7SUL
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![BU of 7sul by Molmil](/molmil-images/mine/7sul) | Crystal structure of the WD-repeat domain of human SEC31A | Descriptor: | Protein transport protein Sec31A | Authors: | Zeng, H, Dong, A, Loppnau, P, Hutchinson, A, Seitova, A, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | Deposit date: | 2021-11-17 | Release date: | 2021-12-01 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structure of the WD-repeat domain of human SEC31A To Be Published
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7SSE
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![BU of 7sse by Molmil](/molmil-images/mine/7sse) | Crystal structure of the WDR domain of human DCAF1 in complex with CYCA-117-70 | Descriptor: | DDB1- and CUL4-associated factor 1, N-[(3R)-1-(3-fluorophenyl)piperidin-3-yl]-6-(morpholin-4-yl)pyrimidin-4-amine | Authors: | Kimani, S, Owen, J, Li, A, Dong, A, Li, Y, Hutchinson, A, Seitova, A, Shahani, V.M, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | Deposit date: | 2021-11-10 | Release date: | 2021-12-15 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Discovery of a Novel DCAF1 Ligand Using a Drug-Target Interaction Prediction Model: Generalizing Machine Learning to New Drug Targets. J.Chem.Inf.Model., 63, 2023
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7T39
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![BU of 7t39 by Molmil](/molmil-images/mine/7t39) | Co-crystal structure of human PRMT9 in complex with MT221 inhibitor | Descriptor: | 7-[5-S-(4-{[(2-ethylpyridin-3-yl)methyl]amino}butyl)-5-thio-beta-D-ribofuranosyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine, Protein arginine N-methyltransferase 9 | Authors: | Zeng, H, Dong, A, Hutchinson, A, Seitova, A, Li, Y, Gao, Y.D, Schneider, S, Siliphaivanh, P, Sloman, D, Nicholson, B, Fischer, C, Hicks, J, Brown, P.J, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | Deposit date: | 2021-12-07 | Release date: | 2021-12-22 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.81 Å) | Cite: | Co-crystal structure of human PRMT9 in complex with MT221 inhibitor To Be Published
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5K5X
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![BU of 5k5x by Molmil](/molmil-images/mine/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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6CE8
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![BU of 6ce8 by Molmil](/molmil-images/mine/6ce8) | Crystal structure of fragment 2-(Benzo[d]thiazol-2-yl)acetic acid bound in the ubiquitin binding pocket of the HDAC6 zinc-finger domain | Descriptor: | (1,3-benzothiazol-2-yl)acetic acid, Histone deacetylase 6, UNKNOWN ATOM OR ION, ... | Authors: | Harding, R.J, Halabelian, L, Ferreira de Freitas, R, Ravichandran, M, Santhakumar, V, Schapira, M, Bountra, C, Edwards, A.M, Arrowsmith, C.M, Structural Genomics Consortium (SGC) | Deposit date: | 2018-02-11 | Release date: | 2018-02-28 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Identification and Structure-Activity Relationship of HDAC6 Zinc-Finger Ubiquitin Binding Domain Inhibitors. J. Med. Chem., 61, 2018
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6CEC
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![BU of 6cec by Molmil](/molmil-images/mine/6cec) | Crystal structure of fragment 3-(3-Methoxy-2-quinoxalinyl)propanoic acid bound in the ubiquitin binding pocket of the HDAC6 zinc-finger domain | Descriptor: | 3-(3-methoxyquinoxalin-2-yl)propanoic acid, Histone deacetylase 6, UNKNOWN ATOM OR ION, ... | Authors: | Harding, R.J, Halabelian, L, Ferreira de Freitas, R, Franzoni, I, Ravichandran, M, Lautens, M, Santhakumar, V, Schapira, M, Bountra, C, Edwards, A.M, Arrowsmith, C.M, Structural Genomics Consortium (SGC) | Deposit date: | 2018-02-11 | Release date: | 2018-02-28 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Identification and Structure-Activity Relationship of HDAC6 Zinc-Finger Ubiquitin Binding Domain Inhibitors. J. Med. Chem., 61, 2018
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6CEF
