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7D0Q
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BU of 7d0q by Molmil
Crystal structure of human HBO1-BRPF2 in complex with butyryl-coenzyme A
分子名称: 1,2-ETHANEDIOL, BRD1 protein, Butyryl Coenzyme A, ...
著者Li, W, Ding, J.
登録日2020-09-11
公開日2021-07-07
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献HBO1 is a versatile histone acyltransferase critical for promoter histone acylations.
Nucleic Acids Res., 49, 2021
7D0O
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BU of 7d0o by Molmil
Crystal structure of human HBO1-BRPF2 in apo form
分子名称: 1,2-ETHANEDIOL, BRD1 protein, Histone acetyltransferase KAT7, ...
著者Li, W, Ding, J.
登録日2020-09-11
公開日2021-07-07
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献HBO1 is a versatile histone acyltransferase critical for promoter histone acylations.
Nucleic Acids Res., 49, 2021
7D0S
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BU of 7d0s by Molmil
Crystal structure of human HBO1-BRPF2 in complex with succinyl-coenzyme A
分子名称: BRD1 protein, Histone acetyltransferase KAT7, SUCCINYL-COENZYME A, ...
著者Li, W, Ding, J.
登録日2020-09-11
公開日2021-07-07
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献HBO1 is a versatile histone acyltransferase critical for promoter histone acylations.
Nucleic Acids Res., 49, 2021
7D0R
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BU of 7d0r by Molmil
Crystal structure of human HBO1-BRPF2 in complex with crotonoyl-coenzyme A
分子名称: 1,2-ETHANEDIOL, BRD1 protein, CROTONYL COENZYME A, ...
著者Li, W, Ding, J.
登録日2020-09-11
公開日2021-07-07
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献HBO1 is a versatile histone acyltransferase critical for promoter histone acylations.
Nucleic Acids Res., 49, 2021
7P08
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BU of 7p08 by Molmil
Solution structure of the human SF3A1 ubiquitin-like domain
分子名称: Isoform 1 of Splicing factor 3A subunit 1
著者de Vries, T, Campagne, S, Allain, F.H.T.
登録日2021-06-29
公開日2022-02-09
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献Sequence-specific RNA recognition by an RGG motif connects U1 and U2 snRNP for spliceosome assembly.
Proc.Natl.Acad.Sci.USA, 119, 2022
7P0V
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BU of 7p0v by Molmil
Crystal structure of human SF3A1 ubiquitin-like domain in complex with U1 snRNA stem-loop 4
分子名称: Isoform 2 of Splicing factor 3A subunit 1, PENTAETHYLENE GLYCOL, RNA (5'-R(P*GP*GP*GP*GP*AP*CP*UP*GP*CP*GP*UP*UP*CP*GP*CP*GP*CP*UP*UP*UP*CP*CP*CP*C)-3'), ...
著者Sabath, K, de Vries, T, Jonas, S.
登録日2021-06-30
公開日2022-04-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Sequence-specific RNA recognition by an RGG motif connects U1 and U2 snRNP for spliceosome assembly.
Proc.Natl.Acad.Sci.USA, 119, 2022
4S1G
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BU of 4s1g by Molmil
Renin in complex with (S)-1-(3-fluoro-5-(((S)-1-phenylethyl)carbamoyl)benzyl)-4-isopropyl-4-methyl-6-oxotetrahydropyrimidin-2(1H)-iminium
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-{[(4S)-2-amino-4-methyl-6-oxo-4-(propan-2-yl)-5,6-dihydropyrimidin-1(4H)-yl]methyl}-5-fluoro-N-[(1S)-1-phenylethyl]benzamide, Renin
著者Orth, P.
登録日2015-01-13
公開日2015-02-25
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Iminopyrimidinones: A novel pharmacophore for the development of orally active renin inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
5V8O
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BU of 5v8o by Molmil
Discovery of a high affinity inhibitor of cGAS
分子名称: 5-phenyltetrazolo[1,5-a]pyrimidin-7-ol, Cyclic GMP-AMP synthase, ZINC ION
著者Hall, J.
登録日2017-03-22
公開日2017-09-27
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Discovery of PF-06928215 as a high affinity inhibitor of cGAS enabled by a novel fluorescence polarization assay.
PLoS ONE, 12, 2017
3L5B
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BU of 3l5b by Molmil
Structure of BACE Bound to SCH713601
分子名称: (2Z,5R)-3-(3-chlorobenzyl)-2-imino-5-methyl-5-(2-methylpropyl)imidazolidin-4-one, Beta-secretase 1, D(-)-TARTARIC ACID
著者Strickland, C, Zhu, Z.
