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6UVD
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BU of 6uvd by Molmil
Crystal structure of BCL-XL bound to compound 2: (2R)-3-(Benzylsulfanyl)-2-({[(4-methylphenyl)methyl] [(4 phenylphenyl)carbonyl] carbamoyl}amino) propanoic acid
分子名称: (2R)-3-(Benzylsulfanyl)-2-({[(4-methylphenyl)methyl] [(4 phenylphenyl)carbonyl] carbamoyl}amino) propanoic acid, 1,2-ETHANEDIOL, Bcl-2-like protein 1, ...
著者Roy, M.J, Birkinshaw, R, Lessene, G, Czabotar, P.E.
登録日2019-11-02
公開日2021-05-05
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structure-Guided Development of Potent Benzoylurea Inhibitors of BCL-X L and BCL-2.
J.Med.Chem., 64, 2021
6UVH
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BU of 6uvh by Molmil
Crystal structure of BCL-XL bound to compound 15: (R)-2-(3-(2-((4'-Chloro-[1,1'-biphenyl]-2-yl)methyl)-1,2,3,4-tetrahydroisoquinoline-6-carbonyl)-3-(4-methylbenzyl)ureido)-3-((cyclohexylmethyl)sulfonyl)propanoic acid
分子名称: (R)-2-(3-(2-((4'-Chloro-[1,1'-biphenyl]-2-yl)methyl)-1,2,3,4-tetrahydroisoquinoline-6-carbonyl)-3-(4-methylbenzyl)ureido)-3-((cyclohexylmethyl)sulfonyl)propanoic acid, 1,2-ETHANEDIOL, Bcl-2-like protein 1, ...
著者Roy, M.J, Lessene, G, Czabotar, P.E.
登録日2019-11-02
公開日2021-05-05
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Structure-Guided Development of Potent Benzoylurea Inhibitors of BCL-X L and BCL-2.
J.Med.Chem., 64, 2021
6UVF
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BU of 6uvf by Molmil
Crystal structure of BCL-XL bound to compound 12: (R)-2-(3-([1,1'-Biphenyl]-4-carbonyl)-3-(4-methylbenzyl)ureido)-3-((cyclohexylmethyl)sulfonyl)propanoic acid
分子名称: (R)-2-(3-([1,1'-Biphenyl]-4-carbonyl)-3-(4-methylbenzyl)ureido)-3-((cyclohexylmethyl)sulfonyl)propanoic acid, 1,2-ETHANEDIOL, Bcl-2-like protein 1, ...
著者Roy, M.J, Lessene, G, Czabotar, P.E.
登録日2019-11-02
公開日2021-05-05
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Structure-Guided Development of Potent Benzoylurea Inhibitors of BCL-X L and BCL-2.
J.Med.Chem., 64, 2021
6UVG
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BU of 6uvg by Molmil
Crystal structure of BCL-XL bound to compound 13: (R)-2-(3-([1,1'-Biphenyl]-4-carbonyl)-3-(4-methylbenzyl)ureido)-3-(((3R,5R,7R)-adamantan-1-ylmethyl)sulfonyl)propanoic acid
分子名称: (R)-2-(3-([1,1'-Biphenyl]-4-carbonyl)-3-(4-methylbenzyl)ureido)-3-(((3R,5R,7R)-adamantan-1-ylmethyl)sulfonyl)propanoic acid, 1,2-ETHANEDIOL, Bcl-2-like protein 1, ...
著者Roy, M.J, Lessene, G, Czabotar, P.E.
登録日2019-11-02
公開日2021-05-05
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure-Guided Development of Potent Benzoylurea Inhibitors of BCL-X L and BCL-2.
J.Med.Chem., 64, 2021
6W3R
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BU of 6w3r by Molmil
Crystal structure of ligand-binding domain of Campylobacter jejuni chemoreceptor Tlp3 in complex with 3-methylisoleucine
分子名称: 3-methyl-L-alloisoleucine, CHLORIDE ION, Methyl-accepting chemotaxis protein, ...
