4FOR
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![BU of 4for by Molmil](/molmil-images/mine/4for) | Crystal Structure of C-lobe of Bovine lactoferrin Complexed with Flurbiprofen at 1.58 A Resolution | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, C-terminal peptide from Lactotransferrin, ... | Authors: | Shukla, P.K, Gautam, L, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. | Deposit date: | 2012-06-21 | Release date: | 2012-07-04 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Crystal Structure of C-lobe of Bovine lactoferrin Complexed with Flurbiprofen at 1.58 A Resolution To be Published
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3UQV
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![BU of 3uqv by Molmil](/molmil-images/mine/3uqv) | Bovine trypsin variant X(triplePhe227) in complex with small molecule inhibitor | Descriptor: | 3-(3-carbamimidoylphenyl)-N-(2'-sulfamoylbiphenyl-4-yl)-1,2-oxazole-4-carboxamide, CALCIUM ION, Cationic trypsin, ... | Authors: | Tziridis, A, Neumann, P, Kolenko, P, Stubbs, M.T. | Deposit date: | 2011-11-21 | Release date: | 2012-11-21 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Correlating structure and ligand affinity in drug discovery: a cautionary tale involving second shell residues. Biol.Chem., 395, 2014
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1URF
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![BU of 1urf by Molmil](/molmil-images/mine/1urf) | HR1b domain from PRK1 | Descriptor: | PROTEIN KINASE C-LIKE 1 | Authors: | Owen, D, Lowe, P.N, Nietlispach, D, Brosnan, C.E, Chirgadze, D.Y, Parker, P.J, Blundell, T.L, Mott, H.R. | Deposit date: | 2003-10-29 | Release date: | 2003-11-06 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Molecular Dissection of the Interaction between the Small G Proteins Rac1 and Rhoa and Protein Kinase C-Related Kinase 1 (Prk1) J.Biol.Chem., 278, 2003
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5D0K
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![BU of 5d0k by Molmil](/molmil-images/mine/5d0k) | Structure of UbE2D2:RNF165:Ub complex | Descriptor: | Polyubiquitin-B, RING finger protein 165, Ubiquitin-conjugating enzyme E2 D2, ... | Authors: | Wright, J.D, Day, C.L, Mace, P.D. | Deposit date: | 2015-08-03 | Release date: | 2015-12-09 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Secondary ubiquitin-RING docking enhances Arkadia and Ark2C E3 ligase activity. Nat.Struct.Mol.Biol., 23, 2016
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1JF2
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![BU of 1jf2 by Molmil](/molmil-images/mine/1jf2) | Crystal Structure of W92F obelin mutant from Obelia longissima at 1.72 Angstrom resolution | Descriptor: | C2-HYDROPEROXY-COELENTERAZINE, obelin | Authors: | Liu, Z.-J, Vysotski, E.S, Deng, L, Markova, S.V, Lee, J, Rose, J.P, Wang, B.-C. | Deposit date: | 2001-06-19 | Release date: | 2001-07-11 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Violet bioluminescence and fast kinetics from W92F obelin: structure-based proposals for the bioluminescence triggering and the identification of the emitting species. Biochemistry, 42, 2003
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4PS7
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![BU of 4ps7 by Molmil](/molmil-images/mine/4ps7) | |
3STR
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![BU of 3str by Molmil](/molmil-images/mine/3str) | Strep Peptide Deformylase with a time dependent thiazolidine hydroxamic acid | Descriptor: | (4R)-3-(4-[4-(2-chlorophenyl)piperazin-1-yl]-6-{[2-methyl-6-(methylcarbamoyl)phenyl]amino}-1,3,5-triazin-2-yl)-N-[2-(hydroxyamino)-2-oxoethyl]-1,3-thiazolidine-4-carboxamide, GLYCEROL, NICKEL (II) ION, ... | Authors: | Campobasso, N, Ward, P. | Deposit date: | 2011-07-11 | Release date: | 2011-07-27 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Understanding the origins of time-dependent inhibition by polypeptide deformylase inhibitors. Biochemistry, 50, 2011
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4DUU
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![BU of 4duu by Molmil](/molmil-images/mine/4duu) | |
6F2Q
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![BU of 6f2q by Molmil](/molmil-images/mine/6f2q) | Neutron crystal structure of perdeuterated galectin-3C in the ligand-free form | Descriptor: | Galectin-3 | Authors: | Manzoni, F, Blakeley, M.P, Oksanen, E, Logan, D.T. | Deposit date: | 2017-11-27 | Release date: | 2018-05-02 | Last modified: | 2024-05-01 | Method: | NEUTRON DIFFRACTION (1.03 Å), X-RAY DIFFRACTION | Cite: | Elucidation of Hydrogen Bonding Patterns in Ligand-Free, Lactose- and Glycerol-Bound Galectin-3C by Neutron Crystallography to Guide Drug Design. J. Med. Chem., 61, 2018
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1OBN
