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7FHJ
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BU of 7fhj by Molmil
Crystal structure of BAZ2A with DNA
分子名称: Bromodomain adjacent to zinc finger domain protein 2A, DNA (5'-D(*CP*GP*GP*AP*AP*TP*GP*TP*AP*GP*GP*C)-3'), DNA (5'-D(*GP*CP*CP*TP*AP*(5CM)P*AP*TP*TP*CP*CP*G)-3'), ...
著者Liu, K, Dong, A, Li, Y, Loppnau, P, Edwards, A.M, Arrowsmith, C.H, Min, J, Structural Genomics Consortium, Structural Genomics Consortium (SGC)
登録日2021-07-29
公開日2021-12-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Structural basis of the TAM domain of BAZ2A in binding to DNA or RNA independent of methylation status.
J.Biol.Chem., 297, 2021
4REO
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BU of 4reo by Molmil
Mutant ribosomal protein l1 from thermus thermophilus with threonine 217 replaced by valine
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 50S ribosomal protein L1, GLYCINE, ...
著者Gabdulkhakov, A.G, Nevskaya, N.A, Tishchenko, S.V, Nikonov, S.V.
登録日2014-09-23
公開日2015-03-18
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Protein-RNA affinity of ribosomal protein L1 mutants does not correlate with the number of intermolecular interactions.
Acta Crystallogr.,Sect.D, 71, 2015
4QVI
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BU of 4qvi by Molmil
Crystal structure of mutant ribosomal protein M218L TthL1 in complex with 80nt 23S RNA from Thermus thermophilus
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 50S ribosomal protein L1, ACETATE ION, ...
著者Gabdulkhakov, A.G, Nevskaya, N.A, NIkonov, S.V.
登録日2014-07-15
公開日2015-02-11
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Protein-RNA affinity of ribosomal protein L1 mutants does not correlate with the number of intermolecular interactions.
Acta Crystallogr.,Sect.D, 71, 2015
3U4M
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BU of 3u4m by Molmil
Crystal structure of ribosomal protein tthl1 in complex with 80nt 23s rna from thermus thermophilus
分子名称: 50S ribosomal protein L1, CHLORIDE ION, MAGNESIUM ION, ...
著者Gabdulkhakov, A.G, Nevskaya, N.A, NIkonov, S.V.
登録日2011-10-10
公開日2012-08-08
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献High-resolution crystal structure of the isolated ribosomal L1 stalk.
Acta Crystallogr.,Sect.D, 68, 2012
4QGB
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BU of 4qgb by Molmil
Crystal structure of mutant ribosomal protein G219V TthL1
分子名称: 50S ribosomal protein L1, ACETATE ION, CHLORIDE ION
著者Gabdulkhakov, A.G, Nevskaya, N.A, Nikonov, S.V.
登録日2014-05-22
公開日2015-02-11
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Protein-RNA affinity of ribosomal protein L1 mutants does not correlate with the number of intermolecular interactions.
Acta Crystallogr.,Sect.D, 71, 2015
4QG3
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BU of 4qg3 by Molmil
Crystal structure of mutant ribosomal protein G219V TthL1 in complex with 80nt 23S RNA from Thermus thermophilus
分子名称: 50S ribosomal protein L1, BETA-MERCAPTOETHANOL, ISOPROPYL ALCOHOL, ...
著者Gabdulkhakov, A.G, Nevskaya, N.A, Nikonov, S.V.
登録日2014-05-22
公開日2015-02-11
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Protein-RNA affinity of ribosomal protein L1 mutants does not correlate with the number of intermolecular interactions.
Acta Crystallogr.,Sect.D, 71, 2015
3TG8
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BU of 3tg8 by Molmil
Mutant ribosomal protein L1 lacking ala158 from thermus thermophilus
分子名称: 50S ribosomal protein L1, CHLORIDE ION, TETRAETHYLENE GLYCOL
著者Gabdulkhakov, A.G, Nevskaya, N.A, Nikonov, S.V.
登録日2011-08-17
公開日2011-12-07
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural analysis of interdomain mobility in ribosomal L1 proteins.
