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5TCI
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BU of 5tci by Molmil
Crystal structure of tryptophan synthase from M. tuberculosis - BRD4592-bound form
分子名称: (2R,3S,4R)-3-(2'-fluoro[1,1'-biphenyl]-4-yl)-4-(hydroxymethyl)azetidine-2-carbonitrile, FORMIC ACID, MALONATE ION, ...
著者Michalska, K, Maltseva, N, Jedrzejczak, R, Wellington, S, Nag, P.P, Fisher, S.L, Schreiber, S.L, Hung, D.T, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2016-09-15
公開日2017-05-31
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献A small-molecule allosteric inhibitor of Mycobacterium tuberculosis tryptophan synthase.
Nat. Chem. Biol., 13, 2017
5TCH
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Crystal structure of tryptophan synthase from M. tuberculosis - ligand-free form, TrpA-G66V mutant
分子名称: FORMIC ACID, MALONATE ION, Tryptophan synthase alpha chain, ...
著者Michalska, K, Maltseva, N, Jedrzejczak, R, Wellington, S, Nag, P.P, Fisher, S.L, Schreiber, S.L, Hung, D.T, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2016-09-15
公開日2017-05-31
最終更新日2022-04-13
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献A small-molecule allosteric inhibitor of Mycobacterium tuberculosis tryptophan synthase.
Nat. Chem. Biol., 13, 2017
5TCJ
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Crystal structure of tryptophan synthase from M. tuberculosis - aminoacrylate and BRD4592-bound form
分子名称: (2R,3S,4R)-3-(2'-fluoro[1,1'-biphenyl]-4-yl)-4-(hydroxymethyl)azetidine-2-carbonitrile, 2-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)AMINO]ACRYLIC ACID, CESIUM ION, ...
著者Michalska, K, Maltseva, N, Jedrzejczak, R, Wellington, S, Nag, P.P, Fisher, S.L, Schreiber, S.L, Hung, D.T, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2016-09-15
公開日2017-05-31
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献A small-molecule allosteric inhibitor of Mycobacterium tuberculosis tryptophan synthase.
Nat. Chem. Biol., 13, 2017
1PBK
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HOMOLOGOUS DOMAIN OF HUMAN FKBP25
分子名称: FKBP25, RAPAMYCIN IMMUNOSUPPRESSANT DRUG
著者Liang, J, Hung, D.T, Schreiber, S.L, Clardy, J.
登録日1995-09-01
公開日1996-10-14
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure of the human 25 kDa FK506 binding protein complexed with rapamycin.
J.Am.Chem.Soc., 118, 1996
7UMW
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BU of 7umw by Molmil
Crystal structure of E. Coli FabI in complex with NAD and Fabimycin ((S,E)-3-(7-amino-8-oxo-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepin-3-yl)-N-methyl-N-((3-methylbenzofuran-2-yl)methyl)acrylamide)
分子名称: (2E)-3-[(7S)-7-amino-8-oxo-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepin-3-yl]-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]prop-2-enamide, Enoyl-[acyl-carrier-protein] reductase [NADH] FabI, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Hajian, B.
登録日2022-04-08
公開日2022-12-14
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献An Iterative Approach Guides Discovery of the FabI Inhibitor Fabimycin, a Late-Stage Antibiotic Candidate with In Vivo Efficacy against Drug-Resistant Gram-Negative Infections
Acs Cent.Sci., 8, 2022
5TCG
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BU of 5tcg by Molmil
Crystal structure of tryptophan synthase from M. tuberculosis - aminoacrylate-bound form
分子名称: 2-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)AMINO]ACRYLIC ACID, CESIUM ION, FORMIC ACID, ...
著者Michalska, K, Maltseva, N, Jedrzejczak, R, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2016-09-15
公開日2017-05-31
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献A small-molecule allosteric inhibitor of Mycobacterium tuberculosis tryptophan synthase.
Nat. Chem. Biol., 13, 2017
5TCF
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Crystal structure of tryptophan synthase from M. tuberculosis - ligand-free form
分子名称: FORMIC ACID, MALONATE ION, POTASSIUM ION, ...
著者Michalska, K, Maltseva, N, Jedrzejczak, R, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2016-09-15
公開日2017-05-31
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.46 Å)
主引用文献A small-molecule allosteric inhibitor of Mycobacterium tuberculosis tryptophan synthase.
Nat. Chem. Biol., 13, 2017
6V82
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Crystal structure of tryptophan synthase from Chlamydia trachomatis D/UW-3/CX
分子名称: SULFATE ION, Tryptophan synthase alpha chain, Tryptophan synthase beta chain, ...
