8PAW
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![BU of 8paw by Molmil](/molmil-images/mine/8paw) | Crystal structure of MST1 with a MAP4K1 SMOL inhibitor | Descriptor: | 1-[3,5-bis(fluoranyl)-4-[[3-(1-propan-2-ylpyrazol-3-yl)-1~{H}-pyrrolo[2,3-b]pyridin-4-yl]oxy]phenyl]-3-(2-methoxyethyl)urea, 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, ASPARTIC ACID, ... | Authors: | Friberg, A. | Deposit date: | 2023-06-08 | Release date: | 2024-06-26 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Identification and optimization of Azaindole based MAP4K1 Inhibitors and the discovery of BAY-405 To Be Published
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8PAV
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![BU of 8pav by Molmil](/molmil-images/mine/8pav) | Crystal structure of MST1 with a MAP4K1 SMOL inhibitor | Descriptor: | 1-[3,5-bis(fluoranyl)-4-[[3-(1,3-thiazol-5-yl)-1~{H}-pyrrolo[2,3-b]pyridin-4-yl]oxy]phenyl]-3-(2-methoxyethyl)urea, 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, GLYCEROL, ... | Authors: | Friberg, A. | Deposit date: | 2023-06-08 | Release date: | 2024-06-26 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Identification and optimization of Azaindole based MAP4K1 Inhibitors and the discovery of BAY-405 To Be Published
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2MV3
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![BU of 2mv3 by Molmil](/molmil-images/mine/2mv3) | The N-domain of the AAA metalloproteinase Yme1 from Saccharomyces cerevisiae | Descriptor: | Mitochondrial inner membrane i-AAA protease supercomplex subunit YME1 | Authors: | Scharfenberg, F, Serek-Heuberger, J, Martin, J, Lupas, A.N, Coles, M. | Deposit date: | 2014-09-22 | Release date: | 2015-01-28 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structure and Evolution of N-domains in AAA Metalloproteases. J.Mol.Biol., 427, 2015
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3CG8
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![BU of 3cg8 by Molmil](/molmil-images/mine/3cg8) | Laccase from Streptomyces coelicolor | Descriptor: | COPPER (II) ION, OXYGEN ATOM, TETRAETHYLENE GLYCOL, ... | Authors: | Skalova, T, Dohnalek, J, Ostergaard, L.H, Ostergaard, P.R, Kolenko, P, Duskova, J, Hasek, J. | Deposit date: | 2008-03-05 | Release date: | 2009-01-06 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.679 Å) | Cite: | The Structure of the Small Laccase from Streptomyces coelicolor Reveals a Link between Laccases and Nitrite Reductases. J.Mol.Biol., 385, 2009
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7UUG
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![BU of 7uug by Molmil](/molmil-images/mine/7uug) | SARS-CoV-2 Main Protease S144A (Mpro S144A) in Complex with ML1006a | Descriptor: | (1R,2S,5S)-N-{(2S,3R)-4-(azetidin-1-yl)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5, CHLORIDE ION | Authors: | Westberg, M, Fernandez, D, Lin, M.Z. | Deposit date: | 2022-04-28 | Release date: | 2023-10-11 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | An orally bioavailable SARS-CoV-2 main protease inhibitor exhibits improved affinity and reduced sensitivity to mutations. Sci Transl Med, 16, 2024
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7UUP
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![BU of 7uup by Molmil](/molmil-images/mine/7uup) | SARS-CoV-2 Main Protease S144A (Mpro S144A) in Complex with Nirmatrelvir (PF-07321332) | Descriptor: | (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5, CHLORIDE ION | Authors: | Westberg, M, Fernandez, D, Lin, M.Z. | Deposit date: | 2022-04-28 | Release date: | 2023-10-11 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | An orally bioavailable SARS-CoV-2 main protease inhibitor exhibits improved affinity and reduced sensitivity to mutations. Sci Transl Med, 16, 2024
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3DYD
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![BU of 3dyd by Molmil](/molmil-images/mine/3dyd) | Human Tyrosine Aminotransferase | Descriptor: | PYRIDOXAL-5'-PHOSPHATE, Tyrosine aminotransferase | Authors: | Karlberg, T, Moche, M, Andersson, J, Arrowsmith, C.H, Berglund, H, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Kotenyova, T, Lehtio, L, Nilsson, M.E, Nordlund, P, Nyman, T, Olesen, K, Persson, C, Sagemark, J, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Weigelt, J, Welin, M, Wikstrom, M, Wisniewska, M, Schuler, H, Structural Genomics Consortium (SGC) | Deposit date: | 2008-07-27 | Release date: | 2008-08-19 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Human Tyrosine Aminotransferase To be Published
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2OAW