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![BU of 1obn by Molmil](/molmil-images/mine/1obn) | ISOPENICILLIN N SYNTHASE aminoadipoyl-cysteinyl-aminobutyrate-FE-NO COMPLEX | Descriptor: | DELTA-(L-ALPHA-AMINOADIPOYL)-L-CYSTEINYL-D-VINYLGLYCINE, FE (II) ION, HYDROXYAMINE, ... | Authors: | Long, A.J, Clifton, I.J, Roach, P.L, Baldwin, J.E, Schofield, C.J, Rutledge, P.J. | Deposit date: | 2003-01-31 | Release date: | 2004-02-02 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Structural Studies on the Reaction of Isopenicillin N Synthase with the Substrate Analogue Delta-(L-Alpha-Aminoadipoyl)-L-Cysteinyl-D-Alpha-Aminobutyrate. Biochem.J., 372, 2003
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4DAV
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![BU of 4dav by Molmil](/molmil-images/mine/4dav) | The structure of Pyrococcus Furiosus SfsA in complex with DNA | Descriptor: | 5'-D(*CP*GP*CP*TP*GP*TP*CP*TP*CP*GP*CP*T)-3', Sugar fermentation stimulation protein homolog | Authors: | Baker, P.J, Allen, F.L. | Deposit date: | 2012-01-13 | Release date: | 2014-10-01 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The structure of SfsA and its DNA complex; A DNA/RNA nuclease with a novel domain combination To be Published
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1OEZ
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![BU of 1oez by Molmil](/molmil-images/mine/1oez) | Zn His46Arg mutant of Human Cu, Zn Superoxide Dismutase | Descriptor: | SULFATE ION, SUPEROXIDE DISMUTASE [CU-ZN], ZINC ION | Authors: | Strange, R.W, Antonyuk, S, Hough, M.A, Doucette, P, Rodriguez, J, Elam, J.S, Hart, P.J, Hayward, L.J, Valentine, J.S, Hasnain, S.S. | Deposit date: | 2003-04-02 | Release date: | 2003-05-29 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Amyloid-Like Filaments and Water-Filled Nanotubes Formed by Sod1 Mutant Proteins Linked to Familial Als Nat.Struct.Biol., 10, 2003
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4KW7
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![BU of 4kw7 by Molmil](/molmil-images/mine/4kw7) | The structure of an As(III) S-adenosylmethionine methyltransferase with Phenylarsine oxide(PAO) | Descriptor: | Arsenic methyltransferase, CALCIUM ION, Phenylarsine oxide | Authors: | Packianathan, C, Marapakala, K, Ajees, A.A, Kandavelu, P, Rosen, B.P. | Deposit date: | 2013-05-23 | Release date: | 2014-05-28 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | A disulfide-bond cascade mechanism for arsenic(III) S-adenosylmethionine methyltransferase. Acta Crystallogr.,Sect.D, 71, 2015
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3G2T
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![BU of 3g2t by Molmil](/molmil-images/mine/3g2t) | VHS Domain of human GGA1 complexed with SorLA C-terminal Phosphopeptide | Descriptor: | ADP-ribosylation factor-binding protein GGA1, IODIDE ION, Phosphorylated C-terminal fragment of Sortilin-related receptor | Authors: | Cramer, J.F, Behrens, M.A, Gustafsen, C, Oliveira, C.L.P, Pedersen, J.S, Madsen, P, Petersen, C.M, Thirup, S.S. | Deposit date: | 2009-02-01 | Release date: | 2009-12-15 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | GGA autoinhibition revisited Traffic, 11, 2010
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3UXE
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![BU of 3uxe by Molmil](/molmil-images/mine/3uxe) | Design, Synthesis and Biological Evaluation of Potent Quinoline and Pyrroloquinoline Ammosamide Analogues as Inhibitors for Quinone Reductase 2 | Descriptor: | 8-amino-7-chloro-1-methyl-6-(methylideneamino)-2-oxo-1,2-dihydropyrrolo[4,3,2-de]quinoline-4-carboxamide, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | Authors: | Reddy, N.P, Jensen, K.C, Mesecar, A.D, Fanwick, P.E, Cushman, M. | Deposit date: | 2011-12-05 | Release date: | 2012-01-18 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Design, synthesis, and biological evaluation of potent quinoline and pyrroloquinoline ammosamide analogues as inhibitors of quinone reductase 2. J.Med.Chem., 55, 2012
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3NR8
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![BU of 3nr8 by Molmil](/molmil-images/mine/3nr8) | Crystal structure of human SHIP2 | Descriptor: | CHLORIDE ION, Phosphatidylinositol-3,4,5-trisphosphate 5-phosphatase 2 | Authors: | Tresaugues, L, Welin, M, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Karlberg, T, Kol, S, Kotenyova, T, Kouznetsova, E, Moche, M, Nyman, T, Persson, C, Schuler, H, Schutz, P, Siponen, M.I, Thorsell, A.G, van der Berg, S, Wahlberg, E, Weigelt, J, Nordlund, P, Structural Genomics Consortium (SGC) | Deposit date: | 2010-06-30 | Release date: | 2010-08-25 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural basis for phosphoinositide substrate recognition, catalysis, and membrane interactions in human inositol polyphosphate 5-phosphatases Structure, 22, 2014
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3JQJ
