl]acetyl}amino)pyridazin-3-yl]butyl}-1,3,4-thiadiazol-2-yl)acetamide, Glutaminase kidney isoform, mitochondrial | Authors: | Sivaraman, J, Jayaraman, S. | Deposit date: | 2016-05-15 | Release date: | 2016-08-03 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.098 Å) | Cite: | Structural basis for exploring the allosteric inhibition of human kidney type glutaminase. Oncotarget, 7, 2016
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5JYP
| Allosteric inhibition of Kidney Isoform of Glutaminase | Descriptor: | 2-phenyl-~{N}-[5-[(1~{S},3~{S})-3-[5-(2-phenylethanoylamino)-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]ethanamide, Glutaminase kidney isoform, mitochondrial | Authors: | Ramachandran, S, Sivaraman, J. | Deposit date: | 2016-05-15 | Release date: | 2016-08-03 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.74 Å) | Cite: | Structural basis for exploring the allosteric inhibition of human kidney type glutaminase. Oncotarget, 7, 2016
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5D29
| X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with a hydroxamate inhibitor JHU241 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-[(2~{S})-2-carboxy-5-(oxidanylamino)-5-oxidanylidene-pentyl]benzoic acid, ... | Authors: | Barinka, C, Novakova, Z, Pavlicek, J. | Deposit date: | 2015-08-05 | Release date: | 2016-04-27 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Unprecedented Binding Mode of Hydroxamate-Based Inhibitors of Glutamate Carboxypeptidase II: Structural Characterization and Biological Activity. J.Med.Chem., 59, 2016
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5ELY
| X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with a hydroxamate inhibitor JHU242 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-[(2~{R})-2-carboxy-5-(oxidanylamino)-5-oxidanylidene-pentyl]benzoic acid, ... | Authors: | Barinka, C, Novakova, Z, Pavlicek, J. | Deposit date: | 2015-11-05 | Release date: | 2016-04-27 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Unprecedented Binding Mode of Hydroxamate-Based Inhibitors of Glutamate Carboxypeptidase II: Structural Characterization and Biological Activity. J.Med.Chem., 59, 2016
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2OR4
| A high resolution crystal structure of human glutamate carboxypeptidase II in complex with quisqualic acid | Descriptor: | (S)-2-AMINO-3-(3,5-DIOXO-[1,2,4]OXADIAZOLIDIN-2-YL)-PROPIONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Barinka, C, Lubkowski, J. | Deposit date: | 2007-02-01 | Release date: | 2007-06-12 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Structural insight into the pharmacophore pocket of human glutamate carboxypeptidase II. J.Med.Chem., 50, 2007
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2PVW
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2PVV
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3BI0
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3BI1
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3BHX
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