1T1N
| CRYSTAL STRUCTURE OF CARBONMONOXY HEMOGLOBIN | Descriptor: | CARBON MONOXIDE, PROTEIN (HEMOGLOBIN), PROTOPORPHYRIN IX CONTAINING FE | Authors: | Mazzarella, L, Vitagliano, L, Savino, C, Zagari, A. | Deposit date: | 1999-03-05 | Release date: | 1999-04-29 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of Trematomus newnesi haemoglobin re-opens the root effect question. J.Mol.Biol., 287, 1999
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3TCO
| Crystallographic and spectroscopic characterization of Sulfolobus solfataricus TrxA1 provide insights into the determinants of thioredoxin fold stability | Descriptor: | 1,2-ETHANEDIOL, Thioredoxin (TrxA-1) | Authors: | Esposito, L, Ruggiero, A, Masullo, M, Ruocco, M.R, Lamberti, A, Arcari, P, Zagari, A, Vitagliano, L. | Deposit date: | 2011-08-09 | Release date: | 2011-11-30 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystallographic and spectroscopic characterizations of Sulfolobus solfataricus TrxA1 provide insights into the determinants of thioredoxin fold stability. J.Struct.Biol., 177, 2012
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4ODC
| Crystal structure of Trematomus bernacchii hemoglobin in a partially cyanided state | Descriptor: | CYANIDE ION, GLYCEROL, Hemoglobin subunit alpha, ... | Authors: | Mazzarella, L, Merlino, A, Vitagliano, L, Vergara, A. | Deposit date: | 2014-01-10 | Release date: | 2014-12-24 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Structural modifications induced by the switch from an endogenous bis-histidyl to an exogenous cyanomet hexa-coordination in a tetrameric haemoglobin RSC ADV, 4, 2014
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7STY
| Crystal structure of human CORO1C | Descriptor: | Coronin-1C | Authors: | Zeng, H, Dong, A, Hutchinson, A, Seitova, A, Loppnau, P, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | Deposit date: | 2021-11-15 | Release date: | 2021-12-01 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of human CORO1C To Be Published
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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
| 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
| 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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7U9I
| Co-crystal structure of human CARM1 in complex with MT556 inhibitor | Descriptor: | 7-[5-S-(4-{[(4-ethylpyridin-3-yl)methyl]amino}butyl)-5-thio-beta-D-ribofuranosyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine, Histone-arginine methyltransferase CARM1, UNKNOWN ATOM OR ION | Authors: | Zeng, H, Perveen, S, Dong, A, Hutchinson, A, Seitova, A, Gibson, E, Hajian, T, Li, Y, Gao, Y.D, Schneider, S, Siliphaivanh, P, Sloman, D, Nicholson, B, Fischer, C, Hicks, J, Vedadi, M, Brown, P.J, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | Deposit date: | 2022-03-10 | Release date: | 2023-01-18 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Co-crystal structure of human CARM1 in complex with MT556 inhibitor To Be Published
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7UW7
| Crystal structure of the Human TRIP12 WWE domain (isoform 2) in complex with ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, 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: | 2022-05-02 | Release date: | 2022-06-08 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.17 Å) | Cite: | Crystal structure of the Human TRIP12 WWE domain (isoform 2) in complex with ADP To Be Published
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2LXY
| NMR structure of 2-MERCAPTOPHENOL-ALPHA3C | Descriptor: | 2-MERCAPTOPHENOL, 2-mercaptophenol-alpha3C | Authors: | Tommos, C, Valentine, K.G, Martinez-Rivera, M.C, Liang, L, Moorman, V.R. | Deposit date: | 2012-09-06 | Release date: | 2013-02-27 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Reversible phenol oxidation and reduction in the structurally well-defined 2-Mercaptophenol-alpha(3)C protein. Biochemistry, 52, 2013
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4J5C