登録日2009-12-21
公開日2010-02-16
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Discovery of Cyclic Acylguanidines as Highly Potent and Selective beta-Site Amyloid Cleaving Enzyme (BACE) Inhibitors: Part I-Inhibitor Design and Validation
J.Med.Chem., 53, 2010
3L5E
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BU of 3l5e by Molmil
Structure of BACE Bound to SCH736062
分子名称: (4S)-1-(4-{[(2Z,4R)-4-(2-cyclohexylethyl)-4-(cyclohexylmethyl)-2-imino-5-oxoimidazolidin-1-yl]methyl}benzyl)-4-propylimidazolidin-2-one, Beta-secretase 1, D(-)-TARTARIC ACID
著者Strickland, C, Zhu, Z.
登録日2009-12-21
公開日2010-02-16
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Discovery of Cyclic Acylguanidines as Highly Potent and Selective beta-Site Amyloid Cleaving Enzyme (BACE) Inhibitors: Part I-Inhibitor Design and Validation
J.Med.Chem., 53, 2010
3L5D
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BU of 3l5d by Molmil
Structure of BACE Bound to SCH723873
分子名称: 1-butyl-3-(4-{[(2Z,4R)-2-imino-4-methyl-4-(2-methylpropyl)-5-oxoimidazolidin-1-yl]methyl}benzyl)urea, Beta-secretase 1, D(-)-TARTARIC ACID
著者Strickland, C, Zhu, Z.
登録日2009-12-21
公開日2010-02-16
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Discovery of Cyclic Acylguanidines as Highly Potent and Selective beta-Site Amyloid Cleaving Enzyme (BACE) Inhibitors: Part I-Inhibitor Design and Validation
J.Med.Chem., 53, 2010
3L5F
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BU of 3l5f by Molmil
Structure of BACE Bound to SCH736201
分子名称: (2E,5R)-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-2-imino-3-methylimidazolidin-4-one, Beta-secretase 1, D(-)-TARTARIC ACID
著者Strickland, C, Zhu, Z.
登録日2009-12-21
公開日2010-02-16
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Discovery of Cyclic Acylguanidines as Highly Potent and Selective beta-Site Amyloid Cleaving Enzyme (BACE) Inhibitors: Part I-Inhibitor Design and Validation
J.Med.Chem., 53, 2010
3L5C
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BU of 3l5c by Molmil
Structure of BACE Bound to SCH723871
分子名称: 1-(4-cyanophenyl)-3-(4-{[(2Z,4R)-2-imino-4-methyl-4-(2-methylpropyl)-5-oxoimidazolidin-1-yl]methyl}benzyl)urea, Beta-secretase 1, D(-)-TARTARIC ACID
著者Strickland, C, Zhu, Z.
登録日2009-12-21
公開日2010-02-16
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Discovery of Cyclic Acylguanidines as Highly Potent and Selective beta-Site Amyloid Cleaving Enzyme (BACE) Inhibitors: Part I-Inhibitor Design and Validation
J.Med.Chem., 53, 2010
4FWJ
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BU of 4fwj by Molmil
Native structure of LSD2/AOF1/KDM1b in spacegroup of I222 at 2.9A
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, Lysine-specific histone demethylase 1B, PHOSPHATE ION, ...
著者Zhang, Q, Chen, Z.
登録日2012-07-01
公開日2013-01-16
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structure-function analysis reveals a novel mechanism for regulation of histone demethylase LSD2/AOF1/KDM1b
Cell Res., 23, 2013
4FWE
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BU of 4fwe by Molmil
Native structure of LSD2 /AOF1/KDM1b in spacegroup of C2221 at 2.13A
分子名称: CITRATE ANION, FLAVIN-ADENINE DINUCLEOTIDE, Lysine-specific histone demethylase 1B, ...
著者Zhang, Q, Chen, Z.
登録日2012-07-01
公開日2013-01-16
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献Structure-function analysis reveals a novel mechanism for regulation of histone demethylase LSD2/AOF1/KDM1b
Cell Res., 23, 2013
4FWF
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BU of 4fwf by Molmil
Complex structure of LSD2/AOF1/KDM1b with H3K4 mimic
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, Histone H3.1, Lysine-specific histone demethylase 1B, ...
著者Zhang, Q, Chen, Z.
登録日2012-07-01
公開日2013-01-16
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structure-function analysis reveals a novel mechanism for regulation of histone demethylase LSD2/AOF1/KDM1b
Cell Res., 23, 2013
5XXK
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BU of 5xxk by Molmil
Structure-activity studies of Mdm2/Mdm4-binding stapled peptides comprising non-natural amino acids
分子名称: E3 ubiquitin-protein ligase Mdm2, Hydrocarbon stapled peptide THC-SER-PHE-0EH-GLU-TYR-6CW-ALA-LEU-LEU-MK8-NH2
著者Brown, C.J.
