5DD4
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![BU of 5dd4 by Molmil](/molmil-images/mine/5dd4) | Apo structure of transcriptional factor AraR from Bacteroides thetaiotaomicron VPI | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, TRANSCRIPTIONAL REGULATOR AraR | Authors: | Chang, C, Tesar, C, Rodionov, D, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2015-08-24 | Release date: | 2015-09-09 | Last modified: | 2015-12-16 | Method: | X-RAY DIFFRACTION (2.56 Å) | Cite: | A novel transcriptional regulator of L-arabinose utilization in human gut bacteria. Nucleic Acids Res., 43, 2015
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2VY7
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![BU of 2vy7 by Molmil](/molmil-images/mine/2vy7) | The 627-domain from influenza A virus polymerase PB2 subunit | Descriptor: | POLYMERASE BASIC PROTEIN 2 | Authors: | Tarendeau, F, Crepin, T, Guilligay, D, Ruigrok, R, Cusack, S, Hart, D. | Deposit date: | 2008-07-18 | Release date: | 2008-09-09 | Last modified: | 2012-06-06 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Host Determinant Residue Lysine 627 Lies on the Surface of a Discrete, Folded Domain of Influenza Virus Polymerase Pb2 Subunit Plos Pathog., 4, 2008
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3ZGH
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![BU of 3zgh by Molmil](/molmil-images/mine/3zgh) | Crystal structure of the KRT10-binding region domain of the pneumococcal serine rich repeat protein PsrP | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, CELL WALL SURFACE ANCHOR FAMILY PROTEIN, ... | Authors: | Schulte, T, Loefling, J, Mikaelsson, C, Kikhney, A, Hentrich, K, Diamante, A, Ebel, C, Normark, S, Svergun, D, Henriques-Normark, B, Achour, A. | Deposit date: | 2012-12-17 | Release date: | 2014-01-08 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The Basic Keratin 10-Binding Domain of the Virulence-Associated Pneumococcal Serine-Rich Protein Psrp Adopts a Novel Mscramm Fold. Open Biol., 4, 2014
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5D9D
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![BU of 5d9d by Molmil](/molmil-images/mine/5d9d) | Luciferin-regenerating enzyme solved by SAD using synchrotron radiation at room temperature | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Luciferin regenerating enzyme, MAGNESIUM ION, ... | Authors: | Yamashita, K, Pan, D, Okuda, T, Murai, T, Kodan, A, Yamaguchi, T, Gomi, K, Kajiyama, N, Kato, H, Ago, H, Yamamoto, M, Nakatsu, T. | Deposit date: | 2015-08-18 | Release date: | 2015-09-23 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.701 Å) | Cite: | An isomorphous replacement method for efficient de novo phasing for serial femtosecond crystallography. Sci Rep, 5, 2015
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4IFX
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![BU of 4ifx by Molmil](/molmil-images/mine/4ifx) | Crystal structure of Treponema pallidum TP0796 Flavin trafficking protein, FAD substrate bound form | Descriptor: | ACETATE ION, FLAVIN-ADENINE DINUCLEOTIDE, MAGNESIUM ION, ... | Authors: | Tomchick, D.R, Brautigam, C.A, Deka, R.K, Norgard, M.V. | Deposit date: | 2012-12-15 | Release date: | 2013-02-27 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.452 Å) | Cite: | The TP0796 Lipoprotein of Treponema pallidum Is a Bimetal-dependent FAD Pyrophosphatase with a Potential Role in Flavin Homeostasis. J.Biol.Chem., 288, 2013
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4RED
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![BU of 4red by Molmil](/molmil-images/mine/4red) | Crystal structure of human AMPK alpha1 KD-AID with K43A mutation | Descriptor: | 5'-AMP-activated protein kinase catalytic subunit alpha-1 | Authors: | Zhou, X.E, Ke, J, Li, X, Wang, L, Gu, X, de Waal, P.W, Tan, M.H.E, Wang, D, Wu, D, Xu, H.E, Melcher, K. | Deposit date: | 2014-09-22 | Release date: | 2014-12-10 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Structural basis of AMPK regulation by adenine nucleotides and glycogen. Cell Res., 25, 2015