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![BU of 2oaw by Molmil](/molmil-images/mine/2oaw) | Structure of SHH variant of "Bergerac" chimera of spectrin SH3 | Descriptor: | CHLORIDE ION, Spectrin alpha chain, brain | Authors: | Gabdoulkhakov, A.G, Gushchina, L.V, Nikulin, A.D, Nikonov, S.V, Viguera, A.R, Serrano, L, Filimonov, V.V. | Deposit date: | 2006-12-18 | Release date: | 2008-04-08 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural and thermodynamic studies of Bergerac-SH3 chimeras. Biophys.Chem., 139, 2009
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1NQL
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8AMC
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![BU of 8amc by Molmil](/molmil-images/mine/8amc) | Crystal Structure of cat allergen Fel d 4 | Descriptor: | Allergen Fel d 4, SULFATE ION | Authors: | Schooltink, L, Sagmeister, T, Gottstein, N, Pavkov-Keller, T, Keller, W. | Deposit date: | 2022-08-03 | Release date: | 2023-08-16 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Crystal Structure of cat allergen Fel d 4 To Be Published
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1QFG
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![BU of 1qfg by Molmil](/molmil-images/mine/1qfg) | E. COLI FERRIC HYDROXAMATE RECEPTOR (FHUA) | Descriptor: | 3-HYDROXY-TETRADECANOIC ACID, DECYLAMINE-N,N-DIMETHYL-N-OXIDE, DIPHOSPHATE, ... | Authors: | Ferguson, A.D, Welte, W, Hofmann, E, Lindner, B, Holst, O, Coulton, J.W, Diederichs, K. | Deposit date: | 1999-04-10 | Release date: | 2000-07-26 | Last modified: | 2022-12-21 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | A conserved structural motif for lipopolysaccharide recognition by procaryotic and eucaryotic proteins. Structure Fold.Des., 8, 2000
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1B0L
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![BU of 1b0l by Molmil](/molmil-images/mine/1b0l) | RECOMBINANT HUMAN DIFERRIC LACTOFERRIN | Descriptor: | CARBONATE ION, FE (III) ION, PROTEIN (LACTOFERRIN) | Authors: | Baker, E.N, Jameson, G.B, Sun, X. | Deposit date: | 1998-11-11 | Release date: | 1999-11-18 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure of recombinant human lactoferrin expressed in Aspergillus awamori. Acta Crystallogr.,Sect.D, 55, 1999
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3ELB
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![BU of 3elb by Molmil](/molmil-images/mine/3elb) | Human CTP: Phosphoethanolamine Cytidylyltransferase in complex with CMP | Descriptor: | CYTIDINE-5'-MONOPHOSPHATE, Ethanolamine-phosphate cytidylyltransferase, GLYCEROL | Authors: | Karlberg, T, Welin, M, Andersson, J, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Kotenyova, T, Lehtio, L, Moche, M, Nilsson, M.E, Nordlund, P, Nyman, T, Persson, C, Sagemark, J, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Weigelt, J, Wikstrom, M, Wisniewska, M, Schuler, H, Structural Genomics Consortium (SGC) | Deposit date: | 2008-09-22 | Release date: | 2008-10-21 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Human CTP:Phosphoethanolamine Cytidylyltransferase To be Published
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4EC2
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![BU of 4ec2 by Molmil](/molmil-images/mine/4ec2) | Crystal structure of trimeric frataxin from the yeast Saccharomyces cerevisiae, complexed with ferrous | Descriptor: | FE (II) ION, Frataxin homolog, mitochondrial | Authors: | Soderberg, C.A.G, Rajan, S, Gakh, O, Isaya, G, Al-Karadaghi, S. | Deposit date: | 2012-03-26 | Release date: | 2013-01-30 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3.002 Å) | Cite: | The molecular basis of iron-induced oligomerization of frataxin and the role of the ferroxidation reaction in oligomerization. J.Biol.Chem., 288, 2013
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3D8B
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![BU of 3d8b by Molmil](/molmil-images/mine/3d8b) | Crystal structure of human fidgetin-like protein 1 in complex with ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Fidgetin-like protein 1 | Authors: | Karlberg, T, Wisniewska, M, Andersson, J, Arrowsmith, C.H, Berglund, H, Busam, R.D, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Kallas, A, Kotenyova, T, Lehtio, L, Moche, M, Nilsson, M.E, Nordlund, P, Nyman, T, Olesen, K, Persson, C, Sagemark, J, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Welin, M, Wikstrom, M, Schuler, H, Structural Genomics Consortium (SGC) | Deposit date: | 2008-05-23 | Release date: | 2008-08-26 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Human fidgetin-like protein 1. To be Published
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1QA7
