3NG6
 
 | | The crystal structure of hemoglobin I from Trematomus newnesi in deoxygenated state obtained through an oxidation/reduction cycle in which potassium hexacyanoferrate and sodium dithionite were alternatively added | | Descriptor: | Hemoglobin subunit alpha-1, Hemoglobin subunit beta-1/2, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Vergara, A, Vitagliano, L, Merlino, A, Sica, F, Marino, K, Mazzarella, L. | | Deposit date: | 2010-06-11 | | Release date: | 2010-07-28 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | An order-disorder transition plays a role in switching off the root effect in fish hemoglobins.
J.Biol.Chem., 285, 2010
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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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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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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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5K5X
 | | Crystal structure of human PDGFRA | | Descriptor: | Platelet-derived growth factor receptor alpha, SULFATE ION | | Authors: | Yan, X.E, Liang, L, Yun, C.H. | | Deposit date: | 2016-05-24 | | Release date: | 2016-08-17 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.168 Å) | | Cite: | Structural and biochemical studies of the PDGFRA kinase domain
Biochem.Biophys.Res.Commun., 477, 2016
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7MEY
 | | Structure of yeast Ubr1 in complex with Ubc2 and monoubiquitinated N-degron | | Descriptor: | 2-(ethylamino)ethane-1-thiol, E3 ubiquitin-protein ligase UBR1, Monoubiquitinated N-degron, ... | | Authors: | Pan, M, Zheng, Q, Wang, T, Liang, L, Yu, Y, Liu, L, Zhao, M. | | Deposit date: | 2021-04-08 | | Release date: | 2021-11-24 | | Last modified: | 2021-12-22 | | Method: | ELECTRON MICROSCOPY (3.67 Å) | | Cite: | Structural insights into Ubr1-mediated N-degron polyubiquitination.
Nature, 600, 2021
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7MEX
 | | Structure of yeast Ubr1 in complex with Ubc2 and N-degron | | Descriptor: | E3 ubiquitin-protein ligase UBR1, N-degron, Ubiquitin, ... | | Authors: | Pan, M, Zheng, Q, Wang, T, Liang, L, Yu, Y, Liu, L, Zhao, M. | | Deposit date: | 2021-04-08 | | Release date: | 2021-11-24 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (3.35 Å) | | Cite: | Structural insights into Ubr1-mediated N-degron polyubiquitination.
Nature, 600, 2021
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3HHV
 | | The crystal structure of the Thioredoxin A2 from Sulfolobus solfataricus | | Descriptor: | Thioredoxin (TrxA-2) | | Authors: | Ruggiero, A, Masullo, M, Ruocco, M.R, Arcari, P, Zagari, A, Vitagliano, L. | | Deposit date: | 2009-05-18 | | Release date: | 2009-10-27 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | The dimeric structure of Sulfolobus solfataricus thioredoxin A2 and the basis of its thermostability
Proteins, 77, 2009
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8SWJ
 | | Co-crystal structure of 53BP1 tandem Tudor domains in complex with UNC8531 | | Descriptor: | (3S)-N-(4'-carbamoyl[1,1'-biphenyl]-3-yl)-1-[4-(4-methylpiperazin-1-yl)pyridine-2-carbonyl]piperidine-3-carboxamide, TP53-binding protein 1, UNKNOWN ATOM OR ION | | Authors: | Zeng, H, Dong, A, Shell, D.J, Foley, C, Pearce, K.H, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | | Deposit date: | 2023-05-18 | | Release date: | 2023-08-02 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Co-crystal structure of 53BP1 tandem Tudor domains in complex with UNC8531
To be published
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8T5I
 | | Crystal structure of human WDR5 in complex with MR4397 | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, N-[(2S)-1-(6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)-1-oxopentan-2-yl]-3-[(1H-imidazol-1-yl)methyl]benzamide, ... | | Authors: | Kimani, S, Dong, A, Li, F, Loppnau, P, Ackloo, S, Vedadi, M, Brown, P.J, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | | Deposit date: | 2023-06-13 | | Release date: | 2023-08-09 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structure of human WDR5 in complex with MR4397
To be published
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6Y16
 | | CRYSTAL STRUCTURE OF TMARGBP DOMAIN 1 IN COMPLEX WITH THE GUANIDINIUM ION | | Descriptor: | 1,2-ETHANEDIOL, Amino acid ABC transporter, periplasmic amino acid-binding protein,Amino acid ABC transporter, ... | | Authors: | Ruggiero, A, Balasco, N, Smaldone, G, Graziano, G, Vitagliano, L. | | Deposit date: | 2020-02-11 | | Release date: | 2020-07-15 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Guanidinium binding to proteins: The intriguing effects on the D1 and D2 domains of Thermotoga maritima Arginine Binding Protein and a comprehensive analysis of the Protein Data Bank.
