2OA8
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![BU of 2oa8 by Molmil](/molmil-images/mine/2oa8) | Crystal Structure of mTREX1 with ssDNA | Descriptor: | 5'-D(*GP*AP*CP*G)-3', CALCIUM ION, Three prime repair exonuclease 1 | Authors: | de Silva, U, Hollis, T. | Deposit date: | 2006-12-15 | Release date: | 2007-02-20 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The Crystal Structure of TREX1 Explains the 3' Nucleotide Specificity and Reveals a Polyproline II Helix for Protein Partnering. J.Biol.Chem., 282, 2007
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1SGK
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![BU of 1sgk by Molmil](/molmil-images/mine/1sgk) | NUCLEOTIDE-FREE DIPHTHERIA TOXIN | Descriptor: | DIPHTHERIA TOXIN (DIMERIC) | Authors: | Bell, C.E, Eisenberg, D. | Deposit date: | 1996-09-12 | Release date: | 1996-12-23 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of nucleotide-free diphtheria toxin. Biochemistry, 36, 1997
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3HPT
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![BU of 3hpt by Molmil](/molmil-images/mine/3hpt) | Crystal structure of human FxA in complex with (S)-2-cyano-1-(2-methylbenzofuran-5-yl)-3-(2-oxo-1-(2-oxo-2-(pyrrolidin-1-yl)ethyl)azepan-3-yl)guanidine | Descriptor: | 1-cyano-2-(2-methyl-1-benzofuran-5-yl)-3-[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]guanidine, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ACETATE ION, ... | Authors: | Klei, H.E, Ghosh, K, Rushith, A, Kish, K. | Deposit date: | 2009-06-04 | Release date: | 2009-11-17 | Last modified: | 2017-11-01 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Cyanoguanidine-based lactam derivatives as a novel class of orally bioavailable factor Xa inhibitors. Bioorg.Med.Chem.Lett., 19, 2009
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5BR1
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![BU of 5br1 by Molmil](/molmil-images/mine/5br1) | CRYSTAL STRUCTURE OF AN ABC TRANSPORTER SOLUTE BINDING PROTEIN (IPR025997) FROM AGROBACTERIUM VITIS S4 (Avi_5305, TARGET EFI-511224) WITH BOUND ALPHA-D-GALACTOSAMINE | Descriptor: | 2-amino-2-deoxy-alpha-D-galactopyranose, ABC transporter, binding protein | Authors: | Yadava, U, Vetting, M.W, Al Obaidi, N.F, Toro, R, Morisco, L.L, Benach, J, Wasserman, S.R, Attonito, J.D, Scott Glenn, A, Chamala, S, Chowdhury, S, Lafleur, J, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2015-05-29 | Release date: | 2015-06-10 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structure of an ABC transporter solute-binding protein specific for the amino sugars glucosamine and galactosamine. Acta Crystallogr.,Sect.F, 72, 2016
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3IRM
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![BU of 3irm by Molmil](/molmil-images/mine/3irm) | Trypanosoma cruzi Dihydrofolate Reductase-Thymidylate Synthase COMPLEXED WITH Cycloguanil | Descriptor: | 1-(4-chlorophenyl)-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine, ACETATE ION, Bifunctional dihydrofolate reductase-thymidylate synthase, ... | Authors: | Chitnumsub, P, Yuvaniyama, J, Yuthavong, Y. | Deposit date: | 2009-08-24 | Release date: | 2010-07-28 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural basis of antifolate inhibition of Trypanosoma cruzi Dihydrofolate Reductase-Thymidylate Synthase To be Published
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3IRO
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![BU of 3iro by Molmil](/molmil-images/mine/3iro) | |
3INV
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![BU of 3inv by Molmil](/molmil-images/mine/3inv) | Trypanosoma cruzi Dihydrofolate Reductase-Thymidylate Synthase COMPLEXED WITH NADPH, dUMP AND C-448 ANTIFOLATE | Descriptor: | 1-[3-(2,3-dichlorophenoxy)propoxy]-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Bifunctional dihydrofolate reductase-thymidylate synthase, ... | Authors: | Chitnumsub, P, Yuvaniyama, J, Yuthavong, Y. | Deposit date: | 2009-08-13 | Release date: | 2010-07-28 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.37 Å) | Cite: | Structural basis of antifolate inhibition of Trypanosoma cruzi Dihydrofolate Reductase-Thymidylate Synthase To be Published
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3IRN
