9BBH
| Co-crystal structure of human DDB1 bound to fragment UB028670 | Descriptor: | 1,2-ETHANEDIOL, 4-methoxy-1H-indole, DNA damage-binding protein 1, ... | Authors: | Zeng, H, Dong, A, Frommlet, A, Seitova, A, Loppnau, P, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | Deposit date: | 2024-04-05 | Release date: | 2024-06-12 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Co-crystal structure of human DDB1 bound to fragment UB028670 To be published
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9BBE
| Co-crystal structure of human DDB1 bound to fragment UB028668 | Descriptor: | 5-(4-methoxyphenyl)-3-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazole, DNA damage-binding protein 1, L(+)-TARTARIC ACID, ... | Authors: | Zeng, H, Dong, A, Frommlet, A, Seitova, A, Loppnau, P, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | Deposit date: | 2024-04-05 | Release date: | 2024-06-12 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Co-crystal structure of human DDB1 bound to fragment UB028668 To be published
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9C1Q
| Crystal structure of the WDR domain of human DCAF1 in complex with OICR-39512 compound | Descriptor: | (4P)-N-[(1S)-3-amino-1-(3-chloro-4-fluorophenyl)-3-oxopropyl]-4-(4-chloro-2-fluorophenyl)-5-(3-methoxyprop-1-yn-1-yl)-1H-pyrrole-3-carboxamide, CHLORIDE ION, DDB1- and CUL4-associated factor 1, ... | Authors: | kimani, S, Dong, A, Li, Y, Seitova, A, Al-awar, R, Wilson, B, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L. | Deposit date: | 2024-05-29 | Release date: | 2024-08-07 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of the WDR domain of human DCAF1 in complex with OICR-39512 compound To be published
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9C61
| Crystal structure of the human LRRK2 WDR domain in complex with CACHE1193-26 | Descriptor: | (4R)-4-[4-(5-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]piperidin-2-one, Non-specific serine/threonine protein kinase, UNKNOWN ATOM OR ION | Authors: | Zeng, H, Dong, A, Kutera, M, Ilyassov, O, Seitova, A, Loppnau, P, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Halabelian, L. | Deposit date: | 2024-06-07 | Release date: | 2024-07-03 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal structure of the human LRRK2 WDR domain in complex with CACHE1193-26 To be published
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9BBG
| Co-crystal structure of human DDB1 bound to fragment UB028671 | Descriptor: | 1,2-ETHANEDIOL, 1H-indol-6-amine, DNA damage-binding protein 1, ... | Authors: | Zeng, H, Dong, A, Frommlet, A, Seitova, A, Loppnau, P, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | Deposit date: | 2024-04-05 | Release date: | 2024-06-12 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Co-crystal structure of human DDB1 bound to fragment UB028671 To be published
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9BBI
| Co-crystal structure of human DDB1 bound to fragment UB028669 | Descriptor: | 3-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline, DNA damage-binding protein 1, L(+)-TARTARIC ACID, ... | Authors: | Zeng, H, Dong, A, Frommlet, A, Seitova, A, Loppnau, P, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | Deposit date: | 2024-04-05 | Release date: | 2024-06-12 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Co-crystal structure of human DDB1 bound to fragment UB028669 To be published
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9AVA
| Co-crystal structure of human TREX1 in complex with an inhibitor | Descriptor: | (2R)-2-[(5R,6S,8R,9aS)-8-amino-1-oxo-5-(2-phenylethyl)hexahydro-1H-pyrrolo[1,2-a][1,4]diazepin-2(3H)-yl]-N-[(3,4-dichlorophenyl)methyl]-4-methylpentanamide, POTASSIUM ION, Three-prime repair exonuclease 1, ... | Authors: | Dehghani-Tafti, S, Dong, A, Li, Y, Xu, J, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | Deposit date: | 2024-03-01 | Release date: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Co-crystal structure of human TREX1 in complex with an inhibitor To be published
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9BKR
| Crystal structure of the Human TRIP12 WWE domain (isoform 2) in complex with ATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Isoform 2 of E3 ubiquitin-protein ligase TRIP12, UNKNOWN ATOM OR ION | Authors: | Kimani, S, Dong, A, Li, Y, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | Deposit date: | 2024-04-29 | Release date: | 2024-07-31 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Crystal structure of the Human TRIP12 WWE domain (isoform 2) in complex with ATP To be published
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9BHR
| Crystal structure of the WDR domain of human DCAF1 in complex with OICR-40155 compound | Descriptor: | (4P)-N-[(1S)-3-amino-1-(3-chloro-4-fluorophenyl)-3-oxopropyl]-4-(4-chloro-2-fluorophenyl)-5-{(1E)-3-[(2-methoxyethyl)amino]-3-oxoprop-1-en-1-yl}-1H-pyrrole-3-carboxamide, DDB1- and CUL4-associated factor 1 | Authors: | kimani, S, Dong, A, Li, Y, Seitova, A, Al-Awar, R, Krausser, C, Wilson, B, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | Deposit date: | 2024-04-21 | Release date: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Crystal structure of the WDR domain of human DCAF1 in complex with OICR-40155 compound To be published
