5DJV
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5DJR
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![BU of 5djr by Molmil](/molmil-images/mine/5djr) | Crystal structure of human FPPS in complex with biaryl compound 6 | Descriptor: | 1H,1'H-4,4'-biindole-2-carboxylic acid, Farnesyl pyrophosphate synthase, GLYCEROL, ... | Authors: | Rondeau, J.M, Bourgier, E, Lehmann, S. | Deposit date: | 2015-09-02 | Release date: | 2015-09-30 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Discovery of Novel Allosteric Non-Bisphosphonate Inhibitors of Farnesyl Pyrophosphate Synthase by Integrated Lead Finding. Chemmedchem, 10, 2015
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5UGI
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5M5J
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![BU of 5m5j by Molmil](/molmil-images/mine/5m5j) | Thioredoxin reductase from Giardia duodenalis | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, SODIUM ION, Thioredoxin reductase | Authors: | Fiorillo, A, Ilari, A, Lalle, M. | Deposit date: | 2016-10-21 | Release date: | 2017-05-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Structural characterization of Giardia duodenalis thioredoxin reductase (gTrxR) and computational analysis of its interaction with NBDHEX. Eur J Med Chem, 135, 2017
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4G7V
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4G80
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4F7R
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2FFL
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4MGS
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![BU of 4mgs by Molmil](/molmil-images/mine/4mgs) | BiXyn10A CBM1 APO | Descriptor: | Putative glycosyl hydrolase family 10 | Authors: | Chekan, J.R, Nair, S.K. | Deposit date: | 2013-08-28 | Release date: | 2014-08-20 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Xylan utilization in human gut commensal bacteria is orchestrated by unique modular organization of polysaccharide-degrading enzymes. Proc.Natl.Acad.Sci.USA, 111, 2014
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2II2
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![BU of 2ii2 by Molmil](/molmil-images/mine/2ii2) | Crystal Structure of Alpha-11 Giardin | Descriptor: | Alpha-11 giardin, SULFATE ION | Authors: | Pathuri, P, Nguyen, E.T, Luecke, H. | Deposit date: | 2006-09-27 | Release date: | 2007-04-17 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Apo and Calcium-bound Crystal Structures of Alpha-11 Giardin, an Unusual Annexin from Giardia lamblia J.Mol.Biol., 368, 2007
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2IIC
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5DGN
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4HLW
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![BU of 4hlw by Molmil](/molmil-images/mine/4hlw) | Targeting the Binding Function 3 (BF3) Site of the Human Androgen Receptor Through Virtual Screening. 2. Development of 2-((2-phenoxyethyl) thio)-1H-benzoimidazole derivatives. | Descriptor: | 2-[(2-phenoxyethyl)sulfanyl]-1H-benzimidazole, Androgen receptor, GLYCEROL, ... | Authors: | Ravi, S.N.M, Leblanc, E, Axerio-Cilies, P, Labriere, C, Frewin, K, Hassona, M.D.H, Lack, N.A, Han, F.Q, Guns, E.S, Young, R, Ban, F, Rennie, P.S, Cherkasov, A. | Deposit date: | 2012-10-17 | Release date: | 2013-01-23 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Targeting the Binding Function 3 (BF3) Site of the Androgen Receptor Through Virtual Screening. 2. Development of 2-((2-phenoxyethyl) thio)-1H-benzimidazole Derivatives. J.Med.Chem., 56, 2013
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3DTX
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![BU of 3dtx by Molmil](/molmil-images/mine/3dtx) | Crystal structure of HLA-B*2705 complexed with the double citrullinated vasoactive intestinal peptide type 1 receptor (VIPR) peptide (residues 400-408) | Descriptor: | Beta-2-microglobulin, Double citrullinated vasoactive intestinal polypeptide receptor, MHC class I antigen (Fragment) | Authors: | Beltrami, A, Gabdulkhakov, A, Rossmann, M, Ziegler, A, Uchanska-Ziegler, B, Saenger, W. | Deposit date: | 2008-07-16 | Release date: | 2009-05-05 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Citrullination-and mhc polymorphism-dependent conformational changes of a self peptide To be Published
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3HCV
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![BU of 3hcv by Molmil](/molmil-images/mine/3hcv) | Crystal structure of HLA-B*2709 complexed with the double citrullinated vasoactive intestinal peptide type 1 receptor (VIPR) peptide (residues 400-408) | Descriptor: | Beta-2-microglobulin, DOUBLE CITRULLINATED VASOACTIVE INTESTINAL POLYPEPTIDE RECEPTOR, HLA class I histocompatibility antigen, ... | Authors: | Beltrami, A, Gabdulkhakov, A, Rossmann, M, Ziegler, A, Uchanska-Ziegler, B, Saenger, W. | Deposit date: | 2009-05-06 | Release date: | 2009-06-09 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Citrullination-and mhc polymorphism-dependent conformational changes of
