3R0R
 
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7MJ0
 | | LarB, a carboxylase/hydrolase involved in synthesis of the cofactor for lactate racemase, in complex with adenosine monophosphate AMP | | 分子名称: | ADENOSINE MONOPHOSPHATE, MAGNESIUM ION, Pyridinium-3,5-biscarboxylic acid mononucleotide synthase | | 著者 | Chatterjee, S, Rankin, J.A, Lagishetty, S, Hu, J, Hausinger, R.P. | | 登録日 | 2021-04-19 | | 公開日 | 2021-09-29 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (3.01 Å) | | 主引用文献 | The LarB carboxylase/hydrolase forms a transient cysteinyl-pyridine intermediate during nickel-pincer nucleotide cofactor biosynthesis.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7MH2
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7MJ1
 | | LarB, a carboxylase/hydrolase involved in synthesis of the cofactor for lactate racemase, in complex with NAD | | 分子名称: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, MAGNESIUM ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | 著者 | Chatterjee, S, Rankin, J.A, Lagishetty, S, Hu, J, Hausinger, R.P. | | 登録日 | 2021-04-19 | | 公開日 | 2021-09-29 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (3.402 Å) | | 主引用文献 | The LarB carboxylase/hydrolase forms a transient cysteinyl-pyridine intermediate during nickel-pincer nucleotide cofactor biosynthesis.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7MJ2
 | | LarB, a carboxylase/hydrolase involved in synthesis of the cofactor for lactate racemase, in complex with Zn | | 分子名称: | MAGNESIUM ION, Pyridinium-3,5-biscarboxylic acid mononucleotide synthase, ZINC ION | | 著者 | Chatterjee, S, Rankin, J.A, Lagishetty, S, Hu, J, Hausinger, R.P. | | 登録日 | 2021-04-19 | | 公開日 | 2021-09-29 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | The LarB carboxylase/hydrolase forms a transient cysteinyl-pyridine intermediate during nickel-pincer nucleotide cofactor biosynthesis.
Proc.Natl.Acad.Sci.USA, 118, 2021
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3R1Z
 | | Crystal structure of NYSGRC enolase target 200555, a putative dipeptide epimerase from Francisella philomiragia : Complex with L-Ala-L-Glu and L-Ala-D-Glu | | 分子名称: | ALANINE, D-GLUTAMIC ACID, Enzyme of enolase superfamily, ... | | 著者 | Vetting, M.W, Hillerich, B, Seidel, R.D, Zencheck, W.D, Toro, R, Imker, H.J, Gerlt, J.A, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | | 登録日 | 2011-03-11 | | 公開日 | 2011-04-20 | | 最終更新日 | 2012-03-28 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Homology models guide discovery of diverse enzyme specificities among dipeptide epimerases in the enolase superfamily.
Proc.Natl.Acad.Sci.USA, 109, 2012
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3R3O
 | | Crystal structure of Staphylococcal nuclease variant Delta+PHS T62A at cryogenic temperature and with high redundancy | | 分子名称: | CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease | | 著者 | Caro, J.A, Schlessman, J.L, Garcia-Moreno E, B. | | 登録日 | 2011-03-16 | | 公開日 | 2011-03-30 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Cavities determine the pressure unfolding of proteins.
Proc.Natl.Acad.Sci.USA, 109, 2012
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3TNH
 | | CDK9/cyclin T in complex with CAN508 | | 分子名称: | 4-[(E)-(3,5-DIAMINO-1H-PYRAZOL-4-YL)DIAZENYL]PHENOL, Cyclin-T1, Cyclin-dependent kinase 9 | | 著者 | Baumli, S, Hole, A.J, Endicott, J.A. | | 登録日 | 2011-09-01 | | 公開日 | 2012-02-15 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (3.202 Å) | | 主引用文献 | The CDK9 C-helix Exhibits Conformational Plasticity That May Explain the Selectivity of CAN508.
