4ZQ8
 
 | | Crystal structure of a terpene synthase from Streptomyces lydicus, target EFI-540129 | | Descriptor: | Isoprenoid Synthase | | 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: | 2015-05-08 | | Release date: | 2015-07-08 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of a terpene synthase from Streptomyces lydicus, target EFI-540129
To be published
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4XEQ
 | | CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM DESULFOVIBRIO VULGARIS (Deval_0042, TARGET EFI-510114) BOUND TO COPURIFIED (R)-PANTOIC ACID | | Descriptor: | PANTOATE, TRAP dicarboxylate transporter, DctP subunit | | Authors: | 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: | 2014-12-24 | | Release date: | 2015-01-28 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM DESULFOVIBRIO VULGARIS (Deval_0042, TARGET EFI-510114) BOUND TO COPURIFIED (R)-PANTOIC ACID
To be published
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4XAP
 | | Crystal structure of aldo-keto reductase from Sinorhizobium meliloti 1021 | | Descriptor: | Aldo-keto reductase | | Authors: | Gasiorowska, O.A, Handing, K.B, Shabalin, I.G, Bonanno, J, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2014-12-15 | | Release date: | 2014-12-31 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | Crystal structure of aldo-keto reductase from Sinorhizobium meliloti 1021
to be published
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4XF5
 | | Crystal structure of a TRAP periplasmic solute binding protein from Chromohalobacter salexigens DSM 3043 (Csal_0678), Target EFI-501078, with bound (S)-(+)-2-Amino-1-propanol. | | Descriptor: | (2S)-2-aminopropan-1-ol, CHLORIDE ION, Twin-arginine translocation pathway signal | | Authors: | 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: | 2014-12-26 | | Release date: | 2015-01-28 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Crystal structure of a TRAP periplasmic solute binding protein from Chromohalobacter salexigens DSM 3043 (Csal_0678), Target EFI-501078, with bound (S)-(+)-2-Amino-1-propanol.
To be published
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4Z18
 | | CRYSTAL STRUCTURE OF HUMAN PD-L1 | | Descriptor: | CHLORIDE ION, Programmed cell death 1 ligand 1 | | Authors: | Fedorov, A.A, Fedorov, E.V, Samantha, D, Hillerich, B, Seidel, R.D, Almo, S.C. | | Deposit date: | 2015-03-27 | | Release date: | 2015-04-15 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.952 Å) | | Cite: | CRYSTAL STRUCTURE OF HUMAN PD-L1
To Be Published
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4YZZ
 | | Crystal structure of a TRAP transporter solute binding protein (IPR025997) from Bordetella bronchiseptica RB50 (BB0280, TARGET EFI-500035) mixed occupancy dimer, copurified calcium and picolinate bound active site versus apo site | | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Vetting, M.W, Al Obaidi, N.F, Toro, R, Morisco, L.L, Benach, J, Koss, 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: | 2015-03-25 | | Release date: | 2015-05-20 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Crystal structure of a TRAP transporter solute binding protein (IPR025997) from Bordetella bronchiseptica RB50 (BB0280, TARGET EFI-500035) mixed occupancy dimer, copurified calcium and picolinate bound active site versus apo site
To be published
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4ZJP
 | | Structure of an ABC-Transporter Solute Binding Protein (SBP_IPR025997) from Actinobacillus Succinogenes (Asuc_0197, TARGET EFI-511067) with bound beta-D-ribopyranose | | Descriptor: | 1,2-ETHANEDIOL, Monosaccharide-transporting ATPase, beta-D-ribopyranose | | Authors: | Yadava, U, Vetting, M.W, Al Obaidi, N.F, Toro, R, Morisco, L.L, Benach, J, Wasserman, S.R, Attonito, J.D, Glenn, A.S, 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: | 2015-04-29 | | Release date: | 2015-05-20 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Structure of an ABC-Transporter Solute Binding Protein (SBP_IPR025997) from Actinobacillus Succinogenes (Asuc_0197, TARGET EFI-511067) with bound beta-D-ribopyranose
