6MEK
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7KVK
| Human CYP3A4 bound to an inhibitor | Descriptor: | 1,2-ETHANEDIOL, Cytochrome P450 3A4, GLYCEROL, ... | Authors: | Sevrioukova, I. | Deposit date: | 2020-11-28 | Release date: | 2021-01-20 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Rational Design of CYP3A4 Inhibitors: A One-Atom Linker Elongation in Ritonavir-Like Compounds Leads to a Marked Improvement in the Binding Strength. Int J Mol Sci, 22, 2021
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7Q4V
| Electron bifurcating hydrogenase - HydABC from A. woodii | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, IRON/SULFUR CLUSTER, ... | Authors: | Katsyv, A, Kumar, A, Saura, P, Poeverlein, M.C, Freibert, S.A, Stripp, S, Jain, S, Gamiz-Hernandez, A.P, Kaila, V.R.I, Mueller, V, Schuller, J.M. | Deposit date: | 2021-11-02 | Release date: | 2023-02-22 | Last modified: | 2023-03-29 | Method: | ELECTRON MICROSCOPY (4.7 Å) | Cite: | Molecular Basis of the Electron Bifurcation Mechanism in the [FeFe]-Hydrogenase Complex HydABC. J.Am.Chem.Soc., 145, 2023
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6MDM
| The 20S supercomplex engaging the SNAP-25 N-terminus (class 1) | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Alpha-soluble NSF attachment protein, ... | Authors: | White, K.I, Zhao, M, Brunger, A.T. | Deposit date: | 2018-09-04 | Release date: | 2018-09-19 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (4.4 Å) | Cite: | Structural principles of SNARE complex recognition by the AAA+ protein NSF. Elife, 7, 2018
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7Q4W
| CryoEM structure of electron bifurcating Fe-Fe hydrogenase HydABC complex A. woodii in the oxidised state | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, IRON/SULFUR CLUSTER, ... | Authors: | Kumar, A, Saura, P, Poeverlein, M.C, Gamiz-Hernandez, A.P, Kaila, V.R.I, Mueller, V, Schuller, J.M. | Deposit date: | 2021-11-02 | Release date: | 2023-02-15 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (3.78 Å) | Cite: | Molecular Basis of the Electron Bifurcation Mechanism in the [FeFe]-Hydrogenase Complex HydABC. J.Am.Chem.Soc., 145, 2023
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6SXP
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2FTK
| berylloflouride Spo0F complex with Spo0B | Descriptor: | MAGNESIUM ION, Sporulation initiation phosphotransferase B, Sporulation initiation phosphotransferase F | Authors: | Varughese, K.I. | Deposit date: | 2006-01-24 | Release date: | 2006-07-18 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | The Crystal Structure of Beryllofluoride Spo0F in Complex with the Phosphotransferase Spo0B Represents a Phosphotransfer Pretransition State. J.Bacteriol., 188, 2006
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1SB6
| Solution structure of a cyanobacterial copper metallochaperone, ScAtx1 | Descriptor: | copper chaperone ScAtx1 | Authors: | Banci, L, Bertini, I, Ciofi-Baffoni, S, Su, X.C, Borrelly, G.P, Robinson, N.J, Structural Proteomics in Europe (SPINE) | Deposit date: | 2004-02-10 | Release date: | 2004-04-27 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Solution Structures of a Cyanobacterial Metallochaperone: INSIGHT INTO AN ATYPICAL COPPER-BINDING MOTIF. J.Biol.Chem., 279, 2004
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6VPR
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1I7W
| BETA-CATENIN/PHOSPHORYLATED E-CADHERIN COMPLEX | Descriptor: | BETA-CATENIN, CHLORIDE ION, EPITHELIAL-CADHERIN, ... | Authors: | Huber, A.H, Weis, W.I. | Deposit date: | 2001-03-10 | Release date: | 2001-05-09 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The structure of the beta-catenin/E-cadherin complex and the molecular basis of diverse ligand recognition by beta-catenin. Cell(Cambridge,Mass.), 105, 2001
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7PCJ
| X-ray structure of CypA-C52AK125C/CsA/aromatic foldamer complex | Descriptor: | Aromatic foldamer, Cyclosporin A, Peptidyl-prolyl cis-trans isomerase A | Authors: | Vallade, M, Langlois d'Estaintot, B, Fischer, L, Buratto, J, Savko, M, Huc, I. | Deposit date: | 2021-08-03 | Release date: | 2022-07-13 | Last modified: | 2024-09-04 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | X-ray structure of a cystein mutant of Cyclophilin A tethered to an aromatic oligoamide foldamer complexed with Cyclosporin A To Be Published