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5DH0
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4R85
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![BU of 4r85 by Molmil](/molmil-images/mine/4r85) | Crystal structure of 5-methylcytosine deaminase from Klebsiella pneumoniae liganded with 5-methylcytosine | Descriptor: | 5-methylcytosine, Cytosine deaminase, FE (II) ION, ... | Authors: | Fedorov, A.A, Fedorov, E.V, Hitchcock, D.S, Raushel, F.M, Almo, S.C. | Deposit date: | 2014-08-29 | Release date: | 2014-09-17 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.802 Å) | Cite: | Crystal structure of 5-methylcytosine deaminase from Klebsiella pneumoniae liganded with 5-methylcytosine To be Published
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2WF3
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![BU of 2wf3 by Molmil](/molmil-images/mine/2wf3) | Human BACE-1 in complex with 6-(ethylamino)-N-((1S,2R)-2-hydroxy-3-(((3-(methyloxy)phenyl)methyl)amino)-1-(phenylmethyl)propyl)-1-methyl-1, 3,4,5-tetrahydro-2,1-benzothiazepine-8-carboxamide 2,2-dioxide | Descriptor: | BETA-SECRETASE 1, GLYCEROL, N-{(1S,2R)-1-BENZYL-2-HYDROXY-3-[(3-METHOXYBENZYL)AMINO]PROPYL}-6-(ETHYLAMINO)-1-METHYL-1,3,4,5-TETRAHYDRO-2,1-BENZOTHIAZEPINE-8-CARBOXAMIDE 2,2-DIOXIDE | Authors: | Charrier, N, Clarke, B, Demont, E, Dingwall, C, Dunsdon, R, Hawkins, J, Hubbard, J, Hussain, I, Maile, G, Matico, R, Mosley, J, Naylor, A, O'Brien, A, Redshaw, S, Rowland, P, Soleil, V, Smith, K.J, Sweitzer, S, Theobald, P, Vesey, D, Walter, D.S, Wayne, G. | Deposit date: | 2009-04-02 | Release date: | 2009-05-19 | Last modified: | 2019-05-15 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Second Generation of Bace-1 Inhibitors Part 2: Optimisation of the Non-Prime Side Substituent. Bioorg.Med.Chem.Lett., 19, 2009
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4IGE
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![BU of 4ige by Molmil](/molmil-images/mine/4ige) | Crystal structure of Plasmodium falciparum FabI complexed with NAD and inhibitor 7-(4-Chloro-2-hydroxyphenoxy)-4-methyl-2H-chromen-2-one | Descriptor: | 7-(4-chloro-2-hydroxyphenoxy)-4-methyl-2H-chromen-2-one, Enoyl-acyl carrier reductase, GLYCEROL, ... | Authors: | Kostrewa, D, Perozzo, R. | Deposit date: | 2012-12-17 | Release date: | 2013-11-06 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Design, Synthesis, and Biological and Crystallographic Evaluation of Novel Inhibitors of Plasmodium falciparum Enoyl-ACP-reductase (PfFabI) J.Med.Chem., 56, 2013
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1T4R
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![BU of 1t4r by Molmil](/molmil-images/mine/1t4r) | arginase-descarboxy-nor-NOHA complex | Descriptor: | 3-{[(E)-AMINO(HYDROXYIMINO)METHYL]AMINO}PROPAN-1-AMINIUM, Arginase 1, MANGANESE (II) ION | Authors: | Cama, E, Pethe, S, Boucher, J.-L, Shoufa, H, Emig, F.A, Ash, D.E, Viola, R.E, Mansuy, D, Christianson, D.W. | Deposit date: | 2004-04-30 | Release date: | 2005-04-12 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Inhibitor coordination interactions in the binuclear manganese cluster of arginase Biochemistry, 43, 2004
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2VTY
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![BU of 2vty by Molmil](/molmil-images/mine/2vty) | Vaccinia virus anti-apoptotic F1L is a novel Bcl-2-like domain swapped dimer | Descriptor: | PROTEIN F1 | Authors: | Kvansakul, M, Yang, H, Fairlie, W.D, Czabotar, P.E, Fischer, S.F, Perugini, M.A, Huang, D.C.S, Colman, P.M. | Deposit date: | 2008-05-19 | Release date: | 2008-06-24 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Vaccinia Virus Anti-Apoptotic F1L is a Novel Bcl-2-Like Domain-Swapped Dimer that Binds a Highly Selective Subset of Bh3-Containing Death Ligands. Cell Death Differ., 15, 2008