To be published
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5DK6
 | | CRYSTAL STRUCTURE OF A 5'-METHYLTHIOADENOSINE/S-ADENOSYLHOMOCYSTEINE (MTA/SAH) NUCLEOSIDASE (MTAN) FROM COLWELLIA PSYCHRERYTHRAEA 34H (CPS_4743, TARGET PSI-029300) IN COMPLEX WITH ADENINE AT 2.27 A RESOLUTION | | Descriptor: | 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase, ADENINE, GLYCINE | | Authors: | Himmel, D.M, Bhosle, R, Toro, R, Ahmed, M, Hillerich, B, Gizzi, A, Garforth, S, Kar, A, Chan, M.K, Lafluer, J, Patel, H, Matikainen, B, Chamala, S, Lim, S, Celikgil, A, Villegas, G, Evans, B, Love, J, Fiser, A, Seidel, R.D, Bonanno, J.B, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2015-09-03 | | Release date: | 2015-11-04 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | CRYSTAL STRUCTURE OF A 5'-METHYLTHIOADENOSINE/S-ADENOSYLHOMOCYSTEINE (MTA/SAH)NUCLEOSIDASE (MTAN) FROM COLWELLIA PSYCHRERYTHRAEA 34H (CPS_4743, TARGET PSI-029300) IN COMPLEX WITH ADENINE AT 2.27 A RESOLUTION
To be published
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1NLX
 | | Crystal Structure of PHL P 6, A Major Timothy Grass Pollen Allergen Co-Crystallized with Zinc | | Descriptor: | ARSENIC, Pollen allergen Phl p 6, ZINC ION | | Authors: | Fedorov, A.A, Ball, T, Fedorov, E.V, Vrtala, S, Valenta, R, Almo, S.C, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2003-01-07 | | Release date: | 2003-01-21 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal Structure oh Phl p 6, a major timothy grass pollen allergen co-crystallized with Zinc
To be Published
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6ARB
 | | CRYSTAL STRUCTURE OF PROTEIN CitE FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH MAGNESIUM, PYRUVATE AND COENZYME A | | Descriptor: | COENZYME A, Citrate lyase subunit beta-like protein, GLYCEROL, ... | | Authors: | Fedorov, A.A, Fedorov, E.V, Wang, H, Bonanno, J.B, Carvalho, L, Almo, S.C. | | Deposit date: | 2017-08-22 | | Release date: | 2018-08-01 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.717 Å) | | Cite: | An essential bifunctional enzyme inMycobacterium tuberculosisfor itaconate dissimilation and leucine catabolism.
Proc.Natl.Acad.Sci.USA, 116, 2019
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6AS5
 | | CRYSTAL STRUCTURE OF PROTEIN CitE FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH MAGNESIUM, ACETOACETATE AND COENZYME A | | Descriptor: | ACETOACETIC ACID, COENZYME A, Citrate lyase subunit beta-like protein, ... | | Authors: | Fedorov, A.A, Fedorov, E.V, Wang, H, Bonanno, J.B, Carvalho, L, Almo, S.C. | | Deposit date: | 2017-08-23 | | Release date: | 2018-08-01 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.035 Å) | | Cite: | An essential bifunctional enzyme inMycobacterium tuberculosisfor itaconate dissimilation and leucine catabolism.
Proc.Natl.Acad.Sci.USA, 116, 2019
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6CJ4
 | | CRYSTAL STRUCTURE OF PROTEIN CITE FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH MAGNESIUM AND ACETOACETATE | | Descriptor: | ACETATE ION, ACETOACETIC ACID, Citrate lyase subunit beta-like protein, ... | | Authors: | Fedorov, A.A, Fedorov, E.V, Wang, H, Bonanno, J.B, Carvalho, L, Almo, S.C. | | Deposit date: | 2018-02-26 | | Release date: | 2018-08-01 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | An essential bifunctional enzyme inMycobacterium tuberculosisfor itaconate dissimilation and leucine catabolism.