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![BU of 3irn by Molmil](/molmil-images/mine/3irn) | Trypanosoma cruzi Dihydrofolate Reductase-Thymidylate Synthase COMPLEXED WITH NADPH AND Cycloguanil | Descriptor: | 1-(4-chlorophenyl)-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine, Bifunctional dihydrofolate reductase-thymidylate synthase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Chitnumsub, P, Yuvaniyama, J, Yuthavong, Y. | Deposit date: | 2009-08-24 | Release date: | 2010-07-28 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural basis of antifolate inhibition of Trypanosoma cruzi Dihydrofolate Reductase-Thymidylate Synthase To be Published
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4G1N
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![BU of 4g1n by Molmil](/molmil-images/mine/4g1n) | PKM2 in complex with an activator | Descriptor: | MAGNESIUM ION, N-(4-{[4-(pyrazin-2-yl)piperazin-1-yl]carbonyl}phenyl)quinoline-8-sulfonamide, OXALATE ION, ... | Authors: | Kung, C, Hixon, J, Dang, L, DeLaBarre, B, Qian, K.C. | Deposit date: | 2012-07-10 | Release date: | 2012-10-10 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Small Molecule Activation of PKM2 in Cancer Cells Induces Serine Auxotrophy. Chem.Biol., 19, 2012
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6N2X
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![BU of 6n2x by Molmil](/molmil-images/mine/6n2x) | Anti-HIV-1 Fab 2G12 + Man9 re-refinement | Descriptor: | Fab 2G12 heavy chain, Fab 2G12 light chain, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Calarese, D.A, Stanfield, R.L, Wilson, I.A. | Deposit date: | 2018-11-14 | Release date: | 2018-11-28 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Antibody domain exchange is an immunological solution to carbohydrate cluster recognition. Science, 300, 2003
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6N35
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![BU of 6n35 by Molmil](/molmil-images/mine/6n35) | Anti-HIV-1 Fab 2G12 + Man1-2 re-refinement | Descriptor: | BENZOIC ACID, Fab 2G12 heavy chain, Fab 2G12 light chain, ... | Authors: | Calarese, D.A, Stanfield, R.L, Wilson, I.A. | Deposit date: | 2018-11-14 | Release date: | 2018-11-28 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.747 Å) | Cite: | Antibody domain exchange is an immunological solution to carbohydrate cluster recognition. Science, 300, 2003
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1TOX
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![BU of 1tox by Molmil](/molmil-images/mine/1tox) | DIPHTHERIA TOXIN DIMER COMPLEXED WITH NAD | Descriptor: | DIPHTHERIA TOXIN (DIMERIC), NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Bell, C.E, Eisenberg, D. | Deposit date: | 1995-10-06 | Release date: | 1996-06-10 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of diphtheria toxin bound to nicotinamide adenine dinucleotide. Biochemistry, 35, 1996
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6N32
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![BU of 6n32 by Molmil](/molmil-images/mine/6n32) | Anti-HIV-1 Fab 2G12 re-refinement | Descriptor: | Fab 2G12 heavy chain, Fab 2G12 light chain, SULFATE ION | Authors: | Calarese, D.A, Stanfield, R.L, Wilson, I.A. | Deposit date: | 2018-11-14 | Release date: | 2018-11-28 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Antibody domain exchange is an immunological solution to carbohydrate cluster recognition. Science, 300, 2003
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8J3M
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![BU of 8j3m by Molmil](/molmil-images/mine/8j3m) | |
8J5L
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![BU of 8j5l by Molmil](/molmil-images/mine/8j5l) | |
8J5M
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![BU of 8j5m by Molmil](/molmil-images/mine/8j5m) | |
2N6O
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![BU of 2n6o by Molmil](/molmil-images/mine/2n6o) | |
2LC2
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![BU of 2lc2 by Molmil](/molmil-images/mine/2lc2) | Solution structure of the RXLR effector P. capsici AVR3a4 | Descriptor: | AVR3a4 | Authors: | Li, H, Koshiba, S, Yaeno, T, Sato, M, Watanabe, S, Harada, T, Shirasu, K, Kigawa, T. | Deposit date: | 2011-04-12 | Release date: | 2011-08-03 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | A PIP-binding interface in the oomycete RXLR effector AVR3A is required for its accumulation in host cells to modulate plant immunity To be Published
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4ZJ1
