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4O17
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BU of 4o17 by Molmil
Structural Basis for Resistance to Diverse Classes of NAMPT Inhibitors
分子名称: 1,2-ETHANEDIOL, Nicotinamide phosphoribosyltransferase, PHOSPHATE ION
著者Oh, A, Coons, M, Brillantes, B, Wang, W.
登録日2013-12-15
公開日2014-10-22
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Structural Basis for Resistance to Diverse Classes of NAMPT Inhibitors.
Plos One, 9, 2014
4O1A
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BU of 4o1a by Molmil
The crystal structure of the mutant NAMPT G217R
分子名称: 1,2-ETHANEDIOL, Nicotinamide phosphoribosyltransferase, PHOSPHATE ION
著者Oh, A, Coons, M, Brillantes, B, Wang, W.
登録日2013-12-15
公開日2014-10-22
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Structural Basis for Resistance to Diverse Classes of NAMPT Inhibitors.
Plos One, 9, 2014
4O28
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Structural Basis for Resistance to Diverse Classes of NAMPT Inhibitors
分子名称: 1,2-ETHANEDIOL, N-{4-[(3,5-difluorophenyl)sulfonyl]benzyl}imidazo[1,2-a]pyridine-6-carboxamide, Nicotinamide phosphoribosyltransferase, ...
著者Oh, A, Coons, M, Brillantes, B, Wang, W.
登録日2013-12-17
公開日2014-10-22
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural Basis for Resistance to Diverse Classes of NAMPT Inhibitors.
Plos One, 9, 2014
4O1B
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BU of 4o1b by Molmil
The crystal structure of a mutant NAMPT (G217R) in complex with an inhibitor APO866
分子名称: (2E)-N-{4-[1-(benzenecarbonyl)piperidin-4-yl]butyl}-3-(pyridin-3-yl)prop-2-enamide, 1,2-ETHANEDIOL, Nicotinamide phosphoribosyltransferase, ...
著者Oh, A, Coons, M, Brillantes, B, Wang, W.
登録日2013-12-15
公開日2014-10-22
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structural Basis for Resistance to Diverse Classes of NAMPT Inhibitors.
Plos One, 9, 2014
4O1D
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BU of 4o1d by Molmil
Structural Basis for Resistance to Diverse Classes of NAMPT Inhibitors
分子名称: (2E)-N-{4-[1-(benzenecarbonyl)piperidin-4-yl]butyl}-3-(pyridin-3-yl)prop-2-enamide, 1,2-ETHANEDIOL, Nicotinamide phosphoribosyltransferase, ...
著者Oh, A, Coons, M, Brillantes, B, Wang, W.
登録日2013-12-15
公開日2014-10-22
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.705 Å)
主引用文献Structural Basis for Resistance to Diverse Classes of NAMPT Inhibitors.
Plos One, 9, 2014
4O13
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BU of 4o13 by Molmil
The crystal structure of NAMPT in complex with GNE-618
分子名称: 1,2-ETHANEDIOL, N-(4-{[3-(trifluoromethyl)phenyl]sulfonyl}benzyl)-2H-pyrazolo[3,4-b]pyridine-5-carboxamide, Nicotinamide phosphoribosyltransferase, ...
著者Oh, A, Coons, M, Brillantes, B, Wang, W.
登録日2013-12-15
公開日2014-10-22
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural Basis for Resistance to Diverse Classes of NAMPT Inhibitors.
Plos One, 9, 2014
4O18
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BU of 4o18 by Molmil
Structural Basis for Resistance to Diverse Classes of NAMPT Inhibitors
分子名称: 1,2-ETHANEDIOL, Nicotinamide phosphoribosyltransferase, PHOSPHATE ION
著者Oh, A, Coons, M, Brillantes, B, Wang, W.
登録日2013-12-15
公開日2014-10-22
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Structural Basis for Resistance to Diverse Classes of NAMPT Inhibitors.
Plos One, 9, 2014
4QVX
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BU of 4qvx by Molmil
Discovery of a Potent and Selective BCL-XL Inhibitor That Demonstrates Thrombocytopenia and Inhibits Tumor Growth in Vivo
分子名称: 2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydroisoquinolin-2(1H)-yl]-5-(3-{4-[3-(dimethylamino)prop-1-yn-1-yl]-2-fluorophenoxy}propyl)-1,3-thiazole-4-carboxylic acid, Bcl-2-like protein 1
著者Park, C.H.
