4MB8
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2ERH
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![BU of 2erh by Molmil](/molmil-images/mine/2erh) | Crystal Structure of the E7_G/Im7_G complex; a designed interface between the colicin E7 DNAse and the Im7 immunity protein | Descriptor: | Colicin E7, Colicin E7 immunity protein | Authors: | Joachimiak, L.A, Kortemme, T, Stoddard, B.L, Baker, D. | Deposit date: | 2005-10-24 | Release date: | 2006-07-25 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Computational Design of a New Hydrogen Bond Network and at Least a 300-fold Specificity Switch at a Protein-Protein Interface. J.Mol.Biol., 361, 2006
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5BUN
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![BU of 5bun by Molmil](/molmil-images/mine/5bun) | Crystal structure of an antigenic outer membrane protein ST50 from Salmonella Typhi | Descriptor: | Outer membrane protein, octyl beta-D-glucopyranoside | Authors: | Yoshimura, M, Chuankhayan, P, Lin, C.C, Chen, N.C, Yang, M.C, Fun, H.K. | Deposit date: | 2015-06-04 | Release date: | 2015-12-23 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.98 Å) | Cite: | Crystal structure of an antigenic outer-membrane protein from Salmonella Typhi suggests a potential antigenic loop and an efflux mechanism. Sci Rep, 5, 2015
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2B6C
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![BU of 2b6c by Molmil](/molmil-images/mine/2b6c) | Predicted DNA alkylation repair enzyme from Enterococcus faecalis. | Descriptor: | BETA-MERCAPTOETHANOL, CHLORIDE ION, GLYCEROL, ... | Authors: | Osipiuk, J, Hatzos, C, Moy, S, Collart, F, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2005-09-30 | Release date: | 2005-11-15 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Xray structure of predicted DNA alkylation repair enzyme from Enterococcus faecalis. To be Published
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5E1I
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![BU of 5e1i by Molmil](/molmil-images/mine/5e1i) | Crystal structure of Mycobacterium tuberculosis L,D-transpeptidase 2 with carbapenem drug T210 | Descriptor: | (2S,3R,4R)-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-3-methyl-4-(methylsulfanyl)-3,4-dihydro-2H-pyrrole-5-carboxylic acid, GLYCEROL, L,D-transpeptidase 2, ... | Authors: | Kumar, P, Ginell, S.L, Lamichhane, G. | Deposit date: | 2015-09-29 | Release date: | 2016-10-12 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.003 Å) | Cite: | Non-classical transpeptidases yield insight into new antibacterials. Nat. Chem. Biol., 13, 2017
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2B7X
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5ANT
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![BU of 5ant by Molmil](/molmil-images/mine/5ant) | Potent and selective inhibitors of MTH1 probe its role in cancer cell survival | Descriptor: | 2-(2-methoxyethoxy)-6-(methylamino)-9-(phenylmethyl)-7H-purin-8-one, 7,8-DIHYDRO-8-OXOGUANINE TRIPHOSPHATASE | Authors: | Kettle, J.G, Alwan, H, Bista, M, Breed, J, Kack, H, Eckersley, K, Foote, K.M, Fillery, S, Goodwin, L, Jones, D, Lau, A, Nissink, J.W.M, Read, J, Scott, J, Taylor, B, Walker, G, Wissler, L. | Deposit date: | 2015-09-08 | Release date: | 2016-03-02 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Potent and Selective Inhibitors of Mth1 Probe its Role in Cancer Cell Survival. J.Med.Chem., 59, 2016
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5XHO
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![BU of 5xho by Molmil](/molmil-images/mine/5xho) | Crystal structure of Frog M-ferritin E135K mutant | Descriptor: | CHLORIDE ION, Ferritin, middle subunit, ... | Authors: | Jagdev, M.K, Vasudevan, D. | Deposit date: | 2017-04-21 | Release date: | 2017-08-09 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Surface charge dependent separation of modified and hybrid ferritin in native PAGE: Impact of lysine 104 Biochim. Biophys. Acta, 1865, 2017
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2FI4
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![BU of 2fi4 by Molmil](/molmil-images/mine/2fi4) | Crystal structure of a BPTI variant (Cys14->Ser) in complex with trypsin | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, Cationic trypsin, ... | Authors: | Zakharova, E, Horvath, M.P, Goldenberg, D.P. | Deposit date: | 2005-12-27 | Release date: | 2006-01-24 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Functional and structural roles of the Cys14-Cys38 disulfide of bovine pancreatic trypsin inhibitor. J.Mol.Biol., 382, 2008