著者Michalska, K, Maltseva, N, Jedrzejczak, R, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2019-12-10
公開日2020-12-16
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.424 Å)
主引用文献Catalytically impaired TrpA subunit of tryptophan synthase from Chlamydia trachomatis is an allosteric regulator of TrpB.
Protein Sci., 30, 2021
5KIN
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BU of 5kin by Molmil
Crystal structure of tryptophan synthase alpha beta complex from Streptococcus pneumoniae
分子名称: GLYCEROL, Tryptophan synthase alpha chain, Tryptophan synthase beta chain
著者Chang, C, Michalska, K, Bigelow, L, Jedrzejczak, R, ANDERSON, W.F, JOACHIMIAK, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2016-06-16
公開日2016-07-06
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Conservation of the structure and function of bacterial tryptophan synthases.
Iucrj, 6, 2019
5KZM
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BU of 5kzm by Molmil
Crystal structure of Tryptophan synthase alpha-beta chain complex from Francisella tularensis
分子名称: ACETATE ION, CALCIUM ION, Tryptophan synthase alpha chain, ...
著者Chang, C, Michalska, K, Joachimiak, G, Jedrzejczak, R, ANDERSON, W.F, JOACHIMIAK, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2016-07-25
公開日2016-08-10
最終更新日2019-09-18
実験手法X-RAY DIFFRACTION (2.804 Å)
主引用文献Conservation of the structure and function of bacterial tryptophan synthases.
Iucrj, 6, 2019
7UMX
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BU of 7umx by Molmil
Crystal structure of Acinetobacter baumannii FabI in complex with NAD and (R,E)-3-(7-amino-8-oxo-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepin-3-yl)-N-methyl-N-((3-methylbenzofuran-2-yl)methyl)acrylamide
分子名称: (2E)-3-[(7R)-7-amino-8-oxo-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepin-3-yl]-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]prop-2-enamide, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Hajian, B.
登録日2022-04-08
公開日2023-02-15
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献An Iterative Approach Guides Discovery of the FabI Inhibitor Fabimycin, a Late-Stage Antibiotic Candidate with In Vivo Efficacy against Drug-Resistant Gram-Negative Infections
Acs Cent.Sci., 8, 2022
7UM8
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BU of 7um8 by Molmil
Crystal structure of E. Coli FabI in complex with NAD and (R,E)-3-(7-amino-8-oxo-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepin-3-yl)-N-methyl-N-((3-methylbenzofuran-2-yl)methyl)acrylamide
分子名称: (2E)-3-[(7R)-7-amino-8-oxo-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepin-3-yl]-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]prop-2-enamide, Enoyl-[acyl-carrier-protein] reductase [NADH] FabI, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Hajian, B.
登録日2022-04-06
公開日2023-02-15
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献An Iterative Approach Guides Discovery of the FabI Inhibitor Fabimycin, a Late-Stage Antibiotic Candidate with In Vivo Efficacy against Drug-Resistant Gram-Negative Infections
Acs Cent.Sci., 8, 2022
7UMY
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BU of 7umy by Molmil
Crystal structure of Acinetobacter baumannii FabI in complex with NAD and Fabimycin ((S,E)-3-(7-amino-8-oxo-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepin-3-yl)-N-methyl-N-((3-methylbenzofuran-2-yl)methyl)acrylamide)
分子名称: (2E)-3-[(7S)-7-amino-8-oxo-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepin-3-yl]-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]prop-2-enamide, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Hajian, B.
登録日2022-04-08
公開日2023-02-15
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.74 Å)
主引用文献An Iterative Approach Guides Discovery of the FabI Inhibitor Fabimycin, a Late-Stage Antibiotic Candidate with In Vivo Efficacy against Drug-Resistant Gram-Negative Infections
Acs Cent.Sci., 8, 2022
2CLR
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BU of 2clr by Molmil
THREE DIMENSIONAL STRUCTURE OF A PEPTIDE EXTENDING OUT ONE END OF A CLASS I MHC BINDING SITE
分子名称: BETA 2-MICROGLOBULIN, CLASS I HISTOCOMPATIBILITY ANTIGEN (HLA-A 0201) (ALPHA CHAIN), DECAMERIC PEPTIDE FROM CALRETICULIN
著者Collins, E.J, Garboczi, D.N, Wiley, D.C.
登録日1994-08-01
公開日1995-03-31
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Three-dimensional structure of a peptide extending from one end of a class I MHC binding site.
Nature, 371, 1994
1TMC
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THE THREE-DIMENSIONAL STRUCTURE OF A CLASS I MAJOR HISTOCOMPATIBILITY COMPLEX MOLECULE MISSING THE ALPHA3 DOMAIN OF THE HEAVY CHAIN
分子名称: BETA 2-MICROGLOBULIN, CLASS I HISTOCOMPATIBILITY ANTIGEN (HLA-AW68), DECAMERIC PEPTIDE (EVAPPEYHRK)
著者Collins, E.J, Garboczi, D.N, Karpusas, M.N, Wiley, D.C.