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1I4K
| CRYSTAL STRUCTURE OF AN SM-LIKE PROTEIN (AF-SM1) FROM ARCHAEOGLOBUS FULGIDUS AT 2.5A RESOLUTION | Descriptor: | CITRIC ACID, PUTATIVE SNRNP SM-LIKE PROTEIN | Authors: | Toro, I, Thore, S, Mayer, C, Basquin, J, Seraphin, B, Suck, D. | Deposit date: | 2001-02-22 | Release date: | 2001-08-22 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | RNA binding in an Sm core domain: X-ray structure and functional analysis of an archaeal Sm protein complex. EMBO J., 20, 2001
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6VY1
| Cryo-EM structure of filamentous PFD from Methanocaldococcus jannaschii | Descriptor: | Prefoldin subunit alpha 2 | Authors: | Wang, F, Chen, Y.X, Ing, N.L, Hochbaum, A.I, Clark, D.S, Glover, D.J, Egelman, E.H. | Deposit date: | 2020-02-25 | Release date: | 2020-05-13 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (6 Å) | Cite: | Structural Determination of a Filamentous Chaperone to Fabricate Electronically Conductive Metalloprotein Nanowires. Acs Nano, 14, 2020
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6VOE
| HIV-1 wild type protease with GRL-019-17A, a tricyclic cyclohexane fused tetrahydrofuranofuran (CHf-THF) derivative as the P2 ligand and a aminobenzothiazole(Abt)-based P2'-ligand | Descriptor: | (1S,3aR,5S,6R,7aS)-octahydro-1,6-epoxy-2-benzofuran-5-yl {(2S,3R)-3-hydroxy-4-[(2-methylpropyl)({2-[(propan-2-yl)amino]-1,3-benzoxazol-6-yl}sulfonyl)amino]-1-phenylbutan-2-yl}carbamate, ACETATE ION, CHLORIDE ION, ... | Authors: | Wang, Y.-F, Agniswamy, J, Weber, I.T. | Deposit date: | 2020-01-30 | Release date: | 2020-05-13 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Structure-Based Design of Highly Potent HIV-1 Protease Inhibitors Containing New Tricyclic Ring P2-Ligands: Design, Synthesis, Biological, and X-ray Structural Studies. J.Med.Chem., 63, 2020
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2JCP
| The hyaluronan binding domain of murine CD44 | Descriptor: | CD44 ANTIGEN | Authors: | Banerji, S, Wright, A.J, Noble, M.E.M, Mahoney, D.J, Campbell, I.D, Day, A.J, Jackson, D.G. | Deposit date: | 2007-01-03 | Release date: | 2007-01-30 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Structures of the Cd44-Hyaluronan Complex Provide Insight Into a Fundamental Carbohydrate-Protein Interaction. Nat.Struct.Mol.Biol., 14, 2008
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2JIR
| A New Catalytic Mechanism of Periplasmic Nitrate Reductase from Desulfovibrio desulfuricans ATCC 27774 from Crystallographic and EPR Data and based on detailed analysis of the sixth ligand | Descriptor: | 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, CYANIDE ION, IRON/SULFUR CLUSTER, ... | Authors: | Najmudin, S, Gonzalez, P.J, Trincao, J, Coelho, C, Mukhopadhyay, A, Romao, C.C, Moura, I, Moura, J.J.G, Brondino, C.D, Romao, M.J. | Deposit date: | 2007-06-28 | Release date: | 2008-03-18 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Periplasmic Nitrate Reductase Revisited: A Sulfur Atom Completes the Sixth Coordination of the Catalytic Molybdenum. J.Biol.Inorg.Chem., 13, 2008
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2ATB
| Triple mutant 8D9D10V of scorpion toxin LQH-alpha-IT | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, NITRATE ION, ... | Authors: | Kahn, R, Karbat, I, Gurevitz, M, Frolow, F. | Deposit date: | 2005-08-24 | Release date: | 2006-09-05 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | X-ray structures of Lqh-alpha-IT and Lqh-alpha-IT8D9D10V mutant To be Published
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7QNQ
| Structure of the Aux2 relaxosome protein of plasmid pLS20 | Descriptor: | Auxiliary relaxosome protein, CHLORIDE ION, MAGNESIUM ION | Authors: | Boer, D.R, Crespo, I. | Deposit date: | 2021-12-22 | Release date: | 2022-03-09 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Structural and biochemical characterization of the relaxosome auxiliary proteins encoded on the Bacillus subtilis plasmid pLS20. Comput Struct Biotechnol J, 20, 2022