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2FEC
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![BU of 2fec by Molmil](/molmil-images/mine/2fec) | Structure of the E203Q mutant of the Cl-/H+ exchanger CLC-ec1 from E.Coli | Descriptor: | Fab fragment, heavy chain, light chain, ... | Authors: | Accardi, A, Walden, M.P, Nguitragool, W, Jayaram, H, Williams, C, Miller, C. | Deposit date: | 2005-12-15 | Release date: | 2006-01-03 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (3.967 Å) | Cite: | Separate ion pathways in a Cl-/H+ exchanger J.Gen.Physiol., 126, 2005
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5DZJ
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![BU of 5dzj by Molmil](/molmil-images/mine/5dzj) | Crystal structure of Mycobacterium tuberculosis L,D-transpeptidase 2 with carbapenem drug T206 in conformation A | Descriptor: | (2~{R},3~{R},4~{R})-4-methyl-3-(2-oxidanylidene-2-propoxy-ethyl)sulfanyl-5-[(2~{S},3~{R})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-3,4-dihydro-2~{H}-pyrrole-2-carboxylic acid, L,D-transpeptidase 2 | Authors: | Kumar, P, Ginell, S.L, Lamichhane, G. | Deposit date: | 2015-09-25 | Release date: | 2016-10-05 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.095 Å) | Cite: | Non-classical transpeptidases yield insight into new antibacterials. Nat. Chem. Biol., 13, 2017
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5E7I
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5WOE
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4OVL
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![BU of 4ovl by Molmil](/molmil-images/mine/4ovl) | Interrogating HIV integrase for compounds that bind- a SAMPL challenge | Descriptor: | 1,2-ETHANEDIOL, 3-[(E)-(2-oxidanylidene-1H-indol-3-ylidene)methyl]benzoic acid, ACETIC ACID, ... | Authors: | Peat, T.S. | Deposit date: | 2013-11-21 | Release date: | 2014-03-05 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Interrogating HIV integrase for compounds that bind--a SAMPL challenge. J. Comput. Aided Mol. Des., 28, 2014
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5XHM
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![BU of 5xhm by Molmil](/molmil-images/mine/5xhm) | Crystal structure of Frog M-ferritin D40A mutant | Descriptor: | CHLORIDE ION, Ferritin, middle subunit, ... | Authors: | Jagdev, M.K, Vasudevan, D. | Deposit date: | 2017-04-21 | Release date: | 2017-08-09 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Surface charge dependent separation of modified and hybrid ferritin in native PAGE: Impact of lysine 104 Biochim. Biophys. Acta, 1865, 2017
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5E51
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![BU of 5e51 by Molmil](/molmil-images/mine/5e51) | Crystal structure of Mycobacterium tuberculosis L,D-transpeptidase 1 with Faropenem adduct | Descriptor: | (3R)-3-hydroxybutanal, L,D-transpeptidase 1 | Authors: | Kumar, P, Lamichhane, G, Ginell, S.L. | Deposit date: | 2015-10-07 | Release date: | 2016-10-26 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Non-classical transpeptidases yield insight into new antibacterials. Nat. Chem. Biol., 13, 2017
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4LRE
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![BU of 4lre by Molmil](/molmil-images/mine/4lre) | Phosphopentomutase soaked with 2,3-dideoxyribose 5-phosphate | Descriptor: | 2,3-dideoxy-5-O-phosphono-alpha-D-ribofuranose, MANGANESE (II) ION, Phosphopentomutase | Authors: | Birmingham, W.A, Starbird, C.A, Panosian, T.D, Nannemann, D.P, Iverson, T.M, Bachmann, B.O. | Deposit date: | 2013-07-19 | Release date: | 2013-07-31 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Bioretrosynthetic construction of a didanosine biosynthetic pathway. Nat.Chem.Biol., 10, 2014
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4LUV
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![BU of 4luv by Molmil](/molmil-images/mine/4luv) | Fragment-Based Discovery of a Potent Inhibitor of Replication Protein A Protein-Protein Interactions | Descriptor: | 1-(3-methylphenyl)-5-phenyl-1H-pyrazole-3-carboxylic acid, 5-(3-chloro-4-fluorophenyl)furan-2-carboxylic acid, Replication protein A 70 kDa DNA-binding subunit | Authors: | Feldkamp, M.D, Frank, A.O, Kennedy, J.P, Waterson, A.G, Olejnczak, E.O, Pelz, N.F, Patrone, J.D, Vangamudi, B, Camper, D.V, Rossanese, O.W, Fesik, S.W, Chazin, W.J. | Deposit date: | 2013-07-25 | Release date: | 2013-12-11 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Discovery of a potent inhibitor of replication protein a protein-protein interactions using a fragment-linking approach. J.Med.Chem., 56, 2013
