4J5A
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![BU of 4j5a by Molmil](/molmil-images/mine/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
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![BU of 4j58 by Molmil](/molmil-images/mine/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
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![BU of 3rdc by Molmil](/molmil-images/mine/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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![BU of 2mho by Molmil](/molmil-images/mine/2mho) | |
2LB6
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![BU of 2lb6 by Molmil](/molmil-images/mine/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
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![BU of 2l9c by Molmil](/molmil-images/mine/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
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![BU of 1r5d by Molmil](/molmil-images/mine/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
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![BU of 4ax4 by Molmil](/molmil-images/mine/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
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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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7MEY
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![BU of 7mey by Molmil](/molmil-images/mine/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
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![BU of 7mex by Molmil](/molmil-images/mine/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
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![BU of 2mi7 by Molmil](/molmil-images/mine/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
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![BU of 1ef7 by Molmil](/molmil-images/mine/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
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![BU of 2lxy by Molmil](/molmil-images/mine/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
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![BU of 8t55 by Molmil](/molmil-images/mine/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
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![BU of 8tbx by Molmil](/molmil-images/mine/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
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![BU of 8t5i by Molmil](/molmil-images/mine/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
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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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3NG6
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![BU of 3ng6 by Molmil](/molmil-images/mine/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
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![BU of 3nfe by Molmil](/molmil-images/mine/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
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![BU of 7rbq by Molmil](/molmil-images/mine/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
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![BU of 1la6 by Molmil](/molmil-images/mine/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
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![BU of 9bbi by Molmil](/molmil-images/mine/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
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![BU of 9c61 by Molmil](/molmil-images/mine/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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