登録日2014-07-16
公開日2015-07-22
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Discovery of a Potent and Selective BCL-XL Inhibitor with in Vivo Activity.
ACS MED.CHEM.LETT., 5, 2014
2HFR
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BU of 2hfr by Molmil
solution structure of antimicrobial peptide Fowlicidin 3
分子名称: Fowlicidin-3
著者Bommineni, Y.R, Dai, H, Gong, Y, Prakash, O, Zhang, G.
登録日2006-06-26
公開日2007-04-17
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Fowlicidin-3 is an alpha-helical cationic host defense peptide with potent antibacterial and lipopolysaccharide-neutralizing activities.
Febs J., 274, 2007
3WFN
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BU of 3wfn by Molmil
Crystal Structure of Nav1.6 IQ motif in complex with apo-CaM
分子名称: Calmodulin, Sodium channel protein type 8 subunit alpha
著者Chichili, V.P.R, Sivaraman, J.
登録日2013-07-23
公開日2013-08-28
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural Basis for the Modulation of the Neuronal Voltage-Gated Sodium Channel NaV1.6 by Calmodulin
Sci Rep, 3, 2013
8HLT
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BU of 8hlt by Molmil
The co-crystal structure of DYRK2 with YK-2-99B
分子名称: (6-{[(4P)-4-(1,3-benzothiazol-5-yl)-5-fluoropyrimidin-2-yl]amino}pyridin-3-yl)(piperazin-1-yl)methanone, Dual specificity tyrosine-phosphorylation-regulated kinase 2
著者Shen, H.T, Xiao, Y.B, Yuan, K, Yang, P, Li, Q.N.
登録日2022-12-01
公開日2023-12-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Discovery of Potent DYRK2 Inhibitors with High Selectivity, Great Solubility, and Excellent Safety Properties for the Treatment of Prostate Cancer.
J.Med.Chem., 66, 2023
8JAY
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BU of 8jay by Molmil
CrtSPARTA Octamer bound with guide-target
分子名称: DNA (25-MER), MAGNESIUM ION, Piwi domain-containing protein, ...
著者Guo, L.J, Huang, P.P, Li, Z.X, Xiao, Y.B, Chen, M.R.
登録日2023-05-07
公開日2024-03-20
最終更新日2024-04-10
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献Auto-inhibition and activation of a short Argonaute-associated TIR-APAZ defense system.
Nat.Chem.Biol., 20, 2024
2I1T
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BU of 2i1t by Molmil
Solution structure of Jingzhaotoxin-III, a novel toxin inhibiting both Nav and Kv channels
分子名称: Jingzhaotoxin-3
著者Liao, Z, Peng, K, Liang, S.
登録日2006-08-15
公開日2006-08-29
最終更新日2022-03-09
実験手法SOLUTION NMR
主引用文献Solution structure of Jingzhaotoxin-III, a novel toxin inhibiting both Nav and Kv channels
To be Published
7VUN
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BU of 7vun by Molmil
Design, modification, evaluation and cocrystal studies of novel phthalimides regulating PD-1/PD-L1 interaction
分子名称: (2~{S},3~{S})-2-[[6-[(3-cyanophenyl)methoxy]-2-(2-methyl-3-phenyl-phenyl)-1,3-bis(oxidanylidene)isoindol-5-yl]methylamino]-3-oxidanyl-butanoic acid, Programmed cell death 1 ligand 1
著者Cheng, Y, Sun, C.L, Chen, M.R, Yang, P, Xiao, Y.B.
登録日2021-11-03
公開日2022-09-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.701 Å)
主引用文献Novel phthalimides regulating PD-1/PD-L1 interaction as potential immunotherapy agents.
Acta Pharm Sin B, 12, 2022
4KFN
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BU of 4kfn by Molmil
Structure-Based Discovery of Novel Amide-Containing Nicotinamide Phosphoribosyltransferase (Nampt) Inhibitors
分子名称: 1,2-ETHANEDIOL, N-[4-(piperidin-1-ylsulfonyl)benzyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide, Nicotinamide phosphoribosyltransferase, ...
著者Zheng, X, Bauer, P, Baumeister, T, Buckmelter, A.J, Caligiuri, M, Clodfelter, K.H, Han, B, Ho, Y, Kley, N, Lin, J, Reynolds, D.J, Sharma, G, Smith, C.C, Wang, Z, Dragovich, P.S, Gunzner-Toste, J, Liederer, B.M, Ly, J, O'Brien, T, Oh, A, Wang, L, Wang, W, Xiao, Y, Zak, M, Zhao, G, Yuen, P, Bair, K.W.