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![BU of 4zj1 by Molmil](/molmil-images/mine/4zj1) | Crystal Structure of p-acrylamido-phenylalanine modified TEM1 beta-lactamase from Escherichia coli : V216AcrF mutant | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Beta-lactamase TEM, DI(HYDROXYETHYL)ETHER, ... | Authors: | Xiao, H, Nasertorabi, F, Choi, S, Han, G.W, Reed, S.A, Stevens, R.C, Schultz, P.G. | Deposit date: | 2015-04-28 | Release date: | 2015-05-20 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Exploring the potential impact of an expanded genetic code on protein function. Proc.Natl.Acad.Sci.USA, 112, 2015
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4ZJ2
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![BU of 4zj2 by Molmil](/molmil-images/mine/4zj2) | Crystal Structure of p-acrylamido-phenylalanine modified TEM1 beta-lactamase from Escherichia coli :E166N mutant | Descriptor: | Beta-lactamase TEM | Authors: | Xiao, H, Nasertorabi, F, Choi, S, Han, G.W, Reed, S.A, Stevens, C.S, Schultz, P.G. | Deposit date: | 2015-04-28 | Release date: | 2015-05-20 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Exploring the potential impact of an expanded genetic code on protein function. Proc.Natl.Acad.Sci.USA, 112, 2015
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4ZJ3
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![BU of 4zj3 by Molmil](/molmil-images/mine/4zj3) | Crystal structure of cephalexin bound acyl-enzyme intermediate of Val216AcrF mutant TEM1 beta-lactamase from Escherichia coli: E166N and V216AcrF mutant. | Descriptor: | Beta-lactamase TEM | Authors: | Xiao, H, Nasertorabi, F, Choi, S, Han, G.W, Reed, S.A, Stevens, R.C, Schultz, P.G. | Deposit date: | 2015-04-29 | Release date: | 2015-05-20 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Exploring the potential impact of an expanded genetic code on protein function. Proc.Natl.Acad.Sci.USA, 112, 2015
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4RS3
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![BU of 4rs3 by Molmil](/molmil-images/mine/4rs3) | Crystal structure of carbohydrate transporter A0QYB3 from Mycobacterium smegmatis str. MC2 155, target EFI-510969, in complex with xylitol | Descriptor: | ABC transporter, carbohydrate uptake transporter-2 (CUT2) family, periplasmic sugar-binding protein, ... | Authors: | Patskovsky, Y, Toro, R, Bhosle, R, Al Obaidi, N, Morisco, L.L, Wasserman, S.R, Chamala, S, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Lafleur, J, Hillerich, B, Siedel, R.D, Love, J, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2014-11-06 | Release date: | 2014-11-19 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | A General Strategy for the Discovery of Metabolic Pathways: d-Threitol, l-Threitol, and Erythritol Utilization in Mycobacterium smegmatis. J.Am.Chem.Soc., 137, 2015
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4RSM
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![BU of 4rsm by Molmil](/molmil-images/mine/4rsm) | Crystal structure of carbohydrate transporter msmeg_3599 from mycobacterium smegmatis str. mc2 155, target efi-510970, in complex with d-threitol | Descriptor: | D-Threitol, Periplasmic binding protein/LacI transcriptional regulator | Authors: | Patskovsky, Y, Toro, R, Bhosle, R, Al Obaidi, N, Morisco, L.L, Wasserman, S.R, Chamala, S, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Lafleur, J, Hillerich, B, Siedel, R.D, Love, J, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2014-11-08 | Release date: | 2014-12-10 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | A General Strategy for the Discovery of Metabolic Pathways: d-Threitol, l-Threitol, and Erythritol Utilization in Mycobacterium smegmatis. J.Am.Chem.Soc., 137, 2015
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2EWS
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![BU of 2ews by Molmil](/molmil-images/mine/2ews) | |
4G8S
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![BU of 4g8s by Molmil](/molmil-images/mine/4g8s) | Crystal Structure Of a Putative Nitroreductase from Geobacter sulfurreducens PCA (Target PSI-013445) | Descriptor: | FLAVIN MONONUCLEOTIDE, GLYCEROL, Nitroreductase family protein | Authors: | Kumar, P.R, Bhosle, R, Hillerich, B, Seidel, R, Toro, R, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2012-07-23 | Release date: | 2012-08-08 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of a nitroreductase from Geobacter sulfurreducens PCA to be published
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