Acta Crystallogr.,Sect.D, 67, 2011
6ZUE
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BU of 6zue by Molmil
Crystal structure of human DDB1 bound to human DCAF1 (amino acid residues 1046-1396)
分子名称: DDB1- and CUL4-associated factor 1, DNA damage-binding protein 1
著者Schwefel, D, Taylor, I.A.
登録日2020-07-22
公開日2021-07-28
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.094 Å)
主引用文献Structural insights into Cullin4-RING ubiquitin ligase remodelling by Vpr from simian immunodeficiency viruses.
Plos Pathog., 17, 2021
8K3L
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BU of 8k3l by Molmil
SOD1 and Nanobody3 complex
分子名称: COPPER (II) ION, NB3, Superoxide dismutase [Cu-Zn], ...
著者Cheng, S, Liu, R, Ding, Y.
登録日2023-07-16
公開日2024-07-17
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献SOD1 and Nanobody1 complex
To Be Published
7T79
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BU of 7t79 by Molmil
CRYSTAL STRUCTURE OF GLUCOKINASE (HEXOKINASE 4) COMPLEXED WITH LIGAND AKA DIETHYL {[3-(3-{[5-(AZETIDINE-1-CARBON YL)PYRAZIN-2-YL]OXY}-5-(PROPAN-2-YLOXY)BENZAMIDO)-1H- PYRAZOL-1-YL]METHYL}PHOSPHONATE
分子名称: Isoform 2 of Hexokinase-4, alpha-D-glucopyranose, diethyl {[3-(3-{[5-(azetidine-1-carbonyl)pyrazin-2-yl]oxy}-5-[(propan-2-yl)oxy]benzamido)-1H-pyrazol-1-yl]methyl}phosphonate
著者Muckelbauer, J.K.
登録日2021-12-14
公開日2022-03-02
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Discovery of a Partial Glucokinase Activator Clinical Candidate: Diethyl ((3-(3-((5-(Azetidine-1-carbonyl)pyrazin-2-yl)oxy)-5-isopropoxybenzamido)-1 H -pyrazol-1-yl)methyl)phosphonate (BMS-820132).
J.Med.Chem., 65, 2022
7T78
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BU of 7t78 by Molmil
CRYSTAL STRUCTURE OF GLUCOKINASE (HEXOKINASE 4) COMPLEXED WITH LIGAND DIETHYL ({2-[3-(4-METHANESULFONYLPHENO XY)-5-{[(2S)-1-METHOXYPROPAN-2-YL]OXY}BENZAMIDO]-1,3-THIAZ OL-4-YL}METHYL)PHOSPHONATE
分子名称: 1,2-ETHANEDIOL, Isoform 2 of Hexokinase-4, SODIUM ION, ...
著者Muckelbauer, J.K.
登録日2021-12-14
公開日2022-03-02
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Discovery of a Partial Glucokinase Activator Clinical Candidate: Diethyl ((3-(3-((5-(Azetidine-1-carbonyl)pyrazin-2-yl)oxy)-5-isopropoxybenzamido)-1 H -pyrazol-1-yl)methyl)phosphonate (BMS-820132).
J.Med.Chem., 65, 2022
3F9G
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BU of 3f9g by Molmil
Crystal Structure of the F140A mutant of SARS-Coronovirus 3C-like Protease at pH 6.5
分子名称: 3C-like proteinase
著者Hu, T, Li, L, Jiang, H, Shen, X.
登録日2008-11-13
公開日2009-09-29
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Two adjacent mutations on the dimer interface of SARS coronavirus 3C-like protease cause different conformational changes in crystal structure.
Virology, 388, 2009
4D3M
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BU of 4d3m by Molmil
Structure of Bacillus subtilis Nitric Oxide Synthase in complex with 3-(2-(6-Amino-4-methylpyridin-2-yl)ethyl)-5-(2-(4-methyl-6-(methylamino)pyridin-2-yl)ethyl)benzonitrile
分子名称: 3-[2-(6-AMINO-4-METHYLPYRIDIN-2-YL)ETHYL]-5-{2-[4-METHYL-6-(METHYLAMINO)PYRIDIN-2-YL]ETHYL}BENZONITRILE, CHLORIDE ION, GLYCEROL, ...
