6TZQ
 
 | | A DNA G-quadruplex/i-motif hybrid | | Descriptor: | BARIUM ION, DNA (5'-D(*CP*CP*AP*GP*GP*CP*TP*GP*CP*AP*A)-3') | | Authors: | Chu, B, Paukstelis, P.J. | | Deposit date: | 2019-08-13 | | Release date: | 2019-10-16 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | A DNA G-quadruplex/i-motif hybrid.
Nucleic Acids Res., 47, 2019
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6LFA
 | | Structure of the N-terminal domain of Wag31 | | Descriptor: | Cell wall synthesis protein Wag31, TRIETHYLENE GLYCOL | | Authors: | Chaudhuri, B.N, Choukate, K. | | Deposit date: | 2019-11-30 | | Release date: | 2020-07-15 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural basis of self-assembly in the lipid-binding domain of mycobacterial polar growth factor Wag31
Iucrj, 7, 2020
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8BEO
 | | Crystal structure of E. coli glyoxylate carboligase mutant I393A with MAP | | Descriptor: | (2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 2,3-DIMETHOXY-5-METHYL-1,4-BENZOQUINONE, ... | | Authors: | Shaanan, B, Binshtein, E. | | Deposit date: | 2022-10-21 | | Release date: | 2023-11-08 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Crystal structure of E. coli glyoxylate carboligase mutant I393A with MAP
To Be Published
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6UGQ
 | | Human Carbonic Anhydrase IX-mimic complexed with SB4-206 | | Descriptor: | 5-chloro-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione, Carbonic anhydrase IX-mimic, ZINC ION | | Authors: | Murray, A.B, Lomelino, C.L, McKenna, R. | | Deposit date: | 2019-09-26 | | Release date: | 2019-12-18 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.305 Å) | | Cite: | "A Sweet Combination": Developing Saccharin and Acesulfame K Structures for Selectively Targeting the Tumor-Associated Carbonic Anhydrases IX and XII.
J.Med.Chem., 63, 2020
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7RWW
 | | Crystal structure of a Zn-bound RIDC1 variant | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | Authors: | Kakkis, A, Golub, E. | | Deposit date: | 2021-08-20 | | Release date: | 2022-06-29 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Redox- and metal-directed structural diversification in designed metalloprotein assemblies.
Chem.Commun.(Camb.), 58, 2022
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6TZR
 | | A DNA G-quadruplex/i-motif hybrid | | Descriptor: | BARIUM ION, DNA (5'-D(*CP*CP*AP*GP*GP*CP*(BRU)P*GP*CP*AP*A)-3') | | Authors: | Chu, B, Paukstelis, P.J. | | Deposit date: | 2019-08-13 | | Release date: | 2019-10-16 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | A DNA G-quadruplex/i-motif hybrid.
Nucleic Acids Res., 47, 2019
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7NNR
 | | Crystal structure of Mycobacterium tuberculosis ArgC in complex with xanthene-9-carboxylic acid | | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 9~{H}-xanthene-9-carboxylic acid, N-acetyl-gamma-glutamyl-phosphate reductase | | Authors: | Gupta, P, Mendes, V, Blundell, T.L. | | Deposit date: | 2021-02-25 | | Release date: | 2021-06-30 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis
Comput Struct Biotechnol J, 19, 2021
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8BIT
 | | Crystal structure of acyl-CoA synthetase from Metallosphaera sedula in complex with Coenzyme A and acetyl-AMP | | Descriptor: | 4-hydroxybutyrate--CoA ligase 1, COENZYME A, [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] ethanoate | | Authors: | Capra, N, Thunnissen, A.M.W.H, Janssen, D.B. | | Deposit date: | 2022-11-02 | | Release date: | 2023-11-15 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Adapting an acyl CoA ligase from Metallosphaera sedula for lactam formation by structure-guided protein engineering
Front Catal, 4, 2024
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4ZPL
 | | Crystal Structure of Protocadherin Beta 1 EC1-3 | | Descriptor: | CALCIUM ION, Protein Pcdhb1, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Goodman, K.M, Bahna, F, Shapiro, L. | | Deposit date: | 2015-05-08 | | Release date: | 2015-10-28 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Molecular Logic of Neuronal Self-Recognition through Protocadherin Domain Interactions.
Cell, 163, 2015
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7NLR
 | | Crystal structure of Mycobacterium tuberculosis ArgB in complex with 2-phenyl-1H-imidazole | | Descriptor: | 2-phenyl-1H-imidazole, Acetylglutamate kinase, SULFATE ION | | Authors: | Mendes, V, Thomas, S.E, Cory-Wright, J, Blundell, T.L. | | Deposit date: | 2021-02-22 | | Release date: | 2021-06-30 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.254 Å) | | Cite: | A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis
Comput Struct Biotechnol J, 19, 2021
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7RWU
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5ZVP
 | | Aspergillus fumigatus Rho1 F25N | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Rho GTPase Rho1, ... | | Authors: | Wei, W.F, Van Aalten, D.M.F. | | Deposit date: | 2018-05-12 | | Release date: | 2019-05-15 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Aspergillus fumigateurs Rho1 F25N
To Be Published
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6TZW
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7NN8
 | | Crystal structure of Mycobacterium tuberculosis ArgB in complex with 1H-indole-3-carbonitrile. | | Descriptor: | 1,2-ETHANEDIOL, 1~{H}-indole-3-carbonitrile, Acetylglutamate kinase, ... | | Authors: | Mendes, V, Thomas, S.E, Cory-Wright, J, Blundell, T.L. | | Deposit date: | 2021-02-24 | | Release date: | 2021-06-30 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.267 Å) | | Cite: | A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis
Comput Struct Biotechnol J, 19, 2021
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8ONL
 | | Crystal structure of D-amino acid aminotransferase from Aminobacterium colombiense point mutant E113A | | Descriptor: | Aminotransferase class IV, PYRIDOXAL-5'-PHOSPHATE | | Authors: | Matyuta, I.O, Boyko, K.M, Minyaev, M.E, Shilova, S.A, Bezsudnova, E.Y, Popov, V.O. | | Deposit date: | 2023-04-03 | | Release date: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | In search for structural targets for engineering d-amino acid transaminase: modulation of pH optimum and substrate specificity.
