4J5A
 
 | | Human Cyclophilin D Complexed with an Inhibitor | | Descriptor: | 1-(4-aminobenzyl)-3-{2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl}urea, DIMETHYL SULFOXIDE, Peptidyl-prolyl cis-trans isomerase F, ... | | 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 (1.58 Å) | | Cite: | Rationnal Design of small-molecule inhibitors of human Cyclophilins and HCV replication.
to be published
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4J58
 | | Human Cyclophilin D Complexed with an Inhibitor | | Descriptor: | 1-(4-aminobenzyl)-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]urea, PHOSPHATE ION, Peptidyl-prolyl cis-trans isomerase F, ... | | Authors: | Colliandre, L, Gelin, M, Bessin, Y, Guichou, J.F. | | Deposit date: | 2013-02-08 | | Release date: | 2014-02-19 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.28 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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3RDC
 | | Human Cyclophilin D Complexed with an Inhibitor | | Descriptor: | Peptidyl-prolyl cis-trans isomerase F, mitochondrial, ethyl N-[(4-aminobenzyl)carbamoyl]glycinate | | Authors: | Colliandre, L, Ahmed-Belkacem, H, Bessin, Y, Pawlotsky, J.M, Guichou, J.F. | | Deposit date: | 2011-04-01 | | Release date: | 2012-03-21 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Combining 'dry' co-crystallization and in situ diffraction to facilitate ligand screening by X-ray crystallography.
Acta Crystallogr.,Sect.D, 71, 2015
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2MHO
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2LB6
 | | Structure of 18694Da MUP, typical to the major urinary protein family: MUP9, MUP11, MUP15, MUP18 & MUP19 | | Descriptor: | Major urinary protein 6 | | Authors: | Phelan, M.M, Mclean, L, Beynon, R.J, Hurst, J.L, Lian, L. | | Deposit date: | 2011-03-23 | | Release date: | 2012-03-28 | | Last modified: | 2023-12-06 | | Method: | SOLUTION NMR | | Cite: | Structural insights into the specificity of darcin, an atypical major urinary protein.
To be Published
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2L9C
 | | Structural insights into the specificity of darcin, an atypical major urinary protein. | | Descriptor: | Darcin | | Authors: | Phelan, M.M, Mclean, L, Beynon, R.J, Hurst, J.L, Lian, L. | | Deposit date: | 2011-02-07 | | Release date: | 2012-02-08 | | Last modified: | 2023-12-06 | | Method: | SOLUTION NMR | | Cite: | Structural insights into the specificity of darcin, an atypical major urinary protein.
To be Published
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1R5D
 | | X-ray structure of bovine seminal ribonuclease swapping dimer from a new crystal form | | Descriptor: | Ribonuclease, seminal | | Authors: | Merlino, A, Vitagliano, L, Sica, F, Zagari, A, Mazzarella, L. | | Deposit date: | 2003-10-10 | | Release date: | 2004-04-13 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Population shift vs induced fit: The case of bovine seminal ribonuclease swapping dimer
Biopolymers, 73, 2004
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4AX4
 | | PROLYL OLIGOPEPTIDASE FROM PORCINE BRAIN, H680A MUTANT | | Descriptor: | GLYCEROL, PROLYL OLIGOPEPTIDASE | | Authors: | Szeltner, Z, Juhasz, T, Szamosi, I, Rea, D, Fulop, V, Modos, K, Juliano, L, Polgar, L. | | Deposit date: | 2012-06-08 | | Release date: | 2012-09-26 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | The Loops Facing the Active Site of Prolyl Oligopeptidase are Crucial Components in Substrate Gating and Specificity.
Biochim.Biophys.Acta, 1834, 2012
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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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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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2MI7
 | | Solution NMR structure of alpha3Y | | Descriptor: | de novo protein a3Y | | Authors: | Glover, S.D, Jorge, C, Liang, L, Valentine, K.G, Hammarstrom, L, Tommos, C. | | Deposit date: | 2013-12-10 | | Release date: | 2014-08-20 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Photochemical tyrosine oxidation in the structurally well-defined alpha 3Y protein: proton-coupled electron transfer and a long-lived tyrosine radical.
J.Am.Chem.Soc., 136, 2014
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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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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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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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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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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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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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3NFE
 | | The crystal structure of hemoglobin I from trematomus newnesi in deoxygenated state | | 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: | 2010-06-10 | | Release date: | 2010-07-07 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.01 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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1K6F
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7RBQ
 | | Co-crystal structure of human PRMT9 in complex with MT556 inhibitor | | Descriptor: | 1,2-ETHANEDIOL, 7-[5-S-(4-{[(4-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: | 2021-07-06 | | Release date: | 2021-08-11 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Co-crystal structure of human PRMT9 in complex with MT556 inhibitor
To Be Published
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1LA6
 | | The crystal structure of Trematomus newnesi hemoglobin in a partial hemichrome state | | Descriptor: | CARBON MONOXIDE, Hemoglobin alpha-1 chain, Hemoglobin beta-1/2 chain, ... | | Authors: | Riccio, A, Vitagliano, L, di Prisco, G, Zagari, A, Mazzarella, L. | | Deposit date: | 2002-03-28 | | Release date: | 2002-07-31 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The crystal structure of a tetrameric hemoglobin in a partial hemichrome state
Proc.Natl.Acad.Sci.USA, 99, 2002
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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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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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