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PDB: 100 件

3R5L
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Structure of Ddn, the Deazaflavin-dependent nitroreductase from Mycobacterium tuberculosis involved in bioreductive activation of PA-824
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Deazaflavin-dependent nitroreductase
著者Cellitti, S.E, Shaffer, J, Jones, D.H, Mukherjee, T, Gurumurthy, M, Bursulaya, B, Boshoff, H.I.M, Choi, I, Nayyar, A, Lee, Y.S, Cherian, J, Niyomrattanakit, P, Dick, T, Manjunatha, U.H, Barry, C.E, Spraggon, G, Geierstanger, B.H.
登録日2011-03-18
公開日2012-01-18
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structure of Ddn, the deazaflavin-dependent nitroreductase from Mycobacterium tuberculosis involved in bioreductive activation of PA-824.
Structure, 20, 2012
3R5R
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Structure of Ddn, the Deazaflavin-dependent nitroreductase from Mycobacterium tuberculosis involved in bioreductive activation of PA-824, with co-factor F420
分子名称: COENZYME F420, Deazaflavin-dependent nitroreductase
著者Cellitti, S.E, Shaffer, J, Jones, D.H, Mukherjee, T, Gurumurthy, M, Bursulaya, B, Boshoff, H.I.M, Choi, I, Nayya, A, Lee, Y.S, Cherian, J, Niyomrattanakit, P, Dick, T, Manjunatha, U.H, Barry, C.E, Spraggon, G, Geierstanger, B.H.
登録日2011-03-19
公開日2012-01-18
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.101 Å)
主引用文献Structure of Ddn, the deazaflavin-dependent nitroreductase from Mycobacterium tuberculosis involved in bioreductive activation of PA-824.
Structure, 20, 2012
3R5Z
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Structure of a Deazaflavin-dependent reductase from Nocardia farcinica, with co-factor F420
分子名称: COENZYME F420, Putative uncharacterized protein, SULFATE ION
著者Cellitti, S.E, Shaffer, J, Jones, D.H, Mukherjee, T, Gurumurthy, M, Bursulaya, B, Boshoff, H.I.M, Choi, I, Nayya, A, Lee, Y.S, Cherian, J, Niyomrattanakit, P, Dick, T, Manjunatha, U.H, Barry, C.E, Spraggon, G, Geierstanger, B.H.
登録日2011-03-20
公開日2012-01-18
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.503 Å)
主引用文献Structure of Ddn, the deazaflavin-dependent nitroreductase from Mycobacterium tuberculosis involved in bioreductive activation of PA-824.
Structure, 20, 2012
3R5P
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BU of 3r5p by Molmil
Structure of Ddn, the Deazaflavin-dependent nitroreductase from Mycobacterium tuberculosis involved in bioreductive activation of PA-824
分子名称: Deazaflavin-dependent nitroreductase, SULFATE ION
著者Cellitti, S.E, Shaffer, J, Jones, D.H, Mukherjee, T, Gurumurthy, M, Bursulaya, B, Boshoff, H.I.M, Choi, I, Nayya, A, Lee, Y.S, Cherian, J, Niyomrattanakit, P, Dick, T, Manjunatha, U.H, Barry, C.E, Spraggon, G, Geierstanger, B.H.
登録日2011-03-19
公開日2012-01-18
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structure of Ddn, the deazaflavin-dependent nitroreductase from Mycobacterium tuberculosis involved in bioreductive activation of PA-824.
Structure, 20, 2012
3R5Y
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BU of 3r5y by Molmil
Structure of a Deazaflavin-dependent nitroreductase from Nocardia farcinica, with co-factor F420
分子名称: COENZYME F420, Putative uncharacterized protein
著者Cellitti, S.E, Shaffer, J, Jones, D.H, Mukherjee, T, Gurumurthy, M, Bursulaya, B, Boshoff, H.I.M, Choi, I, Nayya, A, Lee, Y.S, Cherian, J, Niyomrattanakit, P, Dick, T, Manjunatha, U.H, Barry, C.E, Spraggon, G, Geierstanger, B.H.
登録日2011-03-20
公開日2012-01-18
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.801 Å)
主引用文献Structure of Ddn, the deazaflavin-dependent nitroreductase from Mycobacterium tuberculosis involved in bioreductive activation of PA-824.