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7TD3
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![BU of 7td3 by Molmil](/molmil-images/mine/7td3) | Sphingosine-1-phosphate receptor 1-Gi complex bound to S1P | Descriptor: | (2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Liu, S, Paknejad, N, Zhu, L, Kihara, Y, Ray, D, Chun, J, Liu, W, Hite, R.K, Huang, X.Y. | Deposit date: | 2021-12-30 | Release date: | 2022-02-09 | Last modified: | 2022-02-23 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Differential activation mechanisms of lipid GPCRs by lysophosphatidic acid and sphingosine 1-phosphate. Nat Commun, 13, 2022
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8WQO
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![BU of 8wqo by Molmil](/molmil-images/mine/8wqo) | Crystal structure of BRD4-BD1 bound with DI106 | Descriptor: | (3~{R})-6-[[4-(3,5-dimethyl-1~{H}-pyrazol-4-yl)pyrimidin-2-yl]amino]-1,3-dimethyl-4-propan-2-yl-3~{H}-quinoxalin-2-one, Isoform C of Bromodomain-containing protein 4 | Authors: | Cao, D, Xiong, B. | Deposit date: | 2023-10-12 | Release date: | 2024-07-24 | Method: | X-RAY DIFFRACTION (1.13 Å) | Cite: | Rational design and evaluation of BET-Aurora A dual-inhibitors for treatment of cancers To Be Published
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2W4E
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![BU of 2w4e by Molmil](/molmil-images/mine/2w4e) | Structure of an N-terminally truncated Nudix hydrolase DR2204 from Deinococcus radiodurans | Descriptor: | MUTT/NUDIX FAMILY PROTEIN | Authors: | Goncalves, A.M.D, Fioravanti, E, Stelter, M, McSweeney, S. | Deposit date: | 2008-11-25 | Release date: | 2009-12-01 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure of an N-Terminally Truncated Nudix Hydrolase Dr2204 from Deinococcus Radiodurans. Acta Crystallogr.,Sect.F, 65, 2009
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3ZGI
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![BU of 3zgi by Molmil](/molmil-images/mine/3zgi) | Crystal structure of the KRT10-binding region domain of the pneumococcal serine rich repeat protein PsrP | Descriptor: | 1,2-ETHANEDIOL, CELL WALL SURFACE ANCHOR FAMILY PROTEIN, SULFATE ION | Authors: | Schulte, T, Loefling, J, Mikaelsson, C, Kikhney, A, Hentrich, K, Diamante, A, Ebel, C, Normark, S, Svergun, D, Henriques-Normark, B, Achour, A. | Deposit date: | 2012-12-17 | Release date: | 2013-12-25 | Last modified: | 2019-05-08 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | The Basic Keratin 10-Binding Domain of the Virulence-Associated Pneumococcal Serine-Rich Protein Psrp Adopts a Novel Mscramm Fold. Open Biol., 4, 2014
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5CW1
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![BU of 5cw1 by Molmil](/molmil-images/mine/5cw1) | Proteinase K complexed with 4-iodopyrazole | Descriptor: | 4-IODOPYRAZOLE, IODIDE ION, Proteinase K, ... | Authors: | Bauman, J.D, Arnold, E. | Deposit date: | 2015-07-27 | Release date: | 2015-12-30 | Last modified: | 2017-09-27 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Rapid experimental SAD phasing and hot spot identification with halogenated fragments Iucrj, 3, 2016
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7TD4
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![BU of 7td4 by Molmil](/molmil-images/mine/7td4) | Sphingosine-1-phosphate receptor 1-Gi complex bound to Siponimod | Descriptor: | 1-[[4-[(~{E})-~{N}-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-~{C}-methyl-carbonimidoyl]-2-ethyl-phenyl]methyl]azetidine-3-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Liu, S, Paknejad, N, Zhu, L, Kihara, Y, Ray, D, Chun, J, Liu, W, Hite, R.K, Huang, X.Y. | Deposit date: | 2021-12-30 | Release date: | 2022-02-09 | Last modified: | 2022-02-23 | Method: | ELECTRON MICROSCOPY (2.6 Å) | Cite: | Differential activation mechanisms of lipid GPCRs by lysophosphatidic acid and sphingosine 1-phosphate. Nat Commun, 13, 2022