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![BU of 1qa7 by Molmil](/molmil-images/mine/1qa7) | CRYSTAL COMPLEX OF THE 3C PROTEINASE FROM HEPATITIS A VIRUS WITH ITS INHIBITOR AND IMPLICATIONS FOR THE POLYPROTEIN PROCESSING IN HAV | Descriptor: | DIMETHYL SULFOXIDE, GLYCEROL, HAV 3C PROTEINASE, ... | Authors: | Bergmann, E.M, Cherney, M.M, Mckendrick, J, Vederas, J.C, James, M.N.G. | Deposit date: | 1999-04-15 | Release date: | 1999-04-20 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of an inhibitor complex of the 3C proteinase from hepatitis A virus (HAV) and implications for the polyprotein processing in HAV. Virology, 265, 1999
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3BLM
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1OLQ
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![BU of 1olq by Molmil](/molmil-images/mine/1olq) | The Trichoderma reesei cel12a P201C mutant, structure at 1.7 A resolution | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ENDO-BETA-1,4-GLUCANASE | Authors: | Sandgren, M, Gualfetti, P.J, Shaw, A, Gross, L.S, Saldajeno, M, Berglund, G.I, Jones, T.A, Mitchinson, C. | Deposit date: | 2003-08-11 | Release date: | 2003-11-25 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The Humicola Grisea Cel12A Enzyme Structure at 1.2 A Resolution and the Impact of its Free Cysteine Residues on Thermal Stability Protein Sci., 12, 2003
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6Y37
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1KBL
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![BU of 1kbl by Molmil](/molmil-images/mine/1kbl) | PYRUVATE PHOSPHATE DIKINASE | Descriptor: | AMMONIUM ION, PYRUVATE PHOSPHATE DIKINASE, SULFATE ION | Authors: | Herzberg, O, Chen, C.C, Liu, S. | Deposit date: | 2001-11-06 | Release date: | 2002-01-30 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Pyruvate site of pyruvate phosphate dikinase: crystal structure of the enzyme-phosphonopyruvate complex, and mutant analysis Biochemistry, 41, 2002
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1NAA
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![BU of 1naa by Molmil](/molmil-images/mine/1naa) | Cellobiose Dehydrogenase Flavoprotein Fragment in Complex with Cellobionolactam | Descriptor: | (2R,3R,4R,5R)-4,5-dihydroxy-2-(hydroxymethyl)-6-oxopiperidin-3-yl beta-D-glucopyranoside, 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-HYDROXY-FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Hallberg, B.M, Henriksson, G, Pettersson, G, Vasella, A, Divne, C. | Deposit date: | 2002-11-27 | Release date: | 2003-01-14 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Mechanism of the reductive half-reaction in cellobiose dehydrogenase J.BIOL.CHEM., 278, 2003
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6Y35
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![BU of 6y35 by Molmil](/molmil-images/mine/6y35) | CCAAT-binding complex from Aspergillus fumigatus with cycA DNA | Descriptor: | CCAAT-binding factor complex subunit HapC, CCAAT-binding factor complex subunit HapE, CCAAT-binding transcription factor subunit HAPB, ... | Authors: | Groll, M, Huber, E.M. | Deposit date: | 2020-02-17 | Release date: | 2020-05-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural basis of HapE P88L -linked antifungal triazole resistance in Aspergillus fumigatus . Life Sci Alliance, 3, 2020
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2HPR
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6YOA
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![BU of 6yoa by Molmil](/molmil-images/mine/6yoa) | Lig v 1 structure and the inflammatory response to the Ole e 1 protein family | Descriptor: | Major pollen allergen Lig v 1, NICKEL (II) ION | Authors: | Robledo-Retana, T, Bradley-Clark, J, Croll, T, Rose, R, Stagg, A, Villalba, M, Pickersgill, R. | Deposit date: | 2020-04-14 | Release date: | 2020-05-13 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.83 Å) | Cite: | Lig v 1 structure and the inflammatory response to the Ole e 1 protein family. Allergy, 75, 2020
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6YQN
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![BU of 6yqn by Molmil](/molmil-images/mine/6yqn) | Crystal structure of the first bromodomain of human BRD4 in complex with the dual inhibitor TW9 | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{N}-(2-aminophenyl)-4-[2-[(9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]t rideca-2(6),4,7,10,12-pentaen-9-yl]ethanoylamino]benzamide | Authors: | Joerger, A.C, Balourdas, D.I, Weiser, T, Chatterjee, D, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2020-04-17 | Release date: | 2020-05-06 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | Characterization of a dual BET/HDAC inhibitor for treatment of pancreatic ductal adenocarcinoma. Int.J.Cancer, 147, 2020
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