著者Holden, J.K, Poulos, T.L.
登録日2014-10-23
公開日2015-01-14
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.741 Å)
主引用文献Structure-based design of bacterial nitric oxide synthase inhibitors.
J. Med. Chem., 58, 2015
4D3V
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BU of 4d3v by Molmil
Structure of Bacillus subtilis Nitric Oxide Synthase I218V in complex with N-{3-[(1S)-2-(3-{(Z)-[amino(thiophen-2-yl)methylidene]amino}phenoxy)-1-hydroxyethyl]phenyl}thiophene-2-carboximidamide
分子名称: CHLORIDE ION, GLYCEROL, N-PROPANOL, ...
著者Holden, J.K, Poulos, T.L.
登録日2014-10-23
公開日2015-01-14
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Structure-Based Design of Bacterial Nitric Oxide Synthase Inhibitors.
J.Med.Chem., 58, 2015
4D3K
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BU of 4d3k by Molmil
Structure of Bacillus subtilis nitric oxide synthase in complex with 6,6'-((5-(3-aminopropyl)-1,3-phenylene)bis(ethane-2,1-diyl))bis(4- methylpyridin-2-amine)
分子名称: 6,6'-{[5-(3-aminopropyl)benzene-1,3-diyl]diethane-2,1-diyl}bis(4-methylpyridin-2-amine), CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Holden, J.K, Poulos, T.L.
登録日2014-10-22
公開日2015-01-14
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.017 Å)
主引用文献Structure-Based Design of Bacterial Nitric Oxide Synthase Inhibitors.
J.Med.Chem., 58, 2015
4D3J
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BU of 4d3j by Molmil
Structure of Bacillus subtilis Nitric Oxide Synthase in complex with 6,6'-(2,2'-(5-amino-1,3-phenylene)bis(ethane-2,1-diyl))bis(4- methylpyridin-2-amine)
分子名称: 6,6'-[(5-aminobenzene-1,3-diyl)diethane-2,1-diyl]bis(4-methylpyridin-2-amine), CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Holden, J.K, Poulos, T.L.
登録日2014-10-22
公開日2015-01-14
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Structure-Based Design of Bacterial Nitric Oxide Synthase Inhibitors.
J.Med.Chem., 58, 2015
4D3N
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BU of 4d3n by Molmil
Structure of Bacillus subtilis Nitric Oxide Synthase in complex with 3-(2-(6-Amino-4-methylpyridin-2-yl)ethyl)-5-((2-(pyridin-2-yl)ethyl)amino)benzonitrile
分子名称: 3-[2-(6-amino-4-methylpyridin-2-yl)ethyl]-5-{[2-(pyridin-2-yl)ethyl]amino}benzonitrile, GLYCEROL, N-PROPANOL, ...
著者Holden, J.K, Poulos, T.L.
登録日2014-10-23
公開日2015-01-14
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献Structure-based design of bacterial nitric oxide synthase inhibitors.
J. Med. Chem., 58, 2015
4D3U
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BU of 4d3u by Molmil
Structure of Bacillus subtilis Nitric Oxide Synthase H128S in complex with N-{3-[(1S)-2-(3-{(Z)-[amino(thiophen-2-yl)methylidene]amino}phenoxy)-1-hydroxyethyl]phenyl}thiophene-2-carboximidamide
分子名称: CHLORIDE ION, GLYCEROL, N-PROPANOL, ...
著者Holden, J.K, Poulos, T.L.
登録日2014-10-23
公開日2015-01-14
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.981 Å)
主引用文献Structure-Based Design of Bacterial Nitric Oxide Synthase Inhibitors.
J.Med.Chem., 58, 2015
4D3I
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Structure of Bacillus subtilis Nitric Oxide Synthase in complex with 6,6'-((5-(aminomethyl)-1,3-phenylene)bis(ethane-2,1-diyl))bis(4- methylpyridin-2-amine)
分子名称: 6,6'-{[5-(aminomethyl)benzene-1,3-diyl]diethane-2,1-diyl}bis(4-methylpyridin-2-amine), GLYCEROL, N-PROPANOL, ...
著者Holden, J.K, Poulos, T.L.