Biochem.J., 480, 2023
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7S81
 | | Structure of human PARP1 domains (Zn1, Zn3, WGR, HD) bound to a DNA double strand break. | | Descriptor: | DNA (5'-D(*AP*TP*GP*CP*GP*GP*CP*CP*GP*CP*AP*T)-3'), Poly [ADP-ribose] polymerase 1, ZINC ION | | Authors: | Rouleau-Turcotte, E, Pascal, J.M. | | Deposit date: | 2021-09-17 | | Release date: | 2022-06-29 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.6 Å) | | Cite: | Captured snapshots of PARP1 in the active state reveal the mechanics of PARP1 allostery.
Mol.Cell, 82, 2022
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7S6H
 | | Human PARP1 deltaV687-E688 bound to NAD+ analog EB-47 and to a DNA double strand break. | | Descriptor: | 1,2-ETHANEDIOL, 2-[4-[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]carbonylpiperazin-1-yl]-N-(1-oxidanylidene-2,3-dihydroisoindol-4-yl)ethanamide, DNA (5'-D(*CP*GP*AP*CP*G)-3'), ... | | Authors: | Rouleau-Turcotte, E, Pascal, J.M. | | Deposit date: | 2021-09-14 | | Release date: | 2022-06-29 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Captured snapshots of PARP1 in the active state reveal the mechanics of PARP1 allostery.
Mol.Cell, 82, 2022
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8ONJ
 | | Crystal structure of D-amino acid aminotransferase from Aminobacterium colombiense point mutant R88L | | Descriptor: | Aminotransferase class IV, DI(HYDROXYETHYL)ETHER, PYRIDOXAL-5'-PHOSPHATE | | Authors: | Matyuta, I.O, Boyko, K.M, Minyaev, M.E, Shilova, S.A, Bezsudnova, E.Y, Popov, V.O. | | Deposit date: | 2023-04-03 | | Release date: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | In search for structural targets for engineering d-amino acid transaminase: modulation of pH optimum and substrate specificity.
Biochem.J., 480, 2023
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7NNZ
 | | Crystal structure of Mycobacterium tuberculosis ArgF in complex with 5-methyl-4-phenylthiazol-2-amine. | | Descriptor: | 5-methyl-4-phenyl-1,3-thiazol-2-amine, Ornithine carbamoyltransferase, PHOSPHATE ION | | Authors: | Mendes, V, Gupta, P, Burgess, A, Sebastian-Perez, V, Cattermole, E, Meghir, C, Blundell, T.L. | | Deposit date: | 2021-02-25 | | Release date: | 2021-06-30 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis
Comput Struct Biotechnol J, 19, 2021
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5ZUT
 | | Crystal Structure of Yeast PCNA in Complex with N24 Peptide | | Descriptor: | N24, Proliferating cell nuclear antigen | | Authors: | Cheng, X.Y, Kuang, X.L, Zhou, Y, Xia, X.M, SU, Z.D. | | Deposit date: | 2018-05-08 | | Release date: | 2018-05-30 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (2.82 Å) | | Cite: | Crystal Structure of Yeast PCNA in Complex with N24 Peptide
To Be Published
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4ZRE
 | | Crystal structure of SMG1 F278D mutant | | Descriptor: | CHLORIDE ION, LIP1, secretory lipase (Family 3), ... | | Authors: | Xu, J, Xu, H, Hou, S, Liu, J. | | Deposit date: | 2015-05-12 | | Release date: | 2015-09-23 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure of product-bound SMG1 lipase: active site gating implications.
Febs J., 282, 2015
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7NN4
 | | Crystal structure of Mycobacterium tuberculosis ArgD with prosthetic group pyridoxal 5'-phosphate and 3-hydroxy-2-naphthoic acid. | | Descriptor: | 3-hydroxynaphthalene-2-carboxylic acid, Acetylornithine aminotransferase, NITRATE ION | | Authors: | Gupta, P, Mendes, V, Blundell, T.L. | | Deposit date: | 2021-02-24 | | Release date: | 2021-06-30 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis
Comput Struct Biotechnol J, 19, 2021
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7N8J
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5ZW9
 | | Crystal structure of Pyridoxal kinase (PdxK) from Salmonella typhimurium | | Descriptor: | 1,2-ETHANEDIOL, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Deka, G, Benazir, J.F, Kalyani, J.N, Savithri, H.S, Murthy, M.R.N. | | Deposit date: | 2018-05-14 | | Release date: | 2019-05-29 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural and functional studies on Salmonella typhimurium pyridoxal kinase: the first structural evidence for the formation of Schiff base with the substrate.
Febs J., 286, 2019
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7NLN
 | | Crystal structure of Mycobacterium tuberculosis ArgB in complex with N-acetyl-glutamate | | Descriptor: | 1,2-ETHANEDIOL, Acetylglutamate kinase, N-ACETYL-L-GLUTAMATE | | Authors: | Mendes, V, Thomas, S.E, Cory-Wright, J, Blundell, T.L. | | Deposit date: | 2021-02-22 | | Release date: | 2021-06-30 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis
Comput Struct Biotechnol J, 19, 2021
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