著者Khan, M.F, Machuca, M.A, Rahman, M.M, Roujeinikova, A.
登録日2020-03-09
公開日2020-05-20
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Structure-Activity Relationship Study Reveals the Molecular Basis for Specific Sensing of Hydrophobic Amino Acids by theCampylobacter jejuniChemoreceptor Tlp3.
Biomolecules, 10, 2020
6W3O
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BU of 6w3o by Molmil
Crystal structure of ligand-binding domain of Campylobacter jejuni chemoreceptor Tlp3 in complex with 4-methylisoleucine
分子名称: 4-methylisoleucine, CHLORIDE ION, Methyl-accepting chemotaxis protein, ...
著者Khan, M.F, Machuca, M.A, Rahman, M.M, Roujeinikova, A.
登録日2020-03-09
公開日2020-05-20
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Structure-Activity Relationship Study Reveals the Molecular Basis for Specific Sensing of Hydrophobic Amino Acids by theCampylobacter jejuniChemoreceptor Tlp3.
Biomolecules, 10, 2020
6W3Y
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BU of 6w3y by Molmil
Crystal structure of ligand-binding domain of Campylobacter jejuni chemoreceptor Tlp3 in complex with L-alanine
分子名称: ALANINE, CHLORIDE ION, GLYCEROL, ...
著者Khan, M.F, Machuca, M.A, Rahman, M.M, Roujeinikova, A.
登録日2020-03-09
公開日2020-05-20
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.32 Å)
主引用文献Structure-Activity Relationship Study Reveals the Molecular Basis for Specific Sensing of Hydrophobic Amino Acids by theCampylobacter jejuniChemoreceptor Tlp3.
Biomolecules, 10, 2020
6W3V
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BU of 6w3v by Molmil
Crystal structure of ligand-binding domain of Campylobacter jejuni chemoreceptor Tlp3 in complex with L-phenylalanine
分子名称: CHLORIDE ION, Methyl-accepting chemotaxis protein, PHENYLALANINE, ...
著者Khan, M.F, Machuca, M.A, Rahman, M.M, Roujeinikova, A.
登録日2020-03-09
公開日2020-05-20
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Structure-Activity Relationship Study Reveals the Molecular Basis for Specific Sensing of Hydrophobic Amino Acids by theCampylobacter jejuniChemoreceptor Tlp3.
Biomolecules, 10, 2020
6W3S
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BU of 6w3s by Molmil
Crystal structure of ligand-binding domain of Campylobacter jejuni chemoreceptor Tlp3 in complex with L-leucine
分子名称: GLYCEROL, LEUCINE, Methyl-accepting chemotaxis protein, ...
著者Khan, M.F, Machuca, M.A, Rahman, M.M, Roujeinikova, A.
登録日2020-03-09
公開日2020-05-20
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structure-Activity Relationship Study Reveals the Molecular Basis for Specific Sensing of Hydrophobic Amino Acids by theCampylobacter jejuniChemoreceptor Tlp3.
Biomolecules, 10, 2020
6W3P
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BU of 6w3p by Molmil
Crystal structure of ligand-binding domain of Campylobacter jejuni chemoreceptor Tlp3 in complex with beta-methylnorleucine
分子名称: CHLORIDE ION, GLYCEROL, Methyl-accepting chemotaxis protein, ...
著者Khan, M.F, Machuca, M.A, Rahman, M.M, Roujeinikova, A.
登録日2020-03-09
公開日2020-05-20
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.383 Å)
主引用文献Structure-Activity Relationship Study Reveals the Molecular Basis for Specific Sensing of Hydrophobic Amino Acids by theCampylobacter jejuniChemoreceptor Tlp3.
Biomolecules, 10, 2020
6W3X
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BU of 6w3x by Molmil
Crystal structure of ligand-binding domain of Campylobacter jejuni chemoreceptor Tlp3 in complex with L-valine
分子名称: GLYCEROL, Methyl-accepting chemotaxis protein, SULFATE ION, ...
著者Khan, M.F, Machuca, M.A, Rahman, M.M, Roujeinikova, A.