| Human Cyclophilin D Complexed with an Inhibitor | Descriptor: | 1-(4-aminobenzyl)-3-[(2S)-4-(methylsulfanyl)-1-{(2R)-2-[2-(methylsulfanyl)phenyl]pyrrolidin-1-yl}-1-oxobutan-2-yl]urea, Peptidyl-prolyl cis-trans isomerase F, mitochondrial | Authors: | Gelin, M, Colliandre, L, Bessin, Y, Guichou, J.F. | Deposit date: | 2013-02-08 | Release date: | 2014-02-19 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.03 Å) | Cite: | Fragment-based discovery of a new family of non-peptidic small-molecule cyclophilin inhibitors with potent antiviral activities. Nat Commun, 7, 2016
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4J5E
| Human Cyclophilin D Complexed with an Inhibitor | Descriptor: | 1-(4-aminobenzyl)-3-{2-[(2R)-2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl}urea, Peptidyl-prolyl cis-trans isomerase F, mitochondrial | Authors: | Gelin, M, Colliandre, L, Bessin, Y, Guichou, J.F. | Deposit date: | 2013-02-08 | Release date: | 2014-02-19 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (0.99 Å) | Cite: | Fragment-based discovery of a new family of non-peptidic small-molecule cyclophilin inhibitors with potent antiviral activities. Nat Commun, 7, 2016
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4J5B
| Human Cyclophilin D Complexed with an Inhibitor | Descriptor: | 1-(4-aminobenzyl)-3-(2-{(2R)-2-[2-(methylsulfanyl)phenyl]pyrrolidin-1-yl}-2-oxoethyl)urea, Peptidyl-prolyl cis-trans isomerase F, mitochondrial | Authors: | Gelin, M, Colliandre, L, Bessin, Y, Guichou, J.F. | Deposit date: | 2013-02-08 | Release date: | 2014-02-19 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Fragment-based discovery of a new family of non-peptidic small-molecule cyclophilin inhibitors with potent antiviral activities. Nat Commun, 7, 2016
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4J5D
| Human Cyclophilin D Complexed with an Inhibitor | Descriptor: | 1-(4-aminobenzyl)-3-{2-[(2R)-2-(2-bromophenyl)pyrrolidin-1-yl]-2-oxoethyl}urea, Peptidyl-prolyl cis-trans isomerase F, mitochondrial | Authors: | Gelin, M, Colliandre, L, Bessin, Y, Guichou, J.F. | Deposit date: | 2013-02-08 | Release date: | 2014-02-19 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.32 Å) | Cite: | Fragment-based discovery of a new family of non-peptidic small-molecule cyclophilin inhibitors with potent antiviral activities. Nat Commun, 7, 2016
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4J59
| Human Cyclophilin D Complexed with an Inhibitor | Descriptor: | 1-(4-aminobenzyl)-3-{2-[(2R)-2-(naphthalen-1-yl)pyrrolidin-1-yl]-2-oxoethyl}urea, Peptidyl-prolyl cis-trans isomerase F, mitochondrial | Authors: | Gelin, M, Colliandre, L, Bessin, Y, Guichou, J.F. | Deposit date: | 2013-02-08 | Release date: | 2014-02-19 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Fragment-based discovery of a new family of non-peptidic small-molecule cyclophilin inhibitors with potent antiviral activities. Nat Commun, 7, 2016
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3QYU
| Crystal structure of human cyclophilin D at 1.54 A resolution at room temperature | Descriptor: | Peptidyl-prolyl cis-trans isomerase F | Authors: | Colliandre, L, Gelin, M, Labesse, G, Guichou, J.-F. | Deposit date: | 2011-03-04 | Release date: | 2011-08-24 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | In-plate protein crystallization, in situ ligand soaking and X-ray diffraction. Acta Crystallogr.,Sect.D, 67, 2011
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5AEQ
| Neuronal calcium sensor (NCS-1)from Rattus norvegicus | Descriptor: | CALCIUM ION, NEURONAL CALCIUM SENSOR 1, SODIUM ION | Authors: | Saleem, M, Karuppiah, V, Pandalaneni, S, Burgoyne, R, Derrick, J.P, Lian, L.Y. | Deposit date: | 2015-01-08 | Release date: | 2015-02-18 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Neuronal Calcium Sensor-1 Binds the D2 Dopamine Receptor and G-Protein-Coupled Receptor Kinase 1 (Grk1) Peptides Using Different Modes of Interactions. J.Biol.Chem., 290, 2015
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5AER
