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5UTD
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BU of 5utd by Molmil
Sperm whale myoglobin V68A/I107Y with nitrite
分子名称: Myoglobin, NITRITE ION, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Wang, B, Thomas, L.M, Richter-Addo, G.B.
登録日2017-02-14
公開日2018-02-28
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Nitrosyl Myoglobins and Their Nitrite Precursors: Crystal Structural and Quantum Mechanics and Molecular Mechanics Theoretical Investigations of Preferred Fe -NO Ligand Orientations in Myoglobin Distal Pockets.
Biochemistry, 57, 2018
6TYF
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BU of 6tyf by Molmil
Crystal structure of MTB sigma L transcription initiation complex with 6 nt long RNA primer
分子名称: DNA (5'-D(*GP*CP*AP*TP*CP*CP*GP*TP*GP*AP*AP*TP*CP*GP*AP*GP*GP*GP*T)-3'), DNA (5'-D(P*GP*TP*GP*TP*CP*AP*GP*TP*AP*GP*CP*TP*GP*TP*CP*AP*CP*GP*GP*AP*TP*GP*C)-3'), DNA-directed RNA polymerase subunit alpha, ...
著者Molodtsov, V, Ebright, R.H.
登録日2019-08-08
公開日2020-03-11
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (3.8 Å)
主引用文献RNA extension drives a stepwise displacement of an initiation-factor structural module in initial transcription.
Proc.Natl.Acad.Sci.USA, 117, 2020
5UTB
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BU of 5utb by Molmil
Met form of sperm whale myoglobin V68A/I107Y
分子名称: GLYCEROL, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Wang, B, Thomas, L.M, Richter-Addo, G.B.
登録日2017-02-14
公開日2018-02-28
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Nitrosyl Myoglobins and Their Nitrite Precursors: Crystal Structural and Quantum Mechanics and Molecular Mechanics Theoretical Investigations of Preferred Fe -NO Ligand Orientations in Myoglobin Distal Pockets.
Biochemistry, 57, 2018
1G4S
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BU of 1g4s by Molmil
THIAMIN PHOSPHATE SYNTHASE
分子名称: MAGNESIUM ION, PYROPHOSPHATE 2-, THIAMIN PHOSPHATE, ...
著者Peapus, D.H, Chiu, H.-J, Campobasso, N, Reddick, J.J, Begley, T.P, Ealick, S.E.
登録日2000-10-27
公開日2001-09-26
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural characterization of the enzyme-substrate, enzyme-intermediate, and enzyme-product complexes of thiamin phosphate synthase.
Biochemistry, 40, 2001
6TYG
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Crystal structure of MTB sigma L transcription initiation complex with 9 nt long RNA primer
分子名称: DNA (5'-D(*GP*CP*AP*TP*CP*CP*GP*TP*GP*AP*AP*TP*CP*GP*AP*GP*GP*GP*TP*G)-3'), DNA (5'-D(P*GP*TP*GP*TP*CP*AP*GP*TP*AP*GP*CP*TP*GP*TP*CP*AP*CP*GP*GP*AP*TP*GP*C)-3'), DNA-directed RNA polymerase subunit alpha, ...
著者Molodtsov, V, Ebright, R.H.
登録日2019-08-08
公開日2020-03-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献RNA extension drives a stepwise displacement of an initiation-factor structural module in initial transcription.
Proc.Natl.Acad.Sci.USA, 117, 2020
5D6Q
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BU of 5d6q by Molmil
Crystal structure of the ATP binding domain of S. aureus GyrB complexed with a ligand
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 1-ethyl-3-{4-[(E)-2-(pyridin-3-yl)ethenyl]-5-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl}urea, DNA gyrase subunit B, ...
著者Zhang, J, Yang, Q, Cross, J.B, Romero, J.A.C, Ryan, M.D, Lippa, B, Dolle, R.E, Andersen, O.A, Barker, J, Cheng, R.K, Kahmann, J, Felicetti, B, Wood, M, Scheich, C.
登録日2015-08-12
公開日2015-11-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Discovery of Azaindole Ureas as a Novel Class of Bacterial Gyrase B Inhibitors.
J.Med.Chem., 58, 2015
1G67
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THIAMIN PHOSPHATE SYNTHASE
分子名称: 2-METHYL-5-METHYLENE-5H-PYRIMIDIN-4-YLIDENEAMINE, 4-METHYL-5-HYDROXYETHYLTHIAZOLE PHOSPHATE, MAGNESIUM ION, ...
著者Peapus, D.H, Chiu, H.-J, Campobasso, N, Reddick, J.J, Begley, T.P, Ealick, S.E.
登録日2000-11-03
公開日2001-09-26
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structural characterization of the enzyme-substrate, enzyme-intermediate, and enzyme-product complexes of thiamin phosphate synthase.
Biochemistry, 40, 2001
1GN4
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H145E mutant of Mycobacterium tuberculosis iron-superoxide dismutase.