a self peptide To be Published
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4EVH
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4EVF
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5LS9
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![BU of 5ls9 by Molmil](/molmil-images/mine/5ls9) | Humanized Archaeal ferritin | Descriptor: | Ferritin, putative, MAGNESIUM ION | Authors: | Baiocco, P, Trabuco, M.C, Boffi, A. | Deposit date: | 2016-08-23 | Release date: | 2016-11-30 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.93 Å) | Cite: | Humanized archaeal ferritin as a tool for cell targeted delivery. Nanoscale, 9, 2017
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2GSA
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5O3I
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![BU of 5o3i by Molmil](/molmil-images/mine/5o3i) | Human Brd2(BD2) mutant in complex with AL-tBu | Descriptor: | (2~{S})-1-[(2~{S})-2-oxidanylpropoxy]propan-2-ol, Bromodomain-containing protein 2, CHLORIDE ION, ... | Authors: | Chan, K.-H, Runcie, A.C, Ciulli, A. | Deposit date: | 2017-05-23 | Release date: | 2018-02-14 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Optimization of a "bump-and-hole" approach to allele-selective BET bromodomain inhibition. Chem Sci, 9, 2018
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5DEF
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![BU of 5def by Molmil](/molmil-images/mine/5def) | Crystal structure of B*27:04 complex bound to the pVIPR peptide | Descriptor: | Beta-2-microglobulin, CHLORIDE ION, GLYCEROL, ... | Authors: | Loll, B, Fabian, H, Huser, H, Hee, C.S, Uchanska-Ziegler, B, Ziegler, A. | Deposit date: | 2015-08-25 | Release date: | 2015-11-18 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Increased Conformational Flexibility of HLA-B*27 Subtypes Associated With Ankylosing Spondylitis. Arthritis Rheumatol, 68, 2016
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5DEG
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![BU of 5deg by Molmil](/molmil-images/mine/5deg) | Crystal structure of B*27:06 bound to the pVIPR peptide | Descriptor: | Beta-2-microglobulin, GLYCEROL, MHC class I antigen, ... | Authors: | Loll, B, Fabian, H, Hee, C.S, Huser, H, Uchanska-Ziegler, B, Ziegler, A. | Deposit date: | 2015-08-25 | Release date: | 2015-11-18 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Increased Conformational Flexibility of HLA-B*27 Subtypes Associated With Ankylosing Spondylitis. Arthritis Rheumatol, 68, 2016
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4LNL
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![BU of 4lnl by Molmil](/molmil-images/mine/4lnl) | Structure of Escherichia coli Threonine Aldolase in Complex with Allo-Thr | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, Low-specificity L-threonine aldolase, ... | Authors: | Safo, M.K. | Deposit date: | 2013-07-11 | Release date: | 2013-11-06 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | On the catalytic mechanism and stereospecificity of Escherichia coli l-threonine aldolase. Febs J., 281, 2014
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4APN
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![BU of 4apn by Molmil](/molmil-images/mine/4apn) | Structure of TR from Leishmania infantum in complex with a diarylpirrole-based inhibitor | Descriptor: | 4-[[1-(4-ethylphenyl)-2-methyl-5-(4-methylsulfanylphenyl)pyrrol-3-yl]methyl]thiomorpholine, FLAVIN-ADENINE DINUCLEOTIDE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Baiocco, P, Ilari, A, Colotti, G, Biava, M. | Deposit date: | 2012-04-04 | Release date: | 2013-04-17 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Inhibition of Leishmania Infantum Trypanothione Reductase by Azole-Based Compounds: A Comparative Analysis with its Physiological Substrate by X-Ray Crystallography. Chemmedchem, 8, 2013
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4FIN
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![BU of 4fin by Molmil](/molmil-images/mine/4fin) | Crystal Structure of EttA (formerly YjjK) - an E. coli ABC-type ATPase | Descriptor: | CITRIC ACID, EttA (YjjK) ABCF family protein, GLYCEROL, ... | Authors: | Smith, P, Yuan, Y, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2012-06-09 | Release date: | 2013-07-03 | Last modified: | 2014-03-05 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | The ABC-F protein EttA gates ribosome entry into the translation elongation cycle. Nat.Struct.Mol.Biol., 21, 2014
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