| Neuronal calcium sensor-1 (NCS-1)from Rattus norvegicus complex with D2 dopamine receptor peptide from Homo sapiens | Descriptor: | CALCIUM ION, D(2) DOPAMINE RECEPTOR, NEURONAL CALCIUM SENSOR 1, ... | Authors: | Saleem, M, Karuppiah, V, Pandalaneni, S, Burgoyne, R, Derrick, J.P, Lian, L.Y. | Deposit date: | 2015-01-08 | Release date: | 2015-02-18 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Neuronal Calcium Sensor-1 Binds the D2 Dopamine Receptor and G-Protein-Coupled Receptor Kinase 1 (Grk1) Peptides Using Different Modes of Interactions. J.Biol.Chem., 290, 2015
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1FT0
| CRYSTAL STRUCTURE OF TRUNCATED HUMAN RHOGDI K113A MUTANT | Descriptor: | RHO GDP-DISSOCIATION INHIBITOR 1 | Authors: | Longenecker, K.L, Garrard, S.M, Sheffield, P.J, Derewenda, Z.S. | Deposit date: | 2000-09-11 | Release date: | 2001-05-02 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Protein crystallization by rational mutagenesis of surface residues: Lys to Ala mutations promote crystallization of RhoGDI. Acta Crystallogr.,Sect.D, 57, 2001
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1FT3
| CRYSTAL STRUCTURE OF TRUNCATED RHOGDI K141A MUTANT | Descriptor: | RHO GDP-DISSOCIATION INHIBITOR 1 | Authors: | Longenecker, K.L, Garrard, S.M, Sheffield, P.J, Derewenda, Z.S. | Deposit date: | 2000-09-11 | Release date: | 2001-05-02 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Protein crystallization by rational mutagenesis of surface residues: Lys to Ala mutations promote crystallization of RhoGDI. Acta Crystallogr.,Sect.D, 57, 2001
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1FST
| CRYSTAL STRUCTURE OF TRUNCATED HUMAN RHOGDI TRIPLE MUTANT | Descriptor: | RHO GDP-DISSOCIATION INHIBITOR 1 | Authors: | Longenecker, K.L, Garrard, S.M, Sheffield, P.J, Derewenda, Z.S. | Deposit date: | 2000-09-11 | Release date: | 2001-05-02 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Protein crystallization by rational mutagenesis of surface residues: Lys to Ala mutations promote crystallization of RhoGDI. Acta Crystallogr.,Sect.D, 57, 2001
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2LNT
| Solution structure of E60A mutant AGR2 | Descriptor: | Anterior gradient protein 2 homolog | Authors: | Patel, P, Clarke, C.J, Barraclough, D.L, Rudland, P.S, Barraclough, R, Lian, L. | Deposit date: | 2012-01-04 | Release date: | 2013-01-09 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Metastasis-promoting anterior gradient 2 protein has a dimeric thioredoxin fold structure and a role in cell adhesion. J.Mol.Biol., 425, 2013
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2LNS
| Solution structure of AGR2 residues 41-175 | Descriptor: | Anterior gradient protein 2 homolog | Authors: | Patel, P, Clarke, C.J, Barraclough, D.L, Rudland, P.S, Barraclough, R, Lian, L. | Deposit date: | 2012-01-04 | Release date: | 2013-01-09 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Metastasis-promoting anterior gradient 2 protein has a dimeric thioredoxin fold structure and a role in cell adhesion. J.Mol.Biol., 425, 2013
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1N3Z
| Crystal structure of the [S-carboxyamidomethyl-Cys31, S-carboxyamidomethyl-Cys32] monomeric derivative of the bovine seminal ribonuclease in the liganded state | Descriptor: | 3'-URIDINEMONOPHOSPHATE, ADENOSINE, Ribonuclease, ... | Authors: | Sica, F, Di Fiore, A, Zagari, A, Mazzarella, L. | Deposit date: | 2002-10-30 | Release date: | 2003-08-26 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | The unswapped chain of bovine seminal ribonuclease: Crystal structure of the free and liganded monomeric derivative Proteins, 52, 2003
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2LV7
| Solution structure of Ca2+-bound CaBP7 N-terminal doman | Descriptor: | CALCIUM ION, Calcium-binding protein 7 | Authors: | Mccue, H.V, Patel, P, Herbert, A.P, Lian, L, Burgoyne, R.D, Haynes, L.P. | Deposit date: | 2012-06-29 | Release date: | 2012-09-26 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Solution NMR Structure of the Ca2+-bound N-terminal Domain of CaBP7: A REGULATOR OF GOLGI TRAFFICKING. J.Biol.Chem., 287, 2012
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