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![BU of 6cef by Molmil](/molmil-images/mine/6cef) | Crystal structure of fragment 3-(1,3-Benzothiazol-2-yl)propanoic acid bound in the ubiquitin binding pocket of the HDAC6 zinc-finger domain | Descriptor: | 3-(1,3-benzothiazol-2-yl)propanoic acid, Histone deacetylase 6, UNKNOWN ATOM OR ION, ... | Authors: | Harding, R.J, Halabelian, L, Ferreira de Freitas, R, Ravichandran, M, Santhakumar, V, Schapira, M, Bountra, C, Edwards, A.M, Arrowsmith, C.M, Structural Genomics Consortium (SGC) | Deposit date: | 2018-02-11 | Release date: | 2018-02-28 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Identification and Structure-Activity Relationship of HDAC6 Zinc-Finger Ubiquitin Binding Domain Inhibitors. J. Med. Chem., 61, 2018
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6CEA
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![BU of 6cea by Molmil](/molmil-images/mine/6cea) | Crystal structure of fragment 3-(quinolin-2-yl)propanoic acid bound in the ubiquitin binding pocket of the HDAC6 zinc-finger domain | Descriptor: | 3-(quinolin-2-yl)propanoic acid, Histone deacetylase 6, UNKNOWN ATOM OR ION, ... | Authors: | Harding, R.J, Halabelian, L, Ferreira de Freitas, R, Ravichandran, M, Santhakumar, V, Schapira, M, Bountra, C, Edwards, A.M, Arrowsmith, C.M, Structural Genomics Consortium (SGC) | Deposit date: | 2018-02-11 | Release date: | 2018-02-28 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Identification and Structure-Activity Relationship of HDAC6 Zinc-Finger Ubiquitin Binding Domain Inhibitors. J. Med. Chem., 61, 2018
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6CEE
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![BU of 6cee by Molmil](/molmil-images/mine/6cee) | Crystal structure of fragment 3-(1-Methyl-2-oxo-1,2-dihydroquinoxalin-3-yl)propionic acid bound in the ubiquitin binding pocket of the HDAC6 zinc-finger domain | Descriptor: | 3-(4-methyl-3-oxo-3,4-dihydroquinoxalin-2-yl)propanoic acid, Histone deacetylase 6, UNKNOWN ATOM OR ION, ... | Authors: | Harding, R.J, Halabelian, L, Ferreira de Freitas, R, Franzoni, I, Ravichandran, M, Lautens, M, Santhakumar, V, Schapira, M, Bountra, C, Edwards, A.M, Arrowsmith, C.M, Structural Genomics Consortium (SGC) | Deposit date: | 2018-02-11 | Release date: | 2018-02-28 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Identification and Structure-Activity Relationship of HDAC6 Zinc-Finger Ubiquitin Binding Domain Inhibitors. J. Med. Chem., 61, 2018
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6CE6
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![BU of 6ce6 by Molmil](/molmil-images/mine/6ce6) | Structure of HDAC6 zinc-finger ubiquitin binding domain soaked with 3,3'-(benzo[1,2-d:5,4-d']bis(thiazole)-2,6-diyl)dipropionic acid | Descriptor: | 3,3'-(benzo[1,2-d:5,4-d']bis[1,3]thiazole-2,6-diyl)dipropanoic acid, Histone deacetylase 6, UNKNOWN ATOM OR ION, ... | Authors: | Harding, R.J, Halabelian, L, Ferreira de Freitas, R, Ravichandran, M, Santhakumar, V, Schapira, M, Bountra, C, Edwards, A.M, Arrowsmith, C.M, Structural Genomics Consortium (SGC) | Deposit date: | 2018-02-11 | Release date: | 2018-02-28 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Identification and Structure-Activity Relationship of HDAC6 Zinc-Finger Ubiquitin Binding Domain Inhibitors. J. Med. Chem., 61, 2018
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6CED
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![BU of 6ced by Molmil](/molmil-images/mine/6ced) | Crystal structure of fragment 3-(3-Methyl-4-oxo-3,4-dihydroquinazolin-2-yl)propanoic acid bound in the ubiquitin binding pocket of the HDAC6 zinc-finger domain | Descriptor: | 3-(3-methyl-4-oxo-3,4-dihydroquinazolin-2-yl)propanoic acid, Histone deacetylase 6, UNKNOWN ATOM OR ION, ... | Authors: | Harding, R.J, Halabelian, L, Ferreira de Freitas, R, Franzoni, I, Ravichandran, M, Lautens, M, Santhakumar, V, Schapira, M, Bountra, C, Edwards, A.M, Arrowsmith, C.M, Structural Genomics Consortium (SGC) | Deposit date: | 2018-02-11 | Release date: | 2018-02-28 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Identification and Structure-Activity Relationship of HDAC6 Zinc-Finger Ubiquitin Binding Domain Inhibitors. J. Med. Chem., 61, 2018
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6RP5