分子名称: MANGANESE (II) ION, SUPEROXIDE DISMUTASE
著者Bunting, K.A, Cooper, J.B, Badasso, M.O, Tickle, I.J, Newton, M, Wood, S.P, Zhang, Y, Young, D.B.
登録日2001-10-02
公開日2001-10-05
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Engineering a Change in the Metal-Ion Specificity of the Iron-Depedent Superoxide Dismutase from Mycobacterium Tuberculosis. X-Ray Structure Analysis of Site-Directed Mutants
Eur.J.Biochem., 251, 1998
1GN3
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BU of 1gn3 by Molmil
H145Q mutant of Mycobacterium tuberculosis iron-superoxide dismutase.
分子名称: FE (III) ION, SUPEROXIDE DISMUTASE
著者Bunting, K.A, Cooper, J.B, Badasso, M.O, Tickle, I.J, Newton, M, Wood, S.P, Zhang, Y, Young, D.B.
登録日2001-10-02
公開日2001-10-05
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (4 Å)
主引用文献Engineering a Change in the Metal-Ion Specificity of the Iron-Depedent Superoxide Dismutase from Mycobacterium Tuberculosis. X-Ray Structure Analysis of Site-Directed Mutants.
Eur.J.Biochem., 251, 1998
1GN2
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BU of 1gn2 by Molmil
S123C mutant of the iron-superoxide dismutase from Mycobacterium tuberculosis.
分子名称: FE (III) ION, SUPEROXIDE DISMUTASE
著者Bunting, K.A, Cooper, J.B, Tickle, I.J, Young, D.B.
登録日2001-10-02
公開日2001-10-05
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Engineering of an Intersubunit Disulfide Bridge in the Iron-Superoxide Dismutase of Mycobacterium Tuberculosis.
Arch.Biochem.Biophys., 397, 2002
6U3I
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BU of 6u3i by Molmil
Design of organo-peptides as bipartite PCSK9 antagonists
分子名称: 7G7 heavy chain, 7G7 light chain, CALCIUM ION, ...
著者Ultsch, M.H, Kirchhofer, D.
登録日2019-08-21
公開日2020-02-05
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Design of Organo-Peptides As Bipartite PCSK9 Antagonists.
Acs Chem.Biol., 15, 2020
5UT9
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BU of 5ut9 by Molmil
Sperm whale myoglobin H64A with nitrite
分子名称: GLYCEROL, Myoglobin, NITRITE ION, ...
著者Wang, B, Thomas, L.M, Richter-Addo, G.B.
登録日2017-02-14
公開日2018-02-28
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Nitrosyl Myoglobins and Their Nitrite Precursors: Crystal Structural and Quantum Mechanics and Molecular Mechanics Theoretical Investigations of Preferred Fe -NO Ligand Orientations in Myoglobin Distal Pockets.
Biochemistry, 57, 2018
5D7C
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BU of 5d7c by Molmil
Crystal structure of the ATP binding domain of S. aureus GyrB complexed with a ligand
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 1-ethyl-3-[1-(pyridin-2-yl)-6-(pyridin-3-yl)-1H-pyrrolo[3,2-b]pyridin-3-yl]urea, DNA gyrase subunit B, ...
著者Zhang, J, Yang, Q, Cross, J.B, Romero, J.A.C, Ryan, M.D, Lippa, B, Dolle, R.E, Andersen, O.A, Barker, J, Cheng, R.K, Kahmann, J, Felicetti, B, Wood, M, Scheich, C.
登録日2015-08-13
公開日2015-11-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Discovery of Azaindole Ureas as a Novel Class of Bacterial Gyrase B Inhibitors.
J.Med.Chem., 58, 2015
3OL3
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BU of 3ol3 by Molmil
Crystal structure of a putative uncharacterized protein from Mycobacterium smegamtis, an ortholog of Rv0543c, iodide phased
分子名称: IODIDE ION, Putative uncharacterized protein, TETRAETHYLENE GLYCOL, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2010-08-25
公開日2010-09-08
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural diversity in the Mycobacteria DUF3349 superfamily.
Protein Sci., 29, 2020
3OL4
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BU of 3ol4 by Molmil
Crystal structure of a putative uncharacterized protein from Mycobacterium smegmatis, an ortholog of Rv0543c
分子名称: Putative uncharacterized protein
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2010-08-25
公開日2010-09-08
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural diversity in the Mycobacteria DUF3349 superfamily.
Protein Sci., 29, 2020
5UTC
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BU of 5utc by Molmil
Deoxy form of sperm whale myoglobin V68A/I107Y
分子名称: GLYCEROL, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Wang, B, Thomas, L.M, Richter-Addo, G.B.
登録日2017-02-14
公開日2018-02-28
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Nitrosyl Myoglobins and Their Nitrite Precursors: Crystal Structural and Quantum Mechanics and Molecular Mechanics Theoretical Investigations of Preferred Fe -NO Ligand Orientations in Myoglobin Distal Pockets.
