4MNI
| Crystal structure of a TRAP periplasmic solute binding protein from Polaromonas sp. JS666 (Bpro_4736), Target EFI-510156, with bound benzoyl formate, space group P6522 | Descriptor: | BENZOYL-FORMIC ACID, TRAP dicarboxylate transporter-DctP subunit | Authors: | Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Zhao, S, Stead, M, Scott Glenn, A, Chowdhury, S, Evans, B, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Jacobson, M.P, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2013-09-10 | Release date: | 2013-09-25 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes. Biochemistry, 54, 2015
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4GCI
| Crystal structure of glutahtione s-transferase homolog from yersinia pestis, target EFI-501894, with bound glutathione, monoclinic form | Descriptor: | CHLORIDE ION, GLUTATHIONE, Glutathione S-transferase | Authors: | Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Armstrong, R.N, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2012-07-30 | Release date: | 2012-08-29 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystal structure of glutahtione s-transferase homolog from yersinia pestis, target EFI-501894, with bound glutathione, monoclinic form To be Published
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4G8T
| Crystal structure of a glucarate dehydratase related protein, from actinobacillus succinogenes, target EFI-502312, with sodium and sulfate bound, ordered loop | Descriptor: | (2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, GLYCEROL, ... | Authors: | Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2012-07-23 | Release date: | 2012-08-15 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structure of a glucarate dehydratase related protein, from actinobacillus succinogenes, target efi-502312, with sodium and sulfate bound, ordered loop TO BE PUBLISHED
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4MX6
| Crystal structure of a trap periplasmic solute binding protein from shewanella oneidensis (SO_3134), target EFI-510275, with bound succinate | Descriptor: | CHLORIDE ION, SUCCINIC ACID, TRAP-type C4-dicarboxylate:H+ symport system substrate-binding component DctP | Authors: | Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Zhao, S, Stead, M, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Evans, B, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Jacobson, M.P, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2013-09-25 | Release date: | 2013-10-16 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes. Biochemistry, 54, 2015
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4MK3
| Crystal structure of a glutathione transferase family member from Cupriavidus metallidurans CH34, target EFI-507362, with bound glutathione sulfinic acid (gso2h) | Descriptor: | Glutathione S-transferase, L-GAMMA-GLUTAMYL-3-SULFINO-L-ALANYLGLYCINE, MAGNESIUM ION, ... | Authors: | Toro, R, Bhosle, R, Vetting, M.W, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Stead, M, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Armstrong, R.N, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2013-09-04 | Release date: | 2013-09-18 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.501 Å) | Cite: | Crystal structure of a glutathione transferase family member from Cupriavidus metallidurans CH34, target EFI-507362, with bound glutathione sulfinic acid (gso2h) To be published
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4MNC
| Crystal structure of a TRAP periplasmic solute binding protein from Polaromonas sp. JS666 (Bpro_4736), Target EFI-510156, with bound benzoyl formate, space group P21 | Descriptor: | BENZOYL-FORMIC ACID, SULFATE ION, TRAP dicarboxylate transporter-DctP subunit | Authors: | Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Zhao, S, Stead, M, Scott Glenn, A, Chowdhury, S, Evans, B, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Jacobson, M.P, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2013-09-10 | Release date: | 2013-09-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes. Biochemistry, 54, 2015
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4MP4
| Crystal structure of a glutathione transferase family member from Acinetobacter baumannii, Target EFI-501785, apo structure | Descriptor: | Glutathione S-transferase, SULFATE ION | Authors: | Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Stead, M, Scott Glenn, A, Chowdhury, S, Evans, B, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Armstrong, R.N, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2013-09-12 | Release date: | 2013-10-09 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.498 Å) | Cite: | Crystal structure of a glutathione transferase family member from Acinetobacter baumannii, Target EFI-501785, apo structure To be Published
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4PUA
| Crystal Structure Of glutathione transferase YghU from Streptococcus pneumoniae ATCC 700669, complexed with glutathione, Target EFI-507284 | Descriptor: | GLUTATHIONE, glutathione S-transferase | Authors: | Kim, J, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Evans, B, Stead, M, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2014-03-12 | Release date: | 2014-04-09 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.708 Å) | Cite: | Crystal Structure Of glutathione transferase YghU from Streptococcus pneumoniae ATCC 700669, complexed with glutathione, Target EFI-507284 To be Published
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4Q60