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![BU of 6rp5 by Molmil](/molmil-images/mine/6rp5) | Crystal structure of monocarboxylated hemoglobin from the sub-Antarctic fish Eleginops maclovinus | Descriptor: | CARBON MONOXIDE, DITHIONITE, Hemoglobin subunit alpha 1, ... | Authors: | Balasco, N, Vitagliano, L, Merlino, A, Verde, C, Mazzarella, L, Vergara, A. | Deposit date: | 2019-05-13 | Release date: | 2019-12-25 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | The unique structural features of carbonmonoxy hemoglobin from the sub-Antarctic fish Eleginops maclovinus. Sci Rep, 9, 2019
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6H1Y
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![BU of 6h1y by Molmil](/molmil-images/mine/6h1y) | CRYSTAL STRUCTURE OF A CHIMERIC VARIANT OF THIOREDOXIN FROM ESCHERICHIA COLI | Descriptor: | Thioredoxin 1,Thioredoxin (TrxA-1),Thioredoxin 1 | Authors: | Ruggiero, A, Smaldone, G, Esposito, L, Balasco, N, Vitagliano, L. | Deposit date: | 2018-07-12 | Release date: | 2019-02-06 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.99 Å) | Cite: | Loop size optimization induces a strong thermal stabilization of the thioredoxin fold. Febs J., 286, 2019
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6QMN
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![BU of 6qmn by Molmil](/molmil-images/mine/6qmn) | Crystal structure of a Ribonuclease A-Onconase chimera | Descriptor: | PHOSPHATE ION, Ribonuclease pancreatic | Authors: | Esposito, L, Vitagliano, L, Ruggiero, A, Picone, D, Leone, S, Donnarumma, F. | Deposit date: | 2019-02-07 | Release date: | 2019-05-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Structure, stability and aggregation propensity of a Ribonuclease A-Onconase chimera. Int.J.Biol.Macromol., 133, 2019
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6GGV
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![BU of 6ggv by Molmil](/molmil-images/mine/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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8V1F
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![BU of 8v1f by Molmil](/molmil-images/mine/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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8G5E
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![BU of 8g5e by Molmil](/molmil-images/mine/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
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![BU of 8gcy by Molmil](/molmil-images/mine/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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6Y16
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![BU of 6y16 by Molmil](/molmil-images/mine/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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2H8D
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![BU of 2h8d by Molmil](/molmil-images/mine/2h8d) | Crystal structure of deoxy hemoglobin from Trematomus bernacchii at pH 8.4 | Descriptor: | Hemoglobin alpha subunit, Hemoglobin beta subunit, POTASSIUM ION, ... | 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 (1.78 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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2H8F
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![BU of 2h8f by Molmil](/molmil-images/mine/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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6GPD
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![BU of 6gpd by Molmil](/molmil-images/mine/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
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![BU of 6ggp by Molmil](/molmil-images/mine/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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6GPM
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![BU of 6gpm by Molmil](/molmil-images/mine/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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6GPC
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![BU of 6gpc by Molmil](/molmil-images/mine/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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