登録日2014-10-22
公開日2015-01-14
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Structure-Based Design of Bacterial Nitric Oxide Synthase Inhibitors.
J.Med.Chem., 58, 2015
4D3T
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BU of 4d3t by Molmil
Structure of Bacillus subtilis Nitric Oxide Synthase in complex with N-{3-[(1S)-2-(3-{(Z)-[amino(thiophen-2-yl)methylidene]amino}phenoxy)-1-hydroxyethyl]phenyl}thiophene-2-carboximidamide
分子名称: CHLORIDE ION, GLYCEROL, N-PROPANOL, ...
著者Holden, J.K, Poulos, T.L.
登録日2014-10-23
公開日2015-01-14
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structure-Based Design of Bacterial Nitric Oxide Synthase Inhibitors.
J.Med.Chem., 58, 2015
3F1Z
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BU of 3f1z by Molmil
Crystal structure of putative nucleic acid-binding lipoprotein (YP_001337197.1) from Klebsiella pneumoniae subsp. pneumoniae MGH 78578 at 2.46 A resolution
分子名称: DI(HYDROXYETHYL)ETHER, putative nucleic acid-binding lipoprotein
著者Joint Center for Structural Genomics (JCSG)
登録日2008-10-28
公開日2008-11-18
最終更新日2023-02-01
実験手法X-RAY DIFFRACTION (2.46 Å)
主引用文献The structure of KPN03535 (gi|152972051), a novel putative lipoprotein from Klebsiella pneumoniae, reveals an OB-fold.
Acta Crystallogr.,Sect.F, 66, 2010
8HOG
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BU of 8hog by Molmil
Crystal structure of Bcl-2 in complex with sonrotoclax
分子名称: Apoptosis regulator Bcl-2, ~{N}-[4-[(4-methyl-4-oxidanyl-cyclohexyl)methylamino]-3-nitro-phenyl]sulfonyl-4-[2-[(2~{S})-2-(2-propan-2-ylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide
著者Liu, J, Xu, M, Feng, Y, Hong, Y, Liu, Y.
登録日2022-12-10
公開日2024-01-17
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Sonrotoclax overcomes BCL2 G101V mutation-induced venetoclax resistance in preclinical models of hematologic malignancy.
Blood, 143, 2024
8HOH
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BU of 8hoh by Molmil
Crystal structure of Bcl-2 G101V in complex with sonrotoclax
分子名称: Apoptosis regulator Bcl-2, ~{N}-[4-[(4-methyl-4-oxidanyl-cyclohexyl)methylamino]-3-nitro-phenyl]sulfonyl-4-[2-[(2~{S})-2-(2-propan-2-ylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide
著者Liu, J, Xu, M, Feng, Y, Hong, Y, Liu, Y.
登録日2022-12-10
公開日2024-01-17
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Sonrotoclax overcomes BCL2 G101V mutation-induced venetoclax resistance in preclinical models of hematologic malignancy.
Blood, 143, 2024
8HOI
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BU of 8hoi by Molmil
Crystal structure of Bcl-2 D103Y in complex with sonrotoclax
分子名称: Apoptosis regulator Bcl-2, FORMIC ACID, ~{N}-[4-[(4-methyl-4-oxidanyl-cyclohexyl)methylamino]-3-nitro-phenyl]sulfonyl-4-[2-[(2~{S})-2-(2-propan-2-ylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide
著者Liu, J, Xu, M, Feng, Y, Hong, Y, Liu, Y.
登録日2022-12-10
公開日2024-01-17
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Sonrotoclax overcomes BCL2 G101V mutation-induced venetoclax resistance in preclinical models of hematologic malignancy.
Blood, 143, 2024
6NPE
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C-abl Kinase domain with the activator(cmpd6), 2-cyano-N-(4-(3,4-dichlorophenyl)thiazol-2-yl)acetamide
分子名称: 2-cyano-~{N}-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]ethanamide, 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, NONAETHYLENE GLYCOL, ...
著者campobasso, N.
登録日2019-01-17
公開日2019-03-13
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Identification and Optimization of Novel Small c-Abl Kinase Activators Using Fragment and HTS Methodologies.
J. Med. Chem., 62, 2019

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