登録日2017-07-04
公開日2017-12-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Structure-activity studies of Mdm2/Mdm4-binding stapled peptides comprising non-natural amino acids.
PLoS ONE, 12, 2017
1A81
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BU of 1a81 by Molmil
CRYSTAL STRUCTURE OF THE TANDEM SH2 DOMAIN OF THE SYK KINASE BOUND TO A DUALLY TYROSINE-PHOSPHORYLATED ITAM
分子名称: SYK KINASE, T-CELL SURFACE GLYCOPROTEIN CD3 EPSILON CHAIN
著者Fuetterer, K, Waksman, G.
登録日1998-03-31
公開日1998-10-21
最終更新日2016-05-25
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural basis for Syk tyrosine kinase ubiquity in signal transduction pathways revealed by the crystal structure of its regulatory SH2 domains bound to a dually phosphorylated ITAM peptide.
J.Mol.Biol., 281, 1998
5VDR
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BU of 5vdr by Molmil
Human cyclic GMP-AMP synthase (cGAS) in complex with 3',3'-cdIMP
分子名称: 3',3'-cdIMP, Cyclic GMP-AMP synthase, ZINC ION
著者Byrnes, L.J, Hall, J.D.
登録日2017-04-03
公開日2017-09-27
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.042 Å)
主引用文献The catalytic mechanism of cyclic GMP-AMP synthase (cGAS) and implications for innate immunity and inhibition.
Protein Sci., 26, 2017
5VDP
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BU of 5vdp by Molmil
Human cyclic GMP-AMP synthase (cGAS) in complex with 2',3'-cGAMP
分子名称: Cyclic GMP-AMP synthase, SULFATE ION, ZINC ION, ...
著者Byrnes, L.J, Hall, J.D.
登録日2017-04-03
公開日2017-09-27
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The catalytic mechanism of cyclic GMP-AMP synthase (cGAS) and implications for innate immunity and inhibition.
Protein Sci., 26, 2017
3LON
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BU of 3lon by Molmil
HCV NS3-4a protease domain with ketoamide inhibitor narlaprevir
分子名称: (1R,2S,5S)-3-[N-({1-[(tert-butylsulfonyl)methyl]cyclohexyl}carbamoyl)-3-methyl-L-valyl]-N-{(1S)-1-[(1R)-2-(cyclopropylamino)-1-hydroxy-2-oxoethyl]pentyl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, BETA-MERCAPTOETHANOL, Genome polyprotein, ...
著者Prongay, A.J.
登録日2010-02-04
公開日2011-01-19
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Candidate selection and preclinical evaluation culminating in the discovery of Narlaprevir (SCH 900518): A potent, selective and orally efficacious second generation HCV NS3 serine protease inhibitor
To be Published
8HL6
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BU of 8hl6 by Molmil
Crystal structure of human valosin-containing protein methyltransferase
分子名称: Protein N-lysine methyltransferase METTL21D, S-ADENOSYLMETHIONINE
著者Kang, W, Yang, J.K.
登録日2022-11-29
公開日2023-07-12
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural basis for recognition and methylation of p97 by METTL21D, a valosin-containing protein lysine methyltransferase.
Iscience, 26, 2023
8HL7
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BU of 8hl7 by Molmil
Crystal structure of p97 N/D1 in complex with a valosin-containing protein methyltransferase
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, ...
著者Kang, W, Yang, J.K.
登録日2022-11-29
公開日2023-07-12
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural basis for recognition and methylation of p97 by METTL21D, a valosin-containing protein lysine methyltransferase.
Iscience, 26, 2023
2RH4
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BU of 2rh4 by Molmil
Actinorhodin ketoreductase, actKR, with NADPH and Inhibitor Emodin
分子名称: 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE, Actinorhodin Polyketide Ketoreductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Korman, T.P, Tsai, S.-C.
登録日2007-10-05
公開日2008-08-19
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Inhibition kinetics and emodin cocrystal structure of a type II polyketide ketoreductase
Biochemistry, 47, 2008
2RHC
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BU of 2rhc by Molmil
Actinorhodin ketordeuctase, actKR, with NADP+ and Inhibitor Emodin
分子名称: 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE, Actinorhodin Polyketide Ketoreductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Korman, T.P, Tsai, S.-C.
登録日2007-10-08
公開日2008-08-19
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Inhibition kinetics and emodin cocrystal structure of a type II polyketide ketoreductase
Biochemistry, 47, 2008

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