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5CZJ
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Crystal structure of HypD, a 1-pyrroline-4-hydroxy-2-carboxylate deaminase from Sinorhizobium meliloti
分子名称: Dihydrodipicolinate synthase
著者Stogios, P.J, Xu, X, Savchenko, A.
登録日2015-07-31
公開日2016-02-03
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献l-Hydroxyproline and d-Proline Catabolism in Sinorhizobium meliloti.
J.Bacteriol., 198, 2016
7MWI
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BU of 7mwi by Molmil
Crystal structure of human BAZ2A
分子名称: Bromodomain adjacent to zinc finger domain protein 2A, UNKNOWN ATOM OR ION
著者Liu, K, Dong, A, Li, Y, Loppnau, P, Edwards, A.M, Arrowsmith, C.H, Min, J, Structural Genomics Consortium (SGC)
登録日2021-05-17
公開日2021-12-29
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.8 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
8K8C
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BU of 8k8c by Molmil
Crystal structure of C/EBPalpha BZIP domain bound to a high affinity DNA
分子名称: CCAAT/enhancer-binding protein alpha, DNA (5'-D(*CP*AP*TP*TP*AP*CP*GP*TP*AP*AP*TP*GP*A)-3'), DNA (5'-D(*CP*AP*TP*TP*AP*CP*GP*TP*AP*AP*TP*GP*T)-3'), ...
著者Min, J.R, Chen, S.Z, Liu, K.
登録日2023-07-29
公開日2024-03-06
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Structural basis for specific DNA sequence recognition by the transcription factor NFIL3.
J.Biol.Chem., 300, 2024
8K8A
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BU of 8k8a by Molmil
Crystal structure of NFIL3 in complex with TTACGTAA DNA
分子名称: DNA (5'-D(*CP*AP*TP*TP*AP*CP*GP*TP*AP*AP*TP*G)-3'), Nuclear factor interleukin-3-regulated protein
著者Min, J.R, Chen, S.Z, Liu, K.
登録日2023-07-29
公開日2024-03-06
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Structural basis for specific DNA sequence recognition by the transcription factor NFIL3.
J.Biol.Chem., 300, 2024
8K89
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Crystal structure of NFIL3
分子名称: Nuclear factor interleukin-3-regulated protein
著者Min, J.R, Chen, S.Z, Liu, K.
登録日2023-07-29
公開日2024-03-06
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural basis for specific DNA sequence recognition by the transcription factor NFIL3.
J.Biol.Chem., 300, 2024
8K8D
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BU of 8k8d by Molmil
Crystal structure of C/EBPbeta BZIP domain bound to a high affinity DNA
分子名称: CCAAT/enhancer-binding protein beta, DNA (5'-D(*CP*AP*TP*TP*AP*CP*GP*TP*AP*AP*TP*G)-3')
著者Min, J.R, Chen, S.Z, Liu, K.
登録日2023-07-29
公開日2024-03-06
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural basis for specific DNA sequence recognition by the transcription factor NFIL3.
J.Biol.Chem., 300, 2024
8K86
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BU of 8k86 by Molmil
Crystal structure of NFIL3 in complex with TTATGTAA DNA
分子名称: DNA (5'-D(*CP*AP*TP*TP*AP*TP*GP*TP*AP*AP*CP*G)-3'), DNA (5'-D(*CP*GP*TP*TP*AP*CP*AP*TP*AP*AP*TP*G)-3'), Nuclear factor interleukin-3-regulated protein
著者Min, J.R, Chen, S.Z, Liu, K.
登録日2023-07-28
公開日2024-03-06
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Structural basis for specific DNA sequence recognition by the transcription factor NFIL3.
J.Biol.Chem., 300, 2024
1AO0
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BU of 1ao0 by Molmil
GLUTAMINE PHOSPHORIBOSYLPYROPHOSPHATE (PRPP) AMIDOTRANSFERASE FROM B. SUBTILIS COMPLEXED WITH ADP AND GMP
分子名称: ADENOSINE-5'-DIPHOSPHATE, GLUTAMINE PHOSPHORIBOSYLPYROPHOSPHATE AMIDOTRANSFERASE, GUANOSINE-5'-MONOPHOSPHATE, ...
著者Tomchick, D.R, Smith, J.L.
登録日1997-07-15
公開日1997-11-12
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Mechanism of the synergistic end-product regulation of Bacillus subtilis glutamine phosphoribosylpyrophosphate amidotransferase by nucleotides.
Biochemistry, 36, 1997
4IS6
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BU of 4is6 by Molmil
Crystal structure of HLA-DR4 bound to GP100 peptide
分子名称: HLA class II histocompatibility antigen, DR alpha chain, DRB1-4 beta chain, ...
著者Li, Y.
登録日2013-01-16
公開日2013-10-23
最終更新日2013-11-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure-Based Design of Altered MHC Class II-Restricted Peptide Ligands with Heterogeneous Immunogenicity.
J.Immunol., 191, 2013
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
1WOF
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BU of 1wof by Molmil
Crystal Structure Of SARS-CoV Mpro in Complex with an Inhibitor N1
分子名称: 3C-like proteinase, N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]-L-ALANYL-L-VALYL-N~1~-((1S)-4-ETHOXY-4-OXO-1-{[(3S)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE
著者Yang, H, Bartlam, M, Xue, X, Yang, K, Liang, W, Rao, Z.
登録日2004-08-18
公開日2005-08-30
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Design of Wide-Spectrum Inhibitors Targeting Coronavirus Main Proteases.