Structure, 20, 2012
3R5W
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BU of 3r5w by Molmil
Structure of Ddn, the Deazaflavin-dependent nitroreductase from Mycobacterium tuberculosis involved in bioreductive activation of PA-824, with co-factor F420
分子名称: COENZYME F420, Deazaflavin-dependent nitroreductase
著者Cellitti, S.E, Shaffer, J, Jones, D.H, Mukherjee, T, Gurumurthy, M, Bursulaya, B, Boshoff, H.I.M, Choi, I, Nayya, A, Lee, Y.S, Cherian, J, Niyomrattanakit, P, Dick, T, Manjunatha, U.H, Barry, C.E, Spraggon, G, Geierstanger, B.H.
登録日2011-03-20
公開日2012-01-18
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.786 Å)
主引用文献Structure of Ddn, the deazaflavin-dependent nitroreductase from Mycobacterium tuberculosis involved in bioreductive activation of PA-824.
Structure, 20, 2012
2HXZ
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BU of 2hxz by Molmil
Crystal Structure of Cathepsin S in complex with a Nonpeptidic Inhibitor (Hexagonal spacegroup)
分子名称: Cathepsin S, N-[(1S)-1-{1-[(1R,3E)-1-ACETYLPENT-3-EN-1-YL]-1H-1,2,3-TRIAZOL-4-YL}-1,2-DIMETHYLPROPYL]BENZAMIDE, SULFATE ION
著者Patterson, A.W, Wood, W.J, Hornsby, M, Lesley, S, Spraggon, G, Ellman, J.A.
登録日2006-08-04
公開日2006-10-24
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Identification of selective, nonpeptidic nitrile inhibitors of cathepsin s using the substrate activity screening method.
J.Med.Chem., 49, 2006
2H7J
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Crystal Structure of Cathepsin S in complex with a Nonpeptidic Inhibitor.
分子名称: 2,5,8,11,14,17-HEXAOXANONADECAN-19-OL, Cathepsin S, N-[(1S)-1-{1-[(1R,3E)-1-ACETYLPENT-3-EN-1-YL]-1H-1,2,3-TRIAZOL-4-YL}-1,2-DIMETHYLPROPYL]BENZAMIDE
著者Patterson, A.W, Wood, W.J, Hornsby, M, Lesley, S, Spraggon, G, Ellman, J.A.
登録日2006-06-02
公開日2006-10-24
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Identification of selective, nonpeptidic nitrile inhibitors of cathepsin s using the substrate activity screening method.
J.Med.Chem., 49, 2006
6UIP
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BU of 6uip by Molmil
DYRK1A Kinase Domain in Complex with a 6-azaindole Derivative, GNF2133.
分子名称: 4-ethyl-N-{4-[1-(oxan-4-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]pyridin-2-yl}piperazine-1-carboxamide, Dual specificity tyrosine-phosphorylation-regulated kinase 1A
著者DiDonato, M, Spraggon, G.
登録日2019-10-01
公開日2020-03-04
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (3.7 Å)
主引用文献Selective DYRK1A Inhibitor for the Treatment of Type 1 Diabetes: Discovery of 6-Azaindole Derivative GNF2133.
J.Med.Chem., 63, 2020
1J7J
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BU of 1j7j by Molmil
Crystal Structure of the HPRT from Salmonella typhimurium
分子名称: MAGNESIUM ION, hypoxanthine phosphoribosyltransferase
著者Lee, C.C, Focia, P.J, Spraggon, G, Eakin, A.E.
登録日2001-05-16
公開日2003-07-29
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal Structure of the HPRT from Salmonella Typhimurium at 2.3 A Resolution
To be Published
1FZF
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BU of 1fzf by Molmil
CRYSTAL STRUCTURE OF FRAGMENT DOUBLE-D FROM HUMAN FIBRIN WITH THE PEPTIDE LIGAND GLY-HIS-ARG-PRO-AMIDE
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, FIBRINOGEN
著者Everse, S.J, Spraggon, G, Veerapandian, L, Doolittle, R.F.
登録日1998-12-28
公開日1999-06-08
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Conformational changes in fragments D and double-D from human fibrin(ogen) upon binding the peptide ligand Gly-His-Arg-Pro-amide.