Acs Chem.Biol., 7, 2012
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3TW9
 | | Crystal structure of gluconate dehydratase (TARGET EFI-501679) from Salmonella enterica subsp. enterica serovar Enteritidis str. P125109 | | 分子名称: | CHLORIDE ION, GLYCEROL, Putative dehydratase | | 著者 | Patskovsky, Y, Toro, R, Bhosle, R, Hillerich, B, Seidel, R.D, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Zencheck, W.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | 登録日 | 2011-09-21 | | 公開日 | 2011-10-26 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Crystal Structure of Gluconate Dehydratase from Salmonella Enterica P125109
To be Published
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3UAR
 | | Crystal structure of glutathione transferase (TARGET EFI-501774) from methylococcus capsulatus str. bath with gsh bound | | 分子名称: | GLUTATHIONE, GLYCEROL, Glutathione S-transferase | | 著者 | Patskovsky, Y, Toro, R, Bhosle, R, Zencheck, W.D, Hillerich, B, Seidel, R.D, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Imker, H.J, Armstrong, R.N, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | 登録日 | 2011-10-21 | | 公開日 | 2011-11-02 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Crystal Structure of Glutathione S-Transferase from Methylococcus Capsulatus
To be Published
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3TWF
 | | Crystal structure of the de novo designed fluorinated peptide alpha4F3a | | 分子名称: | ACETYL GROUP, SODIUM ION, TRIETHYLENE GLYCOL, ... | | 著者 | Buer, B.C, Meagher, J.L, Stuckey, J.A, Marsh, E.N.G. | | 登録日 | 2011-09-21 | | 公開日 | 2012-03-14 | | 最終更新日 | 2017-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.54 Å) | | 主引用文献 | Structural basis for the enhanced stability of highly fluorinated proteins.
Proc.Natl.Acad.Sci.USA, 109, 2012
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3UBL
 | | Crystal structure of glutathione transferase (TARGET EFI-501770) from leptospira interrogans with gsh bound | | 分子名称: | CHLORIDE ION, GLUTATHIONE, GLYCEROL, ... | | 著者 | Patskovsky, Y, Toro, R, Bhosle, R, Zencheck, W.D, Hillerich, B, Seidel, R.D, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Imker, H.J, Armstrong, R.N, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | 登録日 | 2011-10-24 | | 公開日 | 2011-11-09 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Crystal Structure of Glutathione S-Transferase from Leptospira Interrogans
To be Published
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3RCM
 | | crystal structure of EFI target 500140:TatD family hydrolase from Pseudomonas putida | | 分子名称: | ACETATE ION, CITRIC ACID, TatD family hydrolase, ... | | 著者 | Kim, J, Toro, R, Hillerich, B, Seidel, R.D, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | 登録日 | 2011-03-31 | | 公開日 | 2011-04-20 | | 最終更新日 | 2018-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | crystal structure of EFI target 500140:TatD family hydrolase from Pseudomonas putida
TO BE PUBLISHED
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3RIT
 | | Crystal structure of Dipeptide Epimerase from Methylococcus capsulatus complexed with Mg and dipeptide L-Arg-D-Lys | | 分子名称: | ARGININE, D-LYSINE, Dipeptide epimerase, ... | | 著者 | Lukk, T, Sakai, A, Song, L, Gerlt, J.A, Nair, S.K. | | 登録日 | 2011-04-14 | | 公開日 | 2011-04-27 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.701 Å) | | 主引用文献 | Homology models guide discovery of diverse enzyme specificities among dipeptide epimerases in the enolase superfamily.
Proc.Natl.Acad.Sci.USA, 109, 2012
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3RG2
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3RRA
 | | Crystal structure of enolase PRK14017 (target EFI-500653) from Ralstonia pickettii 12J with magnesium bound | | 分子名称: | CHLORIDE ION, MAGNESIUM ION, Putative D-galactonate dehydratase | | 著者 | Patskovsky, Y, Ramagopal, U.A, Hillerich, B, Seidel, R.D, Zencheck, W.D, Toro, R, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | 登録日 | 2011-04-29 | | 公開日 | 2011-05-11 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Crystal structure of enolase PRK14017 from Ralstonia pickettii
To be Published
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7LAE
 | | CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) COMPLEX WITH Compound-4 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 7-{[1-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl}-1H-[1,2,3]triazolo[4,5-b]pyridin-5-amine, ... | | 著者 | Khan, J.A. | | 登録日 | 2021-01-06 | | 公開日 | 2021-04-21 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.97 Å) | | 主引用文献 | Small molecule and macrocyclic pyrazole derived inhibitors of myeloperoxidase (MPO).
Bioorg.Med.Chem.Lett., 42, 2021
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7LAG
 | | CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) COMPLEX WITH Compound-14 AKA 7-({1-[(3-phenoxyphenyl)methyl]-1H-pyrazol-4-yl}methyl)-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 7-({1-[(3-phenoxyphenyl)methyl]-1H-pyrazol-4-yl}methyl)-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine, ... | | 著者 | Khan, J.A. | | 登録日 | 2021-01-06 | | 公開日 | 2021-04-21 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | | 主引用文献 | Small molecule and macrocyclic pyrazole derived inhibitors of myeloperoxidase (MPO).