Plos Biol., 3, 2005
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
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
2G7P
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BU of 2g7p by Molmil
Structure of the Light Chain of Botulinum Neurotoxin Serotype A Bound to Small Molecule Inhibitors
分子名称: Botulinum neurotoxin type A, ZINC ION
著者Fu, Z, Baldwin, M.R, Boldt, G.E, Janda, K.D, Barbieri, J.T, Kim, J.-J.P.
登録日2006-02-28
公開日2006-08-15
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Light chain of botulinum neurotoxin serotype A: structural resolution of a catalytic intermediate.
Biochemistry, 45, 2006
6RJK
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BU of 6rjk by Molmil
Structure of virulence factor SghA from Agrobacterium tumefaciens
分子名称: Beta-glucosidase
著者Ye, F.Z, Wang, C, Chang, C.Q, Zhang, L.H, Gao, Y.G.
登録日2019-04-27
公開日2019-10-09
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.922 Å)
主引用文献Agrobacteria reprogram virulence gene expression by controlled release of host-conjugated signals.
Proc.Natl.Acad.Sci.USA, 116, 2019
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
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
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
8HTR
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BU of 8htr by Molmil
Crystal structure of Bcl2 in complex with S-9c
分子名称: 4-[4-[(2~{S})-2-(2-chlorophenyl)pyrrolidin-1-yl]phenyl]-~{N}-[3-nitro-4-(oxan-4-ylmethylamino)phenyl]sulfonyl-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide, Apoptosis regulator Bcl-2
著者Liu, J, Xu, M, Feng, Y, Liu, Y.
登録日2022-12-21
公開日2024-05-15
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Discovery of the Clinical Candidate Sonrotoclax (BGB-11417), a Highly Potent and Selective Inhibitor for Both WT and G101V Mutant Bcl-2.
J.Med.Chem., 67, 2024
8HTS
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BU of 8hts by Molmil
Crystal structure of Bcl2 in complex with S-10r
分子名称: 4-[2-[(2~{S})-2-(2-cyclopropylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]-~{N}-[3-nitro-4-(oxan-4-ylmethylamino)phenyl]sulfonyl-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide, Apoptosis regulator Bcl-2
著者Liu, J, Xu, M, Feng, Y, Liu, Y.
登録日2022-12-21
公開日2024-05-15
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Discovery of the Clinical Candidate Sonrotoclax (BGB-11417), a Highly Potent and Selective Inhibitor for Both WT and G101V Mutant Bcl-2.
J.Med.Chem., 67, 2024
6LB9
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BU of 6lb9 by Molmil
Magnesium ion-bound SspB crystal structure
分子名称: DUF4007 domain-containing protein, MAGNESIUM ION
著者Liqiong, L, Yubing, Z.
登録日2019-11-13
公開日2020-03-25
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.227 Å)
主引用文献SspABCD-SspE is a phosphorothioation-sensing bacterial defence system with broad anti-phage activities.
Nat Microbiol, 5, 2020
6LQE
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BU of 6lqe by Molmil
Crystal structure of Arabidopsis ARID5 PHD finger in complex with H3K4me3 peptide
分子名称: 15-mer peptide from Histone H3.2, AT-rich interactive domain-containing protein 4, ZINC ION
著者Liu, R, Du, J.
登録日2020-01-13
公開日2020-06-03
最終更新日2020-08-19
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Dual Recognition of H3K4me3 and DNA by the ISWI Component ARID5 Regulates the Floral Transition in Arabidopsis.
Plant Cell, 32, 2020
6LQF
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BU of 6lqf by Molmil
Crystal structure of Arabidopsis ARID5 ARID-PHD cassette in complex with H3K4me3 peptide and DNA
分子名称: 15-mer peptide from Histone H3.2, AT-rich interactive domain-containing protein 4, DNA (5'-D(*TP*TP*TP*AP*GP*AP*TP*CP*TP*AP*AP*A)-3'), ...
著者Liu, R, Du, J.
登録日2020-01-13
公開日2020-06-03
最終更新日2020-08-19
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Dual Recognition of H3K4me3 and DNA by the ISWI Component ARID5 Regulates the Floral Transition in Arabidopsis.
Plant Cell, 32, 2020
3KDU
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BU of 3kdu by Molmil
Crystal structure of peroxisome proliferator-activatedeceptor alpha (PPARalpha) complex with N-3-((2-(4-Chlorophenyl)-5-methyl-1,3-oxazol-4-yl)methoxy)benzyl)-N-((4-methylphenoxy)carbonyl)glycine
分子名称: N-(3-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy}benzyl)-N-[(4-methylphenoxy)carbonyl]glycine, Peroxisome proliferator-activated receptor alpha
著者Muckelbauer, J.K.
登録日2009-10-23
公開日2010-04-28
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Discovery of an oxybenzylglycine based peroxisome proliferator activated receptor alpha selective agonist 2-((3-((2-(4-chlorophenyl)-5-methyloxazol-4-yl)methoxy)benzyl)(methoxycarbonyl)amino)acetic acid (BMS-687453).
J.Med.Chem., 53, 2010
3KDT
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Crystal structure of peroxisome proliferator-activatedeceptor alpha (PPARalpha) complex with N-3-((2-(4-Chlorophenyl)-5-methyl-1,3-oxazol-4-yl)methoxy)benzyl)-N-(methoxycarbonyl)glycine
分子名称: N-(3-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy}benzyl)-N-(methoxycarbonyl)glycine, Peroxisome proliferator-activated receptor alpha
著者Muckelbauer, J.K.
登録日2009-10-23
公開日2010-04-28
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Discovery of an oxybenzylglycine based peroxisome proliferator activated receptor alpha selective agonist 2-((3-((2-(4-chlorophenyl)-5-methyloxazol-4-yl)methoxy)benzyl)(methoxycarbonyl)amino)acetic acid (BMS-687453).
J.Med.Chem., 53, 2010

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