Biochemistry, 57, 2018
3PGX
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BU of 3pgx by Molmil
Crystal structure of a putative carveol dehydrogenase from Mycobacterium paratuberculosis bound to nicotinamide adenine dinucleotide
分子名称: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, carveol dehydrogenase
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2010-11-02
公開日2010-11-24
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Mycofactocin-associated mycobacterial dehydrogenases with non-exchangeable NAD cofactors.
Sci Rep, 7, 2017
6U2F
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BU of 6u2f by Molmil
PCSK9-Fab 7G7 complex bound to cis-1-amino-4-phenylcyclohexaneacyl-WNLK(hR)IGLLR - NH2
分子名称: 7G7 heavy chain, 7G7 light chain, CALCIUM ION, ...
著者Ultsch, M.H, Kirchhofer, D.
登録日2019-08-19
公開日2020-02-05
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.94 Å)
主引用文献Design of Organo-Peptides As Bipartite PCSK9 Antagonists.
Acs Chem.Biol., 15, 2020
3P3A
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BU of 3p3a by Molmil
Crystal structure of a putative thiosulfate sulfurtransferase from Mycobacterium thermoresistible
分子名称: Thiosulfate sulfurtransferase
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2010-10-04
公開日2010-10-13
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Mycobacterium thermoresistibile as a source of thermostable orthologs of Mycobacterium tuberculosis proteins.
Protein Sci., 21, 2012
5UT7
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BU of 5ut7 by Molmil
Wild-type sperm whale myoglobin with nitrite
分子名称: GLYCEROL, Myoglobin, NITRITE ION, ...
著者Wang, B, Thomas, L.M, Richter-Addo, G.B.
登録日2017-02-14
公開日2018-02-28
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Nitrosyl Myoglobins and Their Nitrite Precursors: Crystal Structural and Quantum Mechanics and Molecular Mechanics Theoretical Investigations of Preferred Fe -NO Ligand Orientations in Myoglobin Distal Pockets.
Biochemistry, 57, 2018
4U8C
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Crystal structure of D(CGCGAATTCGCG)2 complexed with BPH-1409
分子名称: 2,2'-benzene-1,4-diylbis[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1H-indole], DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), MAGNESIUM ION
著者Zhu, W, Oldfield, E.
登録日2014-08-01
公開日2015-02-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献Antibacterial drug leads: DNA and enzyme multitargeting.
J.Med.Chem., 58, 2015
6TYE
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BU of 6tye by Molmil
Crystal structure of MTB sigma L transcription initiation complex with 5 nt long RNA primer
分子名称: DNA (5'-D(*GP*CP*AP*TP*CP*CP*GP*TP*GP*AP*AP*TP*CP*GP*AP*GP*G)-3'), DNA (5'-D(P*GP*TP*GP*TP*CP*AP*GP*TP*AP*GP*CP*TP*GP*TP*CP*AP*CP*GP*GP*AP*TP*GP*C)-3'), DNA-directed RNA polymerase subunit alpha, ...
著者Molodtsov, V, Ebright, R.H.
登録日2019-08-08
公開日2020-03-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.79 Å)
主引用文献RNA extension drives a stepwise displacement of an initiation-factor structural module in initial transcription.
Proc.Natl.Acad.Sci.USA, 117, 2020
4U8B
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Crystal structure of D(CGCGAATTCGCG)2 complexed with BPH-1358
分子名称: DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), MAGNESIUM ION, N,N'-bis[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]biphenyl-4,4'-dicarboxamide
著者Zhu, W, Oldfield, E.
登録日2014-08-01
公開日2015-02-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.31 Å)
主引用文献Antibacterial drug leads: DNA and enzyme multitargeting.
J.Med.Chem., 58, 2015
8U8Q
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V290N/S292F Streptomyces coelicolor Laccase
分子名称: BORIC ACID, COPPER (II) ION, Copper oxidase, ...
著者Wang, J.-X, Lu, Y.
登録日2023-09-18
公開日2023-11-15
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Increasing Reduction Potentials of Type 1 Copper Center and Catalytic Efficiency of Small Laccase from Streptomyces coelicolor through Secondary Coordination Sphere Mutations.
Angew.Chem.Int.Ed.Engl., 62, 2023
8U8P
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S292F Streptomyces coelicolor Laccase
分子名称: BORIC ACID, COPPER (II) ION, Copper oxidase, ...
著者Wang, J.-X, Lu, Y.
登録日2023-09-18
公開日2023-11-15
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Increasing Reduction Potentials of Type 1 Copper Center and Catalytic Efficiency of Small Laccase from Streptomyces coelicolor through Secondary Coordination Sphere Mutations.
Angew.Chem.Int.Ed.Engl., 62, 2023

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件を2024-07-17に公開中

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