登録日2020-03-09
公開日2020-05-20
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structure-Activity Relationship Study Reveals the Molecular Basis for Specific Sensing of Hydrophobic Amino Acids by theCampylobacter jejuniChemoreceptor Tlp3.
Biomolecules, 10, 2020
6W3T
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BU of 6w3t by Molmil
Crystal structure of ligand-binding domain of Campylobacter jejuni chemoreceptor Tlp3 in complex with L-norvaline
分子名称: GLYCEROL, Methyl-accepting chemotaxis protein, NORVALINE, ...
著者Khan, M.F, Machuca, M.A, Rahman, M.M, Roujeinikova, A.
登録日2020-03-09
公開日2020-05-20
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure-Activity Relationship Study Reveals the Molecular Basis for Specific Sensing of Hydrophobic Amino Acids by theCampylobacter jejuniChemoreceptor Tlp3.
Biomolecules, 10, 2020
6O9U
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BU of 6o9u by Molmil
KirBac3.1 at a resolution of 2 Angstroms
分子名称: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 3,3',3''-phosphoryltripropanoic acid, BARIUM ION, ...
著者Gulbis, J.M, Clarke, O.B.
登録日2019-03-15
公開日2020-05-27
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A constricted opening in Kir channels does not impede potassium conduction.
Nat Commun, 11, 2020
6O9T
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BU of 6o9t by Molmil
KirBac3.1 mutant at a resolution of 4.1 Angstroms
分子名称: 2,3,5,6-tetramethyl-1H,7H-pyrazolo[1,2-a]pyrazole-1,7-dione, Inward rectifier potassium channel Kirbac3.1, POTASSIUM ION
著者Gulbis, J.M, Black, K.A, Miller, D.M.
登録日2019-03-15
公開日2020-05-27
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (4.01 Å)
主引用文献A constricted opening in Kir channels does not impede potassium conduction.
Nat Commun, 11, 2020
6O9V
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BU of 6o9v by Molmil
KirBac3.1 mutant at a resolution of 3.1 Angstroms
分子名称: 1,1-Methanediyl Bismethanethiosulfonate, DECYLAMINE-N,N-DIMETHYL-N-OXIDE, Inward rectifier potassium channel Kirbac3.1, ...
著者Gulbis, J.M, Black, K.A, Miller, D.M.
登録日2019-03-15
公開日2020-05-27
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.094 Å)
主引用文献A constricted opening in Kir channels does not impede potassium conduction.
Nat Commun, 11, 2020
1IEQ
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BU of 1ieq by Molmil
CRYSTAL STRUCTURE OF BARLEY BETA-D-GLUCAN GLUCOHYDROLASE ISOENZYME EXO1
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-3)]2-acetamido-2-deoxy-beta-D-glucopyranose, BETA-D-GLUCAN GLUCOHYDROLASE ISOENZYME EXO1, beta-D-glucopyranose, ...
著者Hrmova, M, DeGori, R, Fincher, G.B, Varghese, J.N.
登録日2001-04-11
公開日2001-11-14
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Catalytic mechanisms and reaction intermediates along the hydrolytic pathway of a plant beta-D-glucan glucohydrolase.
Structure, 9, 2001
1IEV
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BU of 1iev by Molmil
CRYSTAL STRUCTURE OF BARLEY BETA-D-GLUCAN GLUCOHYDROLASE ISOENZYME EXO1 IN COMPLEX WITH CYCLOHEXITOL
分子名称: 1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-3)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Hrmova, M, DeGori, R, Fincher, G.B, Varghese, J.N.
登録日2001-04-11
公開日2001-11-14
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Catalytic mechanisms and reaction intermediates along the hydrolytic pathway of a plant beta-D-glucan glucohydrolase.
Structure, 9, 2001
2K9E
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BU of 2k9e by Molmil
NMR Solution Structure for ShK-192: A Potent KV1.3-Specific Immunosuppressive Polypeptide
分子名称: Kappa-stichotoxin-She3a
著者Galea, C.A.