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4LR9
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![BU of 4lr9 by Molmil](/molmil-images/mine/4lr9) | Phosphopentomutase S154A variant soaked with 2,3-dideoxyribose 5-phosphate | Descriptor: | 2,3-dideoxy-5-O-phosphono-alpha-D-ribofuranose, GLYCEROL, MANGANESE (II) ION, ... | Authors: | Birmingham, W.A, Starbird, C.A, Panosian, T.D, Nannemann, D.P, Iverson, T.M, Bachmann, B.O. | Deposit date: | 2013-07-19 | Release date: | 2013-07-31 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Bioretrosynthetic construction of a didanosine biosynthetic pathway. Nat.Chem.Biol., 10, 2014
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4P9V
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![BU of 4p9v by Molmil](/molmil-images/mine/4p9v) | Grb2 SH2 complexed with a pTyr-Ac6cN-Asn tripeptide | Descriptor: | CHLORIDE ION, Growth factor receptor-bound protein 2, PHQ-PTR-02K-ASN-NH2 | Authors: | Clements, J.H, Martin, S.F. | Deposit date: | 2014-04-06 | Release date: | 2014-06-18 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Protein-ligand interactions: Probing the energetics of a putative cation-pi interaction. Bioorg.Med.Chem.Lett., 24, 2014
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4PM8
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![BU of 4pm8 by Molmil](/molmil-images/mine/4pm8) | Crystal structure of CTX-M-14 S70G:S237A beta-lactamase at 1.17 Angstroms resolution | Descriptor: | Beta-lactamase CTX-M-14, SULFATE ION | Authors: | Adamski, C.J, Cardenas, A.M, Sankaran, B, Palzkill, T. | Deposit date: | 2014-05-20 | Release date: | 2014-12-31 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.169 Å) | Cite: | Molecular Basis for the Catalytic Specificity of the CTX-M Extended-Spectrum beta-Lactamases. Biochemistry, 54, 2015
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2FB6
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![BU of 2fb6 by Molmil](/molmil-images/mine/2fb6) | Structure of Conserved Protein of Unknown Function BT1422 from Bacteroides thetaiotaomicron | Descriptor: | conserved hypothetical protein | Authors: | Osipiuk, J, Mulligan, R, Abdullah, J, Collart, F, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2005-12-08 | Release date: | 2006-01-24 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | X-ray crystal structure of conserved hypothetical protein BT1422 from Bacteroides thetaiotaomicron To be Published
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2FEE
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![BU of 2fee by Molmil](/molmil-images/mine/2fee) | Structure of the Cl-/H+ exchanger CLC-ec1 from E.Coli in NaBr | Descriptor: | Fab fragment, heavy chain, light chain, ... | Authors: | Accardi, A, Walden, M.P, Nguitragool, W, Jayaram, H, Williams, C, Miller, C. | Deposit date: | 2005-12-15 | Release date: | 2006-01-03 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Separate ion pathways in a Cl-/H+ exchanger J.Gen.Physiol., 126, 2005
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2F4J
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![BU of 2f4j by Molmil](/molmil-images/mine/2f4j) | Structure of the Kinase Domain of an Imatinib-Resistant Abl Mutant in Complex with the Aurora Kinase Inhibitor VX-680 | Descriptor: | CYCLOPROPANECARBOXYLIC ACID {4-[4-(4-METHYL-PIPERAZIN-1-YL)-6-(5-METHYL-2H-PYRAZOL-3-YLAMINO)-PYRIMIDIN-2-YLSULFANYL]-PHENYL}-AMIDE, Proto-oncogene tyrosine-protein kinase ABL1 | Authors: | Young, M.A, Shah, N.P, Chao, L.H, Zarrinkar, P, Sawyers, P, Kuriyan, J. | Deposit date: | 2005-11-23 | Release date: | 2006-01-24 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Structure of the kinase domain of an imatinib-resistant Abl mutant in complex with the Aurora kinase inhibitor VX-680. Cancer Res., 66, 2006
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2FI5
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![BU of 2fi5 by Molmil](/molmil-images/mine/2fi5) | Crystal structure of a BPTI variant (Cys38->Ser) in complex with trypsin | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, Cationic trypsin, ... | Authors: | Zakharova, E, Horvath, M.P, Goldenberg, D.P. | Deposit date: | 2005-12-27 | Release date: | 2006-01-24 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Functional and structural roles of the Cys14-Cys38 disulfide of bovine pancreatic trypsin inhibitor. J.Mol.Biol., 382, 2008
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