登録日1994-12-19
公開日1995-03-31
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The three-dimensional structure of a class I major histocompatibility complex molecule missing the alpha 3 domain of the heavy chain.
Proc.Natl.Acad.Sci.USA, 92, 1995
1HHJ
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BU of 1hhj by Molmil
THE ANTIGENIC IDENTITY OF PEPTIDE(SLASH)MHC COMPLEXES: A COMPARISON OF THE CONFORMATION OF FIVE PEPTIDES PRESENTED BY HLA-A2
分子名称: BETA 2-MICROGLOBULIN, CLASS I HISTOCOMPATIBILITY ANTIGEN (HLA-A*0201) (ALPHA CHAIN), HIV-1 REVERSE TRANSCRIPTASE (RESIDUES 309-317)
著者Madden, D.R, Garboczi, D.N, Wiley, D.C.
登録日1993-06-30
公開日1993-10-31
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The antigenic identity of peptide-MHC complexes: a comparison of the conformations of five viral peptides presented by HLA-A2.
Cell(Cambridge,Mass.), 75, 1993
1HHG
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BU of 1hhg by Molmil
THE ANTIGENIC IDENTITY OF PEPTIDE(SLASH)MHC COMPLEXES: A COMPARISON OF THE CONFORMATION OF FIVE PEPTIDES PRESENTED BY HLA-A2
分子名称: BETA 2-MICROGLOBULIN, CLASS I HISTOCOMPATIBILITY ANTIGEN (HLA-A*0201) (ALPHA CHAIN), HIV-1 GP120 ENVELOPE PROTEIN (RESIDUES 195-207)
著者Madden, D.R, Garboczi, D.N, Wiley, D.C.
登録日1993-06-30
公開日1993-10-31
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献The antigenic identity of peptide-MHC complexes: a comparison of the conformations of five viral peptides presented by HLA-A2.
Cell(Cambridge,Mass.), 75, 1993
1HHK
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BU of 1hhk by Molmil
THE ANTIGENIC IDENTITY OF PEPTIDE(SLASH)MHC COMPLEXES: A COMPARISON OF THE CONFORMATION OF FIVE PEPTIDES PRESENTED BY HLA-A2
分子名称: BETA 2-MICROGLOBULIN, CLASS I HISTOCOMPATIBILITY ANTIGEN (HLA-A*0201) (ALPHA CHAIN), NONAMERIC PEPTIDE FROM HTLV-1 TAX PROTEIN (RESIDUES 11-19)
著者Madden, D.R, Garboczi, D.N, Wiley, D.C.
登録日1993-06-30
公開日1993-10-31
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The antigenic identity of peptide-MHC complexes: a comparison of the conformations of five viral peptides presented by HLA-A2.
Cell(Cambridge,Mass.), 75, 1993
1HHH
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BU of 1hhh by Molmil
THE ANTIGENIC IDENTITY OF PEPTIDE(SLASH)MHC COMPLEXES: A COMPARISON OF THE CONFORMATION OF FIVE PEPTIDES PRESENTED BY HLA-A2
分子名称: BETA 2-MICROGLOBULIN, CLASS I HISTOCOMPATIBILITY ANTIGEN (HLA-A*0201) (ALPHA CHAIN), HEPATITIS B NUCLEOCAPSID PROTEIN (RESIDUES 18-27)
著者Madden, D.R, Garboczi, D.N, Wiley, D.C.
登録日1993-06-30
公開日1993-10-31
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献The antigenic identity of peptide-MHC complexes: a comparison of the conformations of five viral peptides presented by HLA-A2.
Cell(Cambridge,Mass.), 75, 1993
1HHI
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BU of 1hhi by Molmil
THE ANTIGENIC IDENTITY OF PEPTIDE(SLASH)MHC COMPLEXES: A COMPARISON OF THE CONFORMATION OF FIVE PEPTIDES PRESENTED BY HLA-A2
分子名称: BETA 2-MICROGLOBULIN, CLASS I HISTOCOMPATIBILITY ANTIGEN (HLA-A*0201) (ALPHA CHAIN), INFLUENZA A MATRIX PROTEIN M1 (RESIDUES 58-66)
著者Madden, D.R, Garboczi, D.N, Wiley, D.C.
登録日1993-06-30
公開日1993-10-31
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The antigenic identity of peptide-MHC complexes: a comparison of the conformations of five viral peptides presented by HLA-A2.
Cell(Cambridge,Mass.), 75, 1993

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