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![BU of 3jqj by Molmil](/molmil-images/mine/3jqj) | Crystal structure of the molybdenum cofactor biosynthesis protein C (TTHA1789) from Thermus Theromophilus HB8 | Descriptor: | GLYCEROL, Molybdenum cofactor biosynthesis protein C, PHOSPHATE ION, ... | Authors: | Kanaujia, S.P, Jeyakanthan, J, Nakagawa, N, Sekar, K, Baba, S, Ebihara, A, Kuramitsu, S, Shinkai, A, Shiro, Y, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2009-09-07 | Release date: | 2010-06-30 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structures of apo and GTP-bound molybdenum cofactor biosynthesis protein MoaC from Thermus thermophilus HB8 Acta Crystallogr.,Sect.D, 66, 2010
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2BDI
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![BU of 2bdi by Molmil](/molmil-images/mine/2bdi) | Human Kallikrein 4 complex with cobalt and p-aminobenzamidine | Descriptor: | COBALT (II) ION, Kallikrein-4, P-AMINO BENZAMIDINE | Authors: | Debela, M, Bode, W, Goettig, P, Structural Proteomics in Europe (SPINE) | Deposit date: | 2005-10-20 | Release date: | 2006-10-03 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Crystal structures of human tissue kallikrein 4: activity modulation by a specific zinc binding site. J.Mol.Biol., 362, 2006
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2JD8
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![BU of 2jd8 by Molmil](/molmil-images/mine/2jd8) | Crystal Structure of the Zn-soaked Ferritin from the Hyperthermophilic Archaeal Anaerobe Pyrococcus furiosus | Descriptor: | FE (III) ION, FERRITIN HOMOLOG, SULFATE ION, ... | Authors: | Tatur, J, Hagen, W.R, Matias, P.M. | Deposit date: | 2007-01-05 | Release date: | 2007-02-27 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal Structure of the Ferritin from the Hyperthermophilic Archaeal Anaerobe Pyrococcus Furiosus J.Biol.Inorg.Chem., 12, 2007
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6FD5
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![BU of 6fd5 by Molmil](/molmil-images/mine/6fd5) | Crystal Structure of Human APRT-Tyr105Phe variant in complex with Adenine, PRPP and Mg2+, 14 days post crystallization (with AMP and PPi products partially generated) | Descriptor: | 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, ADENOSINE MONOPHOSPHATE, Adenine phosphoribosyltransferase, ... | Authors: | Nioche, P, Huyet, J, Ozeir, M. | Deposit date: | 2017-12-21 | Release date: | 2018-08-15 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Structural Insights into the Forward and Reverse Enzymatic Reactions in Human Adenine Phosphoribosyltransferase. Cell Chem Biol, 25, 2018
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4L0W
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![BU of 4l0w by Molmil](/molmil-images/mine/4l0w) | |
4P94
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![BU of 4p94 by Molmil](/molmil-images/mine/4p94) | The crystal structure of the soluble domain of Sulfolobus acidocaldarius FlaF (residues 35-164) | Descriptor: | Conserved flagellar protein F, SODIUM ION | Authors: | Tsai, C.-L, Arvai, A.S, Ishida, J.P, Tainer, J.A. | Deposit date: | 2014-04-02 | Release date: | 2015-04-22 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.651 Å) | Cite: | FlaF Is a beta-Sandwich Protein that Anchors the Archaellum in the Archaeal Cell Envelope by Binding the S-Layer Protein. Structure, 23, 2015
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8D30
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![BU of 8d30 by Molmil](/molmil-images/mine/8d30) | Crystal structure of the human COPB2 WD-domains | Descriptor: | 1,2-ETHANEDIOL, Coatomer subunit beta' | 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: | 2022-05-31 | Release date: | 2022-11-16 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structure of the human COPB2 WD-domains To Be Published
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7W9G
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![BU of 7w9g by Molmil](/molmil-images/mine/7w9g) | Complex structure of Mpro with ebselen-derivative inhibitor | Descriptor: | 3C-like proteinase nsp5, SELENIUM ATOM | Authors: | Sahoo, P, Kumar, A. | Deposit date: | 2021-12-09 | Release date: | 2022-12-14 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Detailed Insights into the Inhibitory Mechanism of New Ebselen Derivatives against Main Protease (M pro ) of Severe Acute Respiratory Syndrome Coronavirus-2 (SARS-CoV-2). Acs Pharmacol Transl Sci, 6, 2023
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5AF5
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![BU of 5af5 by Molmil](/molmil-images/mine/5af5) | Structure of Lys33-linked triUb S.G. P 212121 | Descriptor: | POLYUBIQUITIN-C | Authors: | Michel, M.A, Elliott, P.R, Swatek, K.N, Simicek, M, Pruneda, J.N, Wagstaff, J.L, Freund, S.M.V, Komander, D. | Deposit date: | 2015-01-19 | Release date: | 2015-03-25 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Assembly and Specific Recognition of K29- and K33-Linked Polyubiquitin. Mol.Cell, 58, 2015
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