Proc.Natl.Acad.Sci.USA, 116, 2019
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6CHU
 | | CRYSTAL STRUCTURE OF PROTEIN CITE FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH MAGNESIUM AND ACETATE | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Citrate lyase subunit beta-like protein, ... | | Authors: | Fedorov, A.A, Fedorov, E.V, Wang, H, Bonanno, J.B, Carvalho, L, Almo, S.C. | | Deposit date: | 2018-02-23 | | Release date: | 2018-08-01 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.61 Å) | | Cite: | An essential bifunctional enzyme inMycobacterium tuberculosisfor itaconate dissimilation and leucine catabolism.
Proc.Natl.Acad.Sci.USA, 116, 2019
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6CJ3
 | | CRYSTAL STRUCTURE OF PROTEIN CITE FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH MAGNESIUM AND PYRUVATE | | Descriptor: | ACETATE ION, Citrate lyase subunit beta-like protein, MAGNESIUM ION, ... | | Authors: | Fedorov, E.V, Fedorov, A.A, Wang, H, Bonanno, J.B, Carvalho, L, Almo, S.C. | | Deposit date: | 2018-02-26 | | Release date: | 2018-08-01 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | An essential bifunctional enzyme inMycobacterium tuberculosisfor itaconate dissimilation and leucine catabolism.
Proc.Natl.Acad.Sci.USA, 116, 2019
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6AQ4
 | | CRYSTAL STRUCTURE OF PROTEIN CiTE FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH MAGNESIUM, PYRUVATE AND CITRAMALYL-COA | | Descriptor: | CHLORIDE ION, Citramalyl-CoA, Citrate lyase subunit beta-like protein, ... | | Authors: | Fedorov, A.A, Fedorov, E.V, Wang, H, Bonanno, J.B, Carvalho, L, Almo, S.C. | | Deposit date: | 2017-08-18 | | Release date: | 2018-08-01 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.825 Å) | | Cite: | An essential bifunctional enzyme inMycobacterium tuberculosisfor itaconate dissimilation and leucine catabolism.
Proc.Natl.Acad.Sci.USA, 116, 2019
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5DXW
 | | Crystal structure of mouse PD-L1 nanobody | | Descriptor: | PD-L1 nanobody, SULFATE ION | | Authors: | Fedorov, A.A, Fedorov, E.V, Samanta, D, Almo, S.C, Ploegh, H, Ingram, J, Dougan, M. | | Deposit date: | 2015-09-24 | | Release date: | 2015-10-07 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.441 Å) | | Cite: | Crystal structure of mouse PD-L1 nanobody
To Be Published
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5E03
 | | Crystal structure of mouse CTLA-4 nanobody | | Descriptor: | CTLA-4 nanobody, SULFATE ION | | Authors: | Fedorov, A.A, Fedorov, E.V, Samanta, D, Bonanno, J.B, Almo, S.C. | | Deposit date: | 2015-09-28 | | Release date: | 2015-10-07 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.685 Å) | | Cite: | Crystal structure of mouse CTLA-4 nanobody
To Be Published
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5ESR
 | | Crystal structure of haloalkane dehalogenase (DccA) from Caulobacter crescentus | | Descriptor: | CHLORIDE ION, COBALT (II) ION, Haloalkane dehalogenase, ... | | Authors: | Malashkevich, V.N, Toro, R, Mundorff, E.C, Almo, S.C. | | Deposit date: | 2015-11-17 | | Release date: | 2016-06-01 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.476 Å) | | Cite: | Biochemical characterization of two haloalkane dehalogenases: DccA from Caulobacter crescentus and DsaA from Saccharomonospora azurea.