Bioorg.Med.Chem.Lett., 42, 2021
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7LAN
 | | CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) COMPLEX WITH COMPOUND-30 AKA 7-[(3~{S},4~{R},6~{R})-4-benzyl-2-oxa-7,13,14-triazatetracyclo[14.3.1.1^{3,6}.1^{11,14}]docosa-1(19),11(21),12,16(20),17-pentaen-10-yl]-3~{H}-triazolo[4,5-b]pyridin-5-amine | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 7-[(3R,4S,6S,10R)-4-benzyl-2-oxa-7,13,14-triazatetracyclo[14.3.1.1~3,6~.1~11,14~]docosa-1(20),11(21),12,16,18-pentaen-10-yl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine, ... | | 著者 | Khan, J.A. | | 登録日 | 2021-01-06 | | 公開日 | 2021-04-21 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.28 Å) | | 主引用文献 | Small molecule and macrocyclic pyrazole derived inhibitors of myeloperoxidase (MPO).
Bioorg.Med.Chem.Lett., 42, 2021
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7LAL
 | | CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) COMPLEX WITH COMPOUND-18 AKA 7-(3-(2,3-DIHYDRO-1H-INDEN-1-YLAMINO)-1-PHENYLPROPYL)-1H-[1,2,3]TRIAZOLO[4,5-B]PYRIDIN-5-AMINE | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 7-[(1R)-3-{[(1R)-2,3-dihydro-1H-inden-1-yl]amino}-1-phenylpropyl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine, ... | | 著者 | Khan, J.A. | | 登録日 | 2021-01-06 | | 公開日 | 2021-04-21 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | | 主引用文献 | Small molecule and macrocyclic pyrazole derived inhibitors of myeloperoxidase (MPO).
Bioorg.Med.Chem.Lett., 42, 2021
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3RGT
 | | Crystal structure of d-mannonate dehydratase from Chromohalobacter salexigens complexed with D-Arabinohydroxamate | | 分子名称: | (2S,3R,4R)-2,3,4,5-tetrahydroxy-N-oxo-pentanamide, COBALT (II) ION, D-mannonate dehydratase | | 著者 | Fedorov, A.A, Fedorov, E.V, Wichelecki, D, Gerlt, J.A, Almo, S.C. | | 登録日 | 2011-04-09 | | 公開日 | 2012-04-11 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Crystal structure of d-mannonate dehydratase from Chromohalobacter salexigens complexed with d-arabinohydroxamate
To be Published
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7MP3
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7MFE
 | | Autoinhibited BRAF:(14-3-3)2 complex with the BRAF RBD resolved | | 分子名称: | 14-3-3 protein zeta/delta, Serine/threonine-protein kinase B-raf, ZINC ION | | 著者 | Martinez Fiesco, J.A, Ping, Z, Durrant, D.E, Morrison, D.K. | | 登録日 | 2021-04-09 | | 公開日 | 2022-01-26 | | 最終更新日 | 2022-02-09 | | 実験手法 | ELECTRON MICROSCOPY (4.07 Å) | | 主引用文献 | Structural insights into the BRAF monomer-to-dimer transition mediated by RAS binding.
Nat Commun, 13, 2022
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7MFF
 | | Dimeric (BRAF)2:(14-3-3)2 complex bound to SB590885 Inhibitor | | 分子名称: | (1Z)-5-(2-{4-[2-(DIMETHYLAMINO)ETHOXY]PHENYL}-5-PYRIDIN-4-YL-1H-IMIDAZOL-4-YL)INDAN-1-ONE OXIME, 14-3-3 protein zeta/delta, Serine/threonine-protein kinase B-raf | | 著者 | Martinez Fiesco, J.A, Ping, Z, Durrant, D.E, Morrison, D.K. | | 登録日 | 2021-04-09 | | 公開日 | 2022-01-26 | | 最終更新日 | 2022-02-09 | | 実験手法 | ELECTRON MICROSCOPY (3.89 Å) | | 主引用文献 | Structural insights into the BRAF monomer-to-dimer transition mediated by RAS binding.
Nat Commun, 13, 2022
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7MFD
 | | Autoinhibited BRAF:(14-3-3)2:MEK complex with the BRAF RBD resolved | | 分子名称: | 14-3-3 protein zeta/delta, Dual specificity mitogen-activated protein kinase kinase 1, N-(3-fluoro-4-{[4-methyl-2-oxo-7-(pyrimidin-2-yloxy)-2H-chromen-3-yl]methyl}pyridin-2-yl)-N'-methylsulfuric diamide, ... | | 著者 | Martinez Fiesco, J.A, Ping, Z, Durrant, D.E, Morrison, D.K. | | 登録日 | 2021-04-09 | | 公開日 | 2022-01-26 | | 最終更新日 | 2022-02-09 | | 実験手法 | ELECTRON MICROSCOPY (3.66 Å) | | 主引用文献 | Structural insights into the BRAF monomer-to-dimer transition mediated by RAS binding.
Nat Commun, 13, 2022
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