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6Q3U
| Gly52Ala mutant of arginine-bound ArgBP from T. maritima | Descriptor: | ARGININE, Amino acid ABC transporter, periplasmic amino acid-binding protein, ... | Authors: | Balasco, N, Smaldone, G, Ruggiero, A, Vitagliano, L. | Deposit date: | 2018-12-04 | Release date: | 2019-05-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | The characterization of Thermotoga maritima Arginine Binding Protein variants demonstrates that minimal local strains have an important impact on protein stability. Sci Rep, 9, 2019
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1DY5
| Deamidated derivative of bovine pancreatic ribonuclease | Descriptor: | ACETATE ION, ISOPROPYL ALCOHOL, RIBONUCLEASE A, ... | Authors: | Esposito, L, Vitagliano, L, Sica, F, Zagari, A, Mazzarella, L. | Deposit date: | 2000-01-27 | Release date: | 2000-03-28 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (0.87 Å) | Cite: | The Ultrahigh Resolution Crystal Structure of Ribonuclease A Containing an Isoaspartyl Residue: Hydration and Sterochemical Analysis. J.Mol.Biol., 297, 2000
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6GPD
| Crystal structure of the ligand-free form of domain 1 from TmArgBP | Descriptor: | Amino acid ABC transporter, periplasmic amino acid-binding protein,Amino acid ABC transporter, periplasmic amino acid-binding protein | Authors: | Smaldone, G, Balasco, N, Ruggiero, A, Berisio, R, Vitagliano, L. | Deposit date: | 2018-06-05 | Release date: | 2018-08-15 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Domain communication in Thermotoga maritima Arginine Binding Protein unraveled through protein dissection. Int. J. Biol. Macromol., 119, 2018
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6GGP
| Structure of the ligand-free form of truncated ArgBP (residues 20-233) from T. maritima | Descriptor: | Amino acid ABC transporter, periplasmic amino acid-binding protein | Authors: | Smaldone, G, Berisio, R, Balasco, N, D'Auria, S, Vitagliano, L, Ruggiero, A. | Deposit date: | 2018-05-03 | Release date: | 2018-06-13 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.03 Å) | Cite: | Domain swapping dissection in Thermotoga maritima arginine binding protein: How structural flexibility may compensate destabilization. Biochim. Biophys. Acta, 1866, 2018
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6GPC
| Crystal structure of the arginine-bound form of domain 1 from TmArgBP | Descriptor: | ARGININE, Amino acid ABC transporter, periplasmic amino acid-binding protein,Amino acid ABC transporter, ... | Authors: | Smaldone, G, Balasco, N, Ruggiero, A, Berisio, R, Vitagliano, L. | Deposit date: | 2018-06-05 | Release date: | 2018-08-15 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Domain communication in Thermotoga maritima Arginine Binding Protein unraveled through protein dissection. Int. J. Biol. Macromol., 119, 2018
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6GPM
| Crystal structure of domain 2 from TmArgBP | Descriptor: | Amino acid ABC transporter, periplasmic amino acid-binding protein | Authors: | Smaldone, G, Balasco, N, Ruggiero, A, Berisio, R, Vitagliano, L. | Deposit date: | 2018-06-06 | Release date: | 2018-08-15 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Domain communication in Thermotoga maritima Arginine Binding Protein unraveled through protein dissection. Int. J. Biol. Macromol., 119, 2018
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6GGV
| Structure of the arginine-bound form of truncated (residues 20-233) ArgBP from T. maritima | Descriptor: | ARGININE, Amino acid ABC transporter, periplasmic amino acid-binding protein, ... | Authors: | Smaldone, G, Berisio, R, Balasco, N, D'Auria, S, Vitagliano, L, Ruggiero, A. | Deposit date: | 2018-05-04 | Release date: | 2018-06-13 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.69 Å) | Cite: | Domain swapping dissection in Thermotoga maritima arginine binding protein: How structural flexibility may compensate destabilization. Biochim. Biophys. Acta, 1866, 2018
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5E27
| The structure of Resuscitation Promoting Factor B from M. tuberculosis reveals unexpected ubiquitin-like domains | Descriptor: | Resuscitation-promoting factor RpfB | Authors: | Ruggiero, A, Squeglia, F, Romano, M, Vitagliano, L, De Simone, A, Berisio, R. | Deposit date: | 2015-09-30 | Release date: | 2015-11-18 | Last modified: | 2015-12-23 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | The structure of Resuscitation promoting factor B from M. tuberculosis reveals unexpected ubiquitin-like domains. Biochim.Biophys.Acta, 1860, 2015
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8G5E