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3WY0
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![BU of 3wy0 by Molmil](/molmil-images/mine/3wy0) | The I375W mutant of CsyB complexed with CoA-SH | Descriptor: | COENZYME A, Putative uncharacterized protein csyB | Authors: | Mori, T, Yang, D, Matsui, T, Morita, H, Fujii, I, Abe, I. | Deposit date: | 2014-08-13 | Release date: | 2015-01-14 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.001 Å) | Cite: | Structural basis for the formation of acylalkylpyrones from two beta-ketoacyl units by the fungal type III polyketide synthase CsyB. J.Biol.Chem., 290, 2015
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5K31
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![BU of 5k31 by Molmil](/molmil-images/mine/5k31) | Crystal structure of Human fibrillar procollagen type I C-propeptide Homo-trimer | Descriptor: | CALCIUM ION, CHLORIDE ION, Collagen alpha-1(I) chain, ... | Authors: | Sharma, U, Hulmes, D.J.S, Aghajari, N. | Deposit date: | 2016-05-19 | Release date: | 2017-03-22 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural basis of homo- and heterotrimerization of collagen I. Nat Commun, 8, 2017
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4IFJ
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![BU of 4ifj by Molmil](/molmil-images/mine/4ifj) | Crystal Structures of apo Keap1, Keap1-peptide, and Keap1-compound complexes | Descriptor: | Kelch-like ECH-associated protein 1 | Authors: | Pan, H, Lin, M, Yang, Y, Callaway, K, Baker, J, Diep, L, Yan, J, Tanaka, K, Zhu, Y.L, Konradi, A.W, Jobling, M, Tam, D, Ren, Z, Cheung, H, Bova, M, Riley, B.E, Yao, N, Artis, D.R. | Deposit date: | 2012-12-14 | Release date: | 2014-08-20 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal Structures of apo Keap1, Keap1-peptide, and Keap1-compound complexes To be Published
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5CUY
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![BU of 5cuy by Molmil](/molmil-images/mine/5cuy) | Crystal structure of Trypanosoma brucei Vacuolar Soluble Pyrophosphatases in apo form | Descriptor: | Acidocalcisomal pyrophosphatase, CITRIC ACID, MAGNESIUM ION | Authors: | Yang, Y.Y, Ko, T.P, Liu, W.D, Zheng, Y.Y, Chen, C.C, Guo, R.T. | Deposit date: | 2015-07-25 | Release date: | 2016-03-02 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of Trypanosoma cruzi protein in complex with ligand Acs Chem.Biol., 2016
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5D32
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5D3N
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![BU of 5d3n by Molmil](/molmil-images/mine/5d3n) | First bromodomain of BRD4 bound to inhibitor XD40 | Descriptor: | 4-acetyl-3-ethyl-5-methyl-N-[2-methyl-5-(methylsulfamoyl)phenyl]-1H-pyrrole-2-carboxamide, Bromodomain-containing protein 4 | Authors: | Wohlwend, D, Huegle, M. | Deposit date: | 2015-08-06 | Release date: | 2016-01-20 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | 4-Acyl Pyrrole Derivatives Yield Novel Vectors for Designing Inhibitors of the Acetyl-Lysine Recognition Site of BRD4(1). J.Med.Chem., 59, 2016
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1TH3
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![BU of 1th3 by Molmil](/molmil-images/mine/1th3) | Crystal structure of NADPH depleted bovine live catalase complexed with cyanide | Descriptor: | CYANIDE ION, Catalase, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Sugadev, R, Balasundaresan, D, Ponnuswamy, M.N, Kumaran, D, Swaminathan, S, Sekar, K. | Deposit date: | 2004-06-01 | Release date: | 2005-07-05 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | The crystal structure of bovine liver catalase TO BE PUBLISHED
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