| Crystal structure of a 4-hydroxyproline epimerase from Burkholderia Multivorans atcc 17616, target EFI-506586, open form, with bound pyrrole-2-carboxylate | Descriptor: | GLYCEROL, PROLINE RACEMASE, PYRROLE-2-CARBOXYLATE | Authors: | Patskovsky, Y, Toro, R, Bhosle, R, Al Obaidi, N, Sojitra, S, Stead, M, Washington, E, Glenn, A.S, Chowdhury, S, Evans, B, Hammonds, J, Hillerich, B, Love, J, Seidel, R.D, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2014-04-18 | Release date: | 2014-05-07 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | CRYSTAL STRUCTURE OF PROLINE RACEMASE Bmul_4447 FROM Burkholderia multivorans, TARGET EFI-506586 To be Published
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4GF0
| Crystal structure of glutahtione transferase homolog from sulfitobacter, TARGET EFI-501084, with bound glutathione | Descriptor: | CHLORIDE ION, GLUTATHIONE, Glutathione S-transferase | Authors: | Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Armstrong, R.N, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2012-08-02 | Release date: | 2012-08-29 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Crystal structure of glutahtione transferase homolog from sulfitobacter, TARGET EFI-501084, with bound glutathione To be Published
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4OA4
| CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM SHEWANELLA LOIHICA PV-4 (Shew_1446), TARGET EFI-510273, WITH BOUND SUCCINATE | Descriptor: | CHLORIDE ION, SUCCINIC ACID, TRAP dicarboxylate transporter, ... | Authors: | Vetting, M.W, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Stead, M, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Evans, B, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2014-01-03 | Release date: | 2014-02-05 | Last modified: | 2015-02-25 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes. Biochemistry, 54, 2015
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4G9H
| Crystal structure of glutahtione s-transferase homolog from yersinia pestis, target EFI-501894, with bound glutathione | Descriptor: | GLUTATHIONE, GLYCEROL, Glutathione S-transferase | Authors: | Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Armstrong, R.N, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2012-07-23 | Release date: | 2012-08-15 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of glutahtione s-transferase homolog from yersinia pestis, target efi-501894, with bound glutathione To be Published
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2M72
| Solution structure of uncharacterized thioredoxin-like protein PG_2175 from Porphyromonas gingivalis | Descriptor: | Uncharacterized thioredoxin-like protein | Authors: | Harris, R, Ahmed, M, Attonito, J, Bonanno, J.B, Chamala, S, Chowdhury, S, Evans, B, Fiser, A, Glenn, A.S, Hammonds, J, Hillerich, B, Khafizov, K, Lafleur, J, Love, J.D, Seidel, R.D, Stead, M, Girvin, M.E, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2013-04-16 | Release date: | 2013-05-15 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Solution structure of uncharacterized thioredoxin-like protein PG_2175 from Porphyromonas gingivalis To be Published
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3H89
| A combined crystallographic and molecular dynamics study of cathepsin-L retro-binding inhibitors(compound 4) | Descriptor: | Cathepsin L1, N~2~,N~6~-bis(biphenyl-4-ylacetyl)-L-lysyl-D-arginyl-N-(2-phenylethyl)-L-tyrosinamide | Authors: | Tulsidas, S.R, Chowdhury, S.F, Kumar, S, Joseph, L, Purisima, E.O, Sivaraman, J. | Deposit date: | 2009-04-29 | Release date: | 2009-10-20 | Last modified: | 2014-02-05 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | A combined crystallographic and molecular dynamics study of cathepsin L retrobinding inhibitors J.Med.Chem., 52, 2009
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4PXO
| Crystal structure of Maleylacetoacetate isomerase from Methylobacteriu extorquens AM1 WITH BOUND MALONATE AND GSH (TARGET EFI-507068) | Descriptor: | 1,2-ETHANEDIOL, GLUTATHIONE, MALONIC ACID, ... | Authors: | Patskovsky, Y, Toro, R, Bhosle, R, Hillerich, B, Seidel, R.D, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Imker, H.J, Al Obaidi, N, Stead, M, Love, J, Gerlt, J.A, Armstrong, R.N, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2014-03-24 | Release date: | 2014-04-09 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of glutathione s-transferase zeta from Methylobacterium extorquens (TARGET EFI-507068) To be Published
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4NAV
| Crystal structure of hypothetical protein XCC2798 from Xanthomonas campestris, Target EFI-508608 | Descriptor: | HYPOTHETICAL PROTEIN XCC279 | Authors: | Kim, J, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Washington, E, Glenn, A.S, Chowdhury, S, Evans, B, Zhao, S.C, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Stead, M, Jacobson, M.P, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2013-10-22 | Release date: | 2013-11-06 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.69 Å) | Cite: | Crystal structure of hypothetical protein XCC2798 from Xanthomonas campestris, Target EFI-508608 TO BE PUBLISHED
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4O7H
| Crystal structure of a glutathione S-transferase from Rhodospirillum rubrum F11, Target EFI-507460 | Descriptor: | Glutathione S-transferase | Authors: | Kim, J, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Stead, M, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Attonito, J.D, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2013-12-24 | Release date: | 2014-01-08 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal structure of a glutathione S-transferase from Rhodospirillum rubrum F11, Target EFI-507460 TO BE PUBLISHED