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8TXM
| Crystal structure of 05.GC.w13.02 Fab in complex with H1 HA from A/California/04/2009(H1N1) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GC_w13_B, ... | Authors: | Lin, T.H, Moore, N, Wilson, I.A. | Deposit date: | 2023-08-23 | Release date: | 2024-06-26 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (3.25 Å) | Cite: | Maturation of germinal center B cells after influenza virus vaccination in humans. J.Exp.Med., 221, 2024
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1SAC
| THE STRUCTURE OF PENTAMERIC HUMAN SERUM AMYLOID P COMPONENT | Descriptor: | ACETIC ACID, CALCIUM ION, SERUM AMYLOID P COMPONENT | Authors: | White, H.E, Emsley, J, O'Hara, B.P, Oliva, G, Srinivasan, N, Tickle, I.J, Blundell, T.L, Pepys, M.B, Wood, S.P. | Deposit date: | 1994-01-27 | Release date: | 1994-05-31 | Last modified: | 2019-08-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure of pentameric human serum amyloid P component. Nature, 367, 1994
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7SEA
| Crystal structure of human Fibrillarin in complex with compound 2 from cocktail soak | Descriptor: | 6-(trifluoromethyl)pyrimidin-4-amine, DIMETHYL SULFOXIDE, FORMIC ACID, ... | Authors: | Shi, Y, El-Deeb, I.M, Masic, V, Hartley-Tassell, L, Maggioni, A, von Itzstein, M, Ve, T. | Deposit date: | 2021-09-30 | Release date: | 2022-02-09 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Discovery of Cofactor Competitive Inhibitors against the Human Methyltransferase Fibrillarin. Pharmaceuticals, 15, 2021
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7SEC
| Crystal structure of human Fibrillarin in complex with compound 1a | Descriptor: | 2-[(8S)-4-oxo-2-(trifluoromethyl)-4,5-dihydropyrazolo[1,5-a]pyrazin-6-yl]acetamide, DIMETHYL SULFOXIDE, FORMIC ACID, ... | Authors: | Shi, Y, El-Deeb, I.M, Masic, V, Hartley-Tassell, L, Maggioni, A, von Itzstein, M, Ve, T. | Deposit date: | 2021-09-30 | Release date: | 2022-02-09 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery of Cofactor Competitive Inhibitors against the Human Methyltransferase Fibrillarin. Pharmaceuticals, 15, 2021
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2AMX
| Crystal structure of Plasmodium Yoelii Adenosine deaminase (PY02076) | Descriptor: | COBALT (II) ION, UNKNOWN ATOM OR ION, adenosine deaminase | Authors: | Dong, A, Vedadi, M, Wasney, G, Zhao, Y, Lew, J, Alam, Z, Melone, M, Koeieradzki, I, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Sundstrom, M, Bochkarev, A, Hui, R, Amani, M, Structural Genomics Consortium (SGC) | Deposit date: | 2005-08-10 | Release date: | 2005-09-20 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Genome-scale protein expression and structural biology of Plasmodium falciparum and related Apicomplexan organisms. Mol.Biochem.Parasitol., 151, 2007
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6VIP
| TUDOR DOMAIN OF TUMOR SUPPRESSOR P53BP1 WITH MFP-6008 | Descriptor: | TP53-binding protein 1, UNKNOWN ATOM OR ION, {4-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]phenyl}(4-ethylpiperazin-1-yl)methanone | Authors: | The, J, Hong, Z, Dong, A, Headey, S, Gunzburg, M, Doak, B, James, L.I, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Structural Genomics Consortium (SGC) | Deposit date: | 2020-01-13 | Release date: | 2020-02-12 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.36 Å) | Cite: | TUDOR DOMAIN OF TUMOR SUPPRESSOR P53BP1 WITH MFP-6008 to be published
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5UK6
| Structure of Anabaena Sensory Rhodopsin Determined by Solid State NMR Spectroscopy and DEER | Descriptor: | Bacteriorhodopsin | Authors: | Milikisiyants, S, Wang, S, Munro, R.A, Donohue, M, Ward, M.E, Brown, L.S, Smirnova, T.I, Ladizhansky, V, Smirnov, A.I. | Deposit date: | 2017-01-20 | Release date: | 2017-05-31 | Last modified: | 2020-01-08 | Method: | SOLID-STATE NMR | Cite: | Oligomeric Structure of Anabaena Sensory Rhodopsin in a Lipid Bilayer Environment by Combining Solid-State NMR and Long-range DEER Constraints. J. Mol. Biol., 429, 2017
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