Int.J.Biol.Macromol., 163, 2020
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8T9A
 | | CryoEM structure of human DDB1-DCAF12 in complex with MAGEA3 | | Descriptor: | DDB1- and CUL4-associated factor 12, DNA damage-binding protein 1, Melanoma-associated antigen 3 | | Authors: | Duda, D, Righetto, G, Li, Y, Loppnau, P, Seitova, A, Santhakumar, V, Halabelian, L, Yin, Y. | | Deposit date: | 2023-06-23 | | Release date: | 2024-04-10 | | Method: | ELECTRON MICROSCOPY (3.17 Å) | | Cite: | CryoEM structure of human DDB1-DCAF12 in complex with MAGEA3
To Be Published
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8UWP
 | | Crystal structure of SETDB1 Tudor domain in complex with MR46747 | | Descriptor: | (3S)-N-(4-chloro-3-{[2-(diethylamino)ethyl]carbamoyl}phenyl)-3-(diethylamino)pyrrolidine-1-carboxamide, 1,2-ETHANEDIOL, Histone-lysine N-methyltransferase SETDB1, ... | | Authors: | Shrestha, S, Beldar, S, Dong, A, Ackloo, S, Brown, P.J, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | | Deposit date: | 2023-11-07 | | Release date: | 2023-11-22 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Crystal structure of SETDB1 Tudor domain in complex with MR46747
To be published
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8VL7
 | | Co-crystal structure of human TREX1 in complex with an inhibitor | | Descriptor: | (2P)-2-[3-bromo-2-(2-hydroxyethoxy)phenyl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxo-1,6-dihydropyrimidine-4-carboxamide, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | Authors: | Dehghani-Tafti, S, Dong, A, Li, Y, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L. | | Deposit date: | 2024-01-11 | | Release date: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Co-crystal structure of human TREX1 in complex with an inhibitor
To be published
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8V1F
 | | TMPRSS2 complexed with the noncovalent inhibitor 6-amidino-2-napthol | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Fraser, B.J, Dong, A, Kutera, M, Seitova, A, Li, Y, Hutchinson, A, Edwards, A, Benard, F, Halabelian, L, Arrowsmith, C, Structural Genomics Consortium (SGC) | | Deposit date: | 2023-11-20 | | Release date: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | TMPRSS2 complexed with the noncovalent inhibitor 6-amidino-2-napthol
To Be Published
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8W3V
 | | Crystal structure of human WDR41 | | Descriptor: | WD repeat-containing protein 41 | | Authors: | Hutchinson, A, Dong, A, Li, Y, Seitova, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | | Deposit date: | 2024-02-22 | | Release date: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structure of human WDR41
To be published
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8T55
 | | Co-crystal structure of the WD-repeat domain of human WDR91 in complex with MR46654 | | Descriptor: | 1,2-ETHANEDIOL, N-[3-(4-chlorophenyl)oxetan-3-yl]-1-propanoyl-1,2,3,4-tetrahydroquinoline-5-carboxamide, WD repeat-containing protein 91 | | Authors: | Ahmad, H, Zeng, H, Dong, A, Li, Y, Yen, H, Seitova, A, Xu, J, Feng, J.W, Brown, P.J, Santhakumar, V, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | | Deposit date: | 2023-06-12 | | Release date: | 2023-07-05 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Discovery of a First-in-Class Small-Molecule Ligand for WDR91 Using DNA-Encoded Chemical Library Selection Followed by Machine Learning.
J.Med.Chem., 66, 2023
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8TBX
 | | Crystal structure of human DDX1 helicase in complex with ADP | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ATP-dependent RNA helicase DDX1, MAGNESIUM ION, ... | | Authors: | Zeng, H, Dong, A, Li, Y, Yen, H, Hejazi, Z, Seitova, A, Arrowsmith, C.H, Edwards, A.M, Halabelian, L. | | Deposit date: | 2023-06-29 | | Release date: | 2023-07-26 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.71 Å) | | Cite: | Crystal structure of human DDX1 helicase in complex with ADP
To be published
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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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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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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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6A32
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1EF7
 | | CRYSTAL STRUCTURE OF HUMAN CATHEPSIN X | | Descriptor: | CATHEPSIN X | | Authors: | Guncar, G, Klemencic, I, Turk, B, Turk, V, Karaoglanovic-Carmona, A, Juliano, L, Turk, D. | | Deposit date: | 2000-02-07 | | Release date: | 2000-03-15 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.67 Å) | | Cite: | Crystal structure of cathepsin X: a flip-flop of the ring of His23 allows carboxy-monopeptidase and carboxy-dipeptidase activity of the protease.
Structure Fold.Des., 8, 2000
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