登録日2008-10-09
公開日2009-01-20
最終更新日2023-11-15
実験手法SOLUTION NMR
主引用文献Engineering a stable and selective peptide blocker of the Kv1.3 channel in T lymphocytes
Mol.Pharmacol., 75, 2009
2MPI
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BU of 2mpi by Molmil
Solution structure of B24G insulin
分子名称: insulin chain A, insulin chain B
著者Yang, Y, Wickramasinghe, N.P, Hua, Q, Weiss, M.A.
登録日2014-05-19
公開日2014-12-24
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Protective hinge in insulin opens to enable its receptor engagement.
Proc.Natl.Acad.Sci.USA, 111, 2014
2NLA
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BU of 2nla by Molmil
Crystal structure of the Mcl-1:mNoxaB BH3 complex
分子名称: FUSION PROTEIN CONSISTING OF Induced myeloid leukemia cell differentiation protein Mcl-1 homolog, Phorbol-12-myristate-13-acetate-induced protein 1
著者Czabotar, P.E, Colman, P.M.
登録日2006-10-19
公開日2007-03-27
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural insights into the degradation of Mcl-1 induced by BH3 domains.
Proc.Natl.Acad.Sci.USA, 104, 2007
2NL9
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BU of 2nl9 by Molmil
Crystal structure of the Mcl-1:Bim BH3 complex
分子名称: Bcl-2-like protein 11, CHLORIDE ION, FUSION PROTEIN CONSISTING OF Induced myeloid leukemia cell differentiation protein Mcl-1 homolog, ...
著者Czabotar, P.E, Colman, P.M.
登録日2006-10-19
公開日2007-03-27
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structural insights into the degradation of Mcl-1 induced by BH3 domains.
Proc.Natl.Acad.Sci.USA, 104, 2007
5VWV
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BU of 5vwv by Molmil
Bak core latch dimer in complex with Bim-BH3 - Cubic
分子名称: 1,2-ETHANEDIOL, Bcl-2 homologous antagonist/killer, Bcl-2-like protein 11, ...
著者Brouwer, J.M, Colman, P.M, Czabotar, P.E.
登録日2017-05-23
公開日2017-11-15
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.897 Å)
主引用文献Conversion of Bim-BH3 from Activator to Inhibitor of Bak through Structure-Based Design.
Mol. Cell, 68, 2017
5VX2
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BU of 5vx2 by Molmil
Mcl-1 in complex with Bim-h3Pc-RT
分子名称: 1,2-ETHANEDIOL, Bcl-2-like protein 11, Induced myeloid leukemia cell differentiation protein Mcl-1 homolog,Induced myeloid leukemia cell differentiation protein Mcl-1 chimera
著者Cowan, A.D, Brouwer, J.M, Colman, P.M, Czabotar, P.E.
登録日2017-05-23
公開日2017-11-15
最終更新日2020-01-08
実験手法X-RAY DIFFRACTION (1.851 Å)
主引用文献Conversion of Bim-BH3 from Activator to Inhibitor of Bak through Structure-Based Design.
Mol. Cell, 68, 2017
5VX1
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BU of 5vx1 by Molmil
Bak L100A
分子名称: Bcl-2 homologous antagonist/killer
著者Brouwer, J.M, Colman, P.M, Czabotar, P.E.
登録日2017-05-23
公開日2017-11-15
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.224 Å)
主引用文献Conversion of Bim-BH3 from Activator to Inhibitor of Bak through Structure-Based Design.
Mol. Cell, 68, 2017
5VX0
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BU of 5vx0 by Molmil
Bak in complex with Bim-h3Glg
分子名称: 1,2-ETHANEDIOL, Bcl-2 homologous antagonist/killer, Bcl-2-like protein 11, ...
著者Brouwer, J.M, Lan, P, Lessene, G, Colman, P.M, Czabotar, P.E.
登録日2017-05-23
公開日2017-11-15
最終更新日2020-01-08
実験手法X-RAY DIFFRACTION (1.599 Å)
主引用文献Conversion of Bim-BH3 from Activator to Inhibitor of Bak through Structure-Based Design.
Mol. Cell, 68, 2017

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