Biochemistry, 38, 1999
1FZG
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BU of 1fzg by Molmil
CRYSTAL STRUCTURE OF FRAGMENT D FROM HUMAN FIBRINOGEN WITH THE PEPTIDE LIGAND GLY-HIS-ARG-PRO-AMIDE
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, FIBRINOGEN
著者Everse, S.J, Spraggon, G, Veerapandian, L, Doolittle, R.F.
登録日1999-01-01
公開日1999-06-08
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Conformational changes in fragments D and double-D from human fibrin(ogen) upon binding the peptide ligand Gly-His-Arg-Pro-amide.
Biochemistry, 38, 1999
1FZE
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BU of 1fze by Molmil
CRYSTAL STRUCTURE OF FRAGMENT DOUBLE-D FROM HUMAN FIBRIN
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, FIBRINOGEN
著者Everse, S.J, Spraggon, G, Veerapandian, L, Doolittle, R.F.
登録日1998-12-23
公開日1999-06-08
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Conformational changes in fragments D and double-D from human fibrin(ogen) upon binding the peptide ligand Gly-His-Arg-Pro-amide.
Biochemistry, 38, 1999
1LWU
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BU of 1lwu by Molmil
Crystal structure of fragment D from lamprey fibrinogen complexed with the peptide Gly-His-Arg-Pro-amide
分子名称: 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Yang, Z, Spraggon, G, Pandi, L, Everse, S.J, Riley, M, Doolittle, R.F.
登録日2002-06-03
公開日2002-08-23
最終更新日2021-10-27
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structure of fragment D from lamprey fibrinogen complexed with the peptide Gly-His-Arg-Pro-amide.
Biochemistry, 41, 2002
1NH1
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BU of 1nh1 by Molmil
Crystal Structure of the Type III Effector AvrB from Pseudomonas syringae.
分子名称: Avirulence B protein
著者Lee, C.C, Wood, M.D, Ng, K, Luginbuhl, P, Spraggon, G, Katagiri, F.
登録日2002-12-18
公開日2004-03-09
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal Structure of the Type III Effector AvrB from Pseudomonas syringae.
Structure, 12, 2004
1LM4
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Structure of Peptide Deformylase from Staphylococcus aureus at 1.45 A
分子名称: FE (III) ION, GLYCEROL, peptide deformylase PDF1
著者Kreusch, A, Spraggon, G, Lee, C.C, Klock, H, McMullan, D, Ng, K, Shin, T, Vincent, J, Warner, I, Ericson, C, Lesley, S.A.
登録日2002-04-30
公開日2003-06-24
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Structure analysis of peptide deformylases from streptococcus pneumoniae,staphylococcus aureus, thermotoga maritima, and pseudomonas aeruginosa: snapshots of the oxygen sensitivity of peptide deformylase
J.MOL.BIOL., 330, 2003
1LME
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Crystal Structure of Peptide Deformylase from Thermotoga maritima
分子名称: peptide deformylase
著者Kreusch, A, Spraggon, G, Lee, C.C, Klock, H, McMullan, D, Ng, K, Shin, T, Vincent, J, Warner, I, Ericson, C, Lesley, S.A, Joint Center for Structural Genomics (JCSG)
登録日2002-05-01
公開日2003-06-24
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure analysis of peptide deformylases from streptococcus pneumoniae,staphylococcus aureus, thermotoga maritima, and pseudomonas aeruginosa: snapshots of the oxygen sensitivity of peptide deformylase
J.MOL.BIOL., 330, 2003
1LM6
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BU of 1lm6 by Molmil
Crystal Structure of Peptide Deformylase from Streptococcus pneumoniae
分子名称: FE (III) ION, GLYCEROL, peptide deformylase DEFB
著者Kreusch, A, Spraggon, G, Lee, C.C, Klock, H, McMullan, D, Ng, K, Shin, T, Vincent, J, Warner, I, Ericson, C, Lesley, S.A.
登録日2002-04-30
公開日2003-06-24
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structure analysis of peptide deformylases from streptococcus pneumoniae,staphylococcus aureus, thermotoga maritima, and pseudomonas aeruginosa: snapshots of the oxygen sensitivity of peptide deformylase
J.MOL.BIOL., 330, 2003
1N5N
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BU of 1n5n by Molmil
Crystal Structure of Peptide Deformylase from Pseudomonas aeruginosa
分子名称: GLYCEROL, Peptide deformylase, ZINC ION
著者Kreusch, A, Spraggon, G, Lee, C.C, Klock, H, McMullan, D, Ng, K, Shin, T, Vincent, J, Warner, I, Ericson, C, Lesley, S.A.