Protein Sci., 25, 2016
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5HQJ
 | | Crystal structure of ABC transporter Solute Binding Protein B1G1H7 from Burkholderia graminis C4D1M, target EFI-511179, in complex with D-arabinose | | Descriptor: | CHLORIDE ION, Periplasmic binding protein/LacI transcriptional regulator, alpha-D-arabinopyranose | | Authors: | Roth, Y, Vetting, M.W, Al Obaidi, N.F, Toro, R, Morisco, L.L, Benach, J, Koss, J, Wasserman, S.R, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2016-01-21 | | Release date: | 2016-03-02 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Crystal structure of ABC transporter Solute Binding Protein B1G1H7 from Burkholderia graminis C4D1M, target EFI-511179, in complex with D-arabinose
To be published
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5HFK
 | | CRYSTAL STRUCTURE OF A GLUTATHIONE S-TRANSFERASE PROTEIN FROM ESCHERICHIA COLI OCh 157:H7 STR. SAKAI (ECs3186, TARGET EFI-507414) WITH BOUND GLUTATHIONE | | Descriptor: | Disulfide-bond oxidoreductase YfcG, GLUTATHIONE | | Authors: | Himmel, D.M, Toro, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Stead, M, Attonito, J.D, Scott Glenn, A, Chamala, S, Chowdhury, S, Lafleur, J, Evans, B, Hillerich, B, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI), New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2016-01-07 | | Release date: | 2016-02-10 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.551 Å) | | Cite: | CRYSTAL STRUCTURE OF A GLUTATHIONE S-TRANSFERASE PROTEIN FROM ESCHERICHIA COLI OCh 157:H7 STR. SAKAI (ECs3186, TARGET EFI-507414) WITH BOUND GLUTATHIONE
TO BE PUBLISHED
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5TRU
 | | Structure of the first-in-class checkpoint inhibitor Ipilimumab bound to human CTLA-4 | | Descriptor: | Cytotoxic T-lymphocyte protein 4, Ipilimumab Fab heavy chain, Ipilimumab Fab light chain | | Authors: | Ramagopal, U.A, Liu, W, Garrett-Thomson, S.C, Yan, Q, Srinivasan, M, Wong, S.C, Bell, A, Mankikar, S, Rangan, V.S, Deshpande, S, Bonanno, J.B, Korman, A.J, Almo, S.C. | | Deposit date: | 2016-10-27 | | Release date: | 2017-05-10 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural basis for cancer immunotherapy by the first-in-class checkpoint inhibitor ipilimumab.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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1NCN
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1QPV
 | | YEAST COFILIN | | Descriptor: | YEAST COFILIN | | Authors: | Fedorov, A.A, Lappalainen, P, Fedorov, E.V, Drubin, D.G, Almo, S.C. | | Deposit date: | 1999-05-29 | | Release date: | 1999-06-08 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structure determination of yeast cofilin.
Nat.Struct.Biol., 4, 1997
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4YNB
 | | Crystal structure of Helicobacter pylori 5'-methylthioadenosine/S-adenosyl homocysteine nucleosidase (MTAN) complexed with pyrazinylthio-DADMe-Immucillin-A | | Descriptor: | (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[(pyrazin-2-ylsulfanyl)methyl]pyrrolidin-3-ol, Aminodeoxyfutalosine nucleosidase, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Cameron, S.A, Wang, S, Almo, S.C, Schramm, V.L. | | Deposit date: | 2015-03-09 | | Release date: | 2015-11-25 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | New Antibiotic Candidates against Helicobacter pylori.
J.Am.Chem.Soc., 137, 2015
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4YO8
 | | Crystal structure of Helicobacter pylori 5'-methylthioadenosine/S-adenosyl homocysteine nucleosidase (MTAN) complexed with (((4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl)(hexyl)amino)methanol | | Descriptor: | Aminodeoxyfutalosine nucleosidase, ZINC ION, {[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl](hexyl)amino}methanol | | Authors: | Cameron, S.A, Wang, S, Almo, S.C, Schramm, V.L. | | Deposit date: | 2015-03-11 | | Release date: | 2015-11-25 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | New Antibiotic Candidates against Helicobacter pylori.
J.Am.Chem.Soc., 137, 2015
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