| Crystal Structure of SETDB1 Tudor domain in complex with UNC6535 | Descriptor: | Histone-lysine N-methyltransferase SETDB1, N~4~-[6-(dimethylamino)hexyl]-N~2~-[5-(dimethylamino)pentyl]-6,7-dimethoxyquinazoline-2,4-diamine, UNKNOWN ATOM OR ION | Authors: | Beldar, S, Dong, A, Brown, P.J, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | Deposit date: | 2023-02-13 | Release date: | 2023-02-22 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Crystal Structure of SETDB1 Tudor domain in complex with UNC6535 To be published
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8GCY
| Co-crystal structure of CBL-B in complex with N-Aryl isoindolin-1-one inhibitor | Descriptor: | 1,2-ETHANEDIOL, 2-{3-[(1s,3R)-3-methyl-1-(4-methyl-4H-1,2,4-triazol-3-yl)cyclobutyl]phenyl}-6-{[(3S)-3-methylpiperidin-1-yl]methyl}-4-(trifluoromethyl)-2,3-dihydro-1H-isoindol-1-one, E3 ubiquitin-protein ligase CBL-B, ... | Authors: | Kimani, S, Zeng, H, Dong, A, Li, Y, Santhakumar, V, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | Deposit date: | 2023-03-03 | Release date: | 2023-03-22 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | The co-crystal structure of Cbl-b and a small-molecule inhibitor reveals the mechanism of Cbl-b inhibition. Commun Biol, 6, 2023
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6NM4
| Crystal structure of SAM-bound PRDM9 in complex with MRK-740 inhibitor | Descriptor: | 4-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-9-(2-methylpyridin-4-yl)-1,4,9-triazaspiro[5.5]undecane, Histone-lysine N-methyltransferase PRDM9, S-ADENOSYLMETHIONINE, ... | Authors: | Ivanochko, D, Halabelian, L, Fischer, C, Sanders, J.M, Kattar, S.D, Brown, P.J, Edwards, A.M, Bountra, C, Arrowsmith, C.H, Structural Genomics Consortium (SGC) | Deposit date: | 2019-01-10 | Release date: | 2019-02-13 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.58 Å) | Cite: | Discovery of a chemical probe for PRDM9. Nat Commun, 10, 2019
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2H8F
| Crystal structure of deoxy hemoglobin from Trematomus bernacchii at pH 6.2 | Descriptor: | Hemoglobin alpha subunit, Hemoglobin beta subunit, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Mazzarella, L, Vergara, A, Vitagliano, L, Merlino, A, Bonomi, G, Scala, S, Verde, C, di Prisco, G. | Deposit date: | 2006-06-07 | Release date: | 2006-08-29 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | High resolution crystal structure of deoxy hemoglobin from Trematomus bernacchii at different pH values: The role of histidine residues in modulating the strength of the root effect. Proteins, 65, 2006
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1LSQ
| RIBONUCLEASE A WITH ASN 67 REPLACED BY A BETA-ASPARTYL RESIDUE | Descriptor: | RIBONUCLEASE A, SULFATE ION | Authors: | Esposito, L, Sica, F, Vitagliano, L, Zagari, A, Mazzarella, L. | Deposit date: | 1996-06-25 | Release date: | 1997-01-11 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Deamidation in proteins: the crystal structure of bovine pancreatic ribonuclease with an isoaspartyl residue at position 67. J.Mol.Biol., 257, 1996
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3GKV
| X-ray structure of an intermediate along the oxidation pathway of Trematomus bernacchii hemoglobin | Descriptor: | CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | Authors: | Merlino, A, Vitagliano, L, Sica, F, Vergara, A, Mazzarella, L. | Deposit date: | 2009-03-11 | Release date: | 2009-05-05 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Combined crystallographic and spectroscopic analysis of Trematomus bernacchii hemoglobin highlights analogies and differences in the peculiar oxidation pathway of Antarctic fish hemoglobins Biopolymers, 91, 2009
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4QBB
| Structure of the foot-and-mouth disease virus leader proteinase in complex with inhibitor (N~2~-[(3S)-4-({(2R)-1-[(4-CARBAMIMIDAMIDOBUTYL)AMINO]-4-METHYL-1-OXOPENTAN-2-YL}AMINO)-3-HYDROXY-4-OXOBUTANOYL]-L-ARGINYL-L-PROLINAMIDE) | Descriptor: | Leader protease, N~2~-[(3S)-4-({(2R)-1-[(4-carbamimidamidobutyl)amino]-4-methyl-1-oxopentan-2-yl}amino)-3-hydroxy-4-oxobutanoyl]-L-arginyl-L-prolinamide, PHOSPHATE ION, ... | Authors: | Grishkovskaya, I, Steinberger, J, Cencic, R, Juliano, M.A, Juliano, L, Skern, T. | Deposit date: | 2014-05-07 | Release date: | 2014-11-05 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Foot-and-mouth disease virus leader proteinase: Structural insights into the mechanism of intermolecular cleavage. Virology, 468-470C, 2014
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2V64
| Crystallographic structure of the conformational dimer of the Spindle Assembly Checkpoint protein Mad2. | Descriptor: | MBP1, MITOTIC SPINDLE ASSEMBLY CHECKPOINT PROTEIN MAD2A | Authors: | Mapelli, M, Massimiliano, L, Santaguida, S, Musacchio, A. | Deposit date: | 2007-07-13 | Release date: | 2007-11-27 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | The MAD2 Conformational Dimer: Structure and Implications for the Spindle Assembly Checkpoint Cell(Cambridge,Mass.), 131, 2007
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