登録日2002-11-06
公開日2003-06-24
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure analysis of peptide deformylases from streptococcus pneumoniae,staphylococcus aureus, thermotoga maritima, and pseudomonas aeruginosa: snapshots of the oxygen sensitivity of peptide deformylase
J.MOL.BIOL., 330, 2003
7RUN
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BU of 7run by Molmil
Crystal structure of phosphorylated RET tyrosine kinase domain complexed with a pyrrolo[2,3-d]pyrimidine inhibitor.
分子名称: 1-(4-{(1s,3s)-3-[4-amino-5-(3-amino-4-chlorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl]cyclobutyl}piperazin-1-yl)ethan-1-one, CHLORIDE ION, Proto-oncogene tyrosine-protein kinase receptor Ret
著者Lee, C.C, Spraggon, G.
登録日2021-08-17
公開日2022-01-19
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (3.51 Å)
主引用文献Antitarget Selectivity and Tolerability of Novel Pyrrolo[2,3- d ]pyrimidine RET Inhibitors.
Acs Med.Chem.Lett., 12, 2021
4MKC
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BU of 4mkc by Molmil
Crystal Structure of Anaplastic Lymphoma Kinase Complexed with LDK378
分子名称: 5-chloro-N~2~-[5-methyl-4-(piperidin-4-yl)-2-(propan-2-yloxy)phenyl]-N~4~-[2-(propan-2-ylsulfonyl)phenyl]pyrimidine-2,4-diamine, ALK tyrosine kinase receptor, GLYCEROL
著者Lee, C.C, Spraggon, G.
登録日2013-09-04
公開日2014-04-09
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献The ALK Inhibitor Ceritinib Overcomes Crizotinib Resistance in Non-Small Cell Lung Cancer.
Cancer Discov, 4, 2014
6VHG
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BU of 6vhg by Molmil
Crystal structure of phosphorylated RET tyrosine kinase domain complexed with a pyrazolo[1,5-a]pyrimidine inhibitor
分子名称: 3-(3,4-dimethoxyphenyl)-N~5~-(1-methylpiperidin-4-yl)-6-phenylpyrazolo[1,5-a]pyrimidine-5,7-diamine, ACETATE ION, CHLORIDE ION, ...
著者Lee, C.C, Spraggon, G.
登録日2020-01-09
公開日2020-02-26
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.303 Å)
主引用文献Efficacy and Tolerability of Pyrazolo[1,5-a]pyrimidine RET Kinase Inhibitors for the Treatment of Lung Adenocarcinoma.
Acs Med.Chem.Lett., 11, 2020
4Z55
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BU of 4z55 by Molmil
Anaplastic lymphoma kinase catalytic domain complexed with pyrazolopyrimidine derivative of LDK378
分子名称: ALK tyrosine kinase receptor, GLYCEROL, N~6~-[5-methyl-4-(1-methylpiperidin-4-yl)-2-(propan-2-yloxy)phenyl]-N~4~-[2-(propan-2-ylsulfonyl)phenyl]-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine
著者Lee, C.C, Spraggon, G.
登録日2015-04-02
公開日2016-02-03
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Design and synthesis of novel selective anaplastic lymphoma kinase inhibitors.
Bioorg.Med.Chem.Lett., 26, 2016
3O0P
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Pilus-related Sortase C of Group B Streptococcus
分子名称: Sortase family protein
著者Malito, E, Spraggon, G.
登録日2010-07-19
公開日2011-03-09
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Structure analysis and site-directed mutagenesis of defined key residues and motives for pilus-related sortase C1 in group B Streptococcus.
Faseb J., 25, 2011
2Y7S
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Structure of a designed meningococcal antigen (factor H binding protein, mutant G1) inducing broad protective immunity
分子名称: FACTOR H BINDING PROTEIN
著者Malito, E, Spraggon, G, Bottomley, M.J.
登録日2011-02-01
公開日2011-07-27
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Rational Design of a Meningococcal Antigen Inducing Broad Protective Immunity.
Sci.Transl.Med, 3, 2011
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