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4H83
| Crystal structure of Mandelate racemase/muconate lactonizing enzyme (EFI target:502127) | Descriptor: | BICARBONATE ION, GLYCEROL, Mandelate racemase/muconate lactonizing enzyme, ... | Authors: | Kim, J, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Stead, M, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2012-09-21 | Release date: | 2012-10-10 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.094 Å) | Cite: | Crystal structure of Mandelate racemase/muconate lactonizing enzyme To be Published
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4Q2H
| Crystal structure of probable proline racemase from agrobacterium radiobacter K84, TARGET EFI-506561, with bound carbonate | Descriptor: | BICARBONATE ION, GLYCEROL, Proline racemase protein | Authors: | Patskovsky, Y, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Stead, M, Washington, E, Glenn, A.S, Chowdhury, S, Evans, B, Hammonds, J, Hillerich, B, Love, J, Seidel, R.D, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2014-04-08 | Release date: | 2014-04-30 | Last modified: | 2024-10-30 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal Structure of Proline Racemase Arad_0731 from Agrobacterium Radiobacter, Target Efi-506561 To be Published
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2M71
| Solution structure of the a C-terminal domain of translation initiation factor IF-3 from Campylobacter jejuni | Descriptor: | Translation initiation factor IF-3 | Authors: | Harris, R, Ahmed, M, Attonito, J, Bonanno, J.B, Chamala, S, Chowdhury, S, Evans, B, Fiser, A, Glenn, A.S, Hammonds, J, Hillerich, B, Khafizov, K, Lafleur, J, Love, J.D, Seidel, R.D, Stead, M, Girvin, M.E, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2013-04-16 | Release date: | 2013-05-15 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Solution structure of the a C-terminal domain of translation initiation factor IF-3 from Campylobacter jejuni To be Published
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4WK5
| Crystal structure of a Isoprenoid Synthase family member from Thermotoga neapolitana DSM 4359, target EFI-509458 | Descriptor: | Geranyltranstransferase | Authors: | Toro, R, Bhosle, R, Vetting, M.W, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Stead, M, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hillerich, B, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Poulter, C.D, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2014-10-01 | Release date: | 2014-11-19 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structure of a Isoprenoid Synthase family member from Thermotoga neapolitana DSM 4359, target EFI-509458 To be published
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8CU6
| Crystal structure of A2AAR-StaR2-S277-bRIL in complex with a novel A2a antagonist, LJ-4517 | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2R,3R,4R)-2-[(8P)-6-amino-2-(hex-1-yn-1-yl)-8-(thiophen-2-yl)-9H-purin-9-yl]oxolane-3,4-diol, Adenosine receptor A2a,Soluble cytochrome b562, ... | Authors: | Shiriaeva, A, Park, D.-J, Kim, G, Lee, Y, Hou, X, Jarhad, D.B, Kim, G, Yu, J, Hyun, Y.E, Kim, W, Gao, Z.-G, Jacobson, K.A, Han, G.W, Stevens, R.C, Jeong, L.S, Choi, S, Cherezov, V. | Deposit date: | 2022-05-16 | Release date: | 2022-08-31 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | GPCR Agonist-to-Antagonist Conversion: Enabling the Design of Nucleoside Functional Switches for the A 2A Adenosine Receptor. J.Med.Chem., 65, 2022
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8CU7
| Crystal structure of A2AAR-StaR2-bRIL in complex with a novel A2a antagonist, LJ-4517 | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2R,3R,4R)-2-[(8P)-6-amino-2-(hex-1-yn-1-yl)-8-(thiophen-2-yl)-9H-purin-9-yl]oxolane-3,4-diol, Adenosine receptor A2a,Soluble cytochrome b562, ... | Authors: | Shiriaeva, A, Park, D.-J, Kim, G, Lee, Y, Hou, X, Jarhad, D.B, Kim, G, Yu, J, Hyun, Y.E, Kim, W, Gao, Z.-G, Jacobson, K.A, Han, G.W, Stevens, R.C, Jeong, L.S, Choi, S, Cherezov, V. | Deposit date: | 2022-05-16 | Release date: | 2022-08-31 | Last modified: | 2024-10-30 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | GPCR Agonist-to-Antagonist Conversion: Enabling the Design of Nucleoside Functional Switches for the A 2A Adenosine Receptor. J.Med.Chem., 65, 2022
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4O92
| Crystal structure of a Glutathione S-transferase from Pichia kudriavzevii (Issatchenkia orientalis), target EFI-501747 | Descriptor: | Glutathione S-transferase, SULFATE ION | Authors: | Kim, J, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Washington, E, Glenn, A.S, Chowdhury, S, Evans, B, Stead, M, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Attonito, J.D, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2013-12-31 | Release date: | 2014-01-15 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | Crystal structure of a Glutathione S-transferase from Pichia kudriavzevii (Issatchenkia orientalis), target EFI-501747 TO BE PUBLISHED
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6SM2
| Mutant immunoglobulin light chain causing amyloidosis (Pat-1) | Descriptor: | Pat-1 | Authors: | Kazman, P, Vielberg, M.-T, Cendales, M.D.P, Hunziger, L, Weber, B, Hegenbart, U, Zacharias, M, Koehler, R, Schoenland, S, Groll, M, Buchner, J. | Deposit date: | 2019-08-21 | Release date: | 2020-03-18 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Fatal amyloid formation in a patient's antibody light chain is caused by a single point mutation. Elife, 9, 2020
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