登録日2013-04-27
公開日2013-05-08
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure-based identification of ureas as novel nicotinamide phosphoribosyltransferase (nampt) inhibitors.
J.Med.Chem., 56, 2013
4KFO
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BU of 4kfo by Molmil
Structure-Based Discovery of Novel Amide-Containing Nicotinamide Phosphoribosyltransferase (Nampt) Inhibitors
分子名称: 1,2-ETHANEDIOL, N-{4-[(3,5-difluorophenyl)sulfonyl]benzyl}imidazo[1,2-a]pyridine-6-carboxamide, Nicotinamide phosphoribosyltransferase, ...
著者Zheng, X, Bauer, P, Baumeister, T, Buckmelter, A.J, Caligiuri, M, Clodfelter, K.H, Han, B, Ho, Y, Kley, N, Lin, J, Reynolds, D.J, Sharma, G, Smith, C.C, Wang, Z, Dragovich, P.S, Gunzner-Tosteb, J, Liederer, B.M, Ly, J, O'Brien, T, Oh, A, Wang, L, Wang, W, Xiao, Y, Zak, M, Zhao, G, Yuen, P, Bair, K.W.
登録日2013-04-27
公開日2013-05-08
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure-based identification of ureas as novel nicotinamide phosphoribosyltransferase (nampt) inhibitors.
J.Med.Chem., 56, 2013
6B4U
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BU of 6b4u by Molmil
Crystal structure of MCL-1 in complex with a BIM competitive inhibitor
分子名称: 7-(2-methylphenyl)-1-[2-(morpholin-4-yl)ethyl]-3-{3-[(naphthalen-1-yl)oxy]propyl}-1H-indole-2-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1
著者Judge, R.A, Souers, A.J.
登録日2017-09-27
公開日2017-10-04
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structure-guided design of a series of MCL-1 inhibitors with high affinity and selectivity.
J. Med. Chem., 58, 2015
6B4L
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BU of 6b4l by Molmil
Crystal structure of MCL-1 in complex with a BIM competitive inhibitor
分子名称: 3-{3-[(naphthalen-1-yl)oxy]propyl}-1H-indole-2-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1
著者Judge, R.A, Souers, A.J.
登録日2017-09-26
公開日2017-10-04
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structure-guided design of a series of MCL-1 inhibitors with high affinity and selectivity.
J. Med. Chem., 58, 2015
8J0K
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BU of 8j0k by Molmil
Crystal structure of human TFAP2A in complex with DNA
分子名称: DNA (5'-D(*CP*TP*GP*CP*CP*TP*CP*GP*GP*GP*CP*AP*C)-3'), DNA (5'-D(*GP*TP*GP*CP*CP*CP*GP*AP*GP*GP*CP*AP*G)-3'), GLYCEROL, ...
著者Liu, K, Xiao, Y.Q, Li, W.F, Min, J.R.
登録日2023-04-11
公開日2023-07-05
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural basis for specific DNA sequence motif recognition by the TFAP2 transcription factors.
Nucleic Acids Res., 51, 2023
8J0Q
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BU of 8j0q by Molmil
Structure of DNA binding domain of human TFAP2B
分子名称: GLYCEROL, Transcription factor AP-2-beta
著者Liu, K, Xiao, Y.Q, Li, W.F, Min, J.R.
登録日2023-04-11
公開日2023-07-05
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural basis for specific DNA sequence motif recognition by the TFAP2 transcription factors.
Nucleic Acids Res., 51, 2023
8J0L
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BU of 8j0l by Molmil
Structure of DNA binding Domain of Human TFAP2A
分子名称: GLYCEROL, Transcription factor AP-2-alpha
著者Liu, K, Xiao, Y.Q, Gan, L.Y, Min, J.R.
登録日2023-04-11
公開日2023-07-05
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Structural basis for specific DNA sequence motif recognition by the TFAP2 transcription factors.
Nucleic Acids Res., 51, 2023
8J0R
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BU of 8j0r by Molmil
Structure of human TFAP2A in complex with DNA
分子名称: DI(HYDROXYETHYL)ETHER, DNA (5'-D(*CP*TP*GP*CP*CP*TP*CP*AP*GP*GP*CP*AP*C)-3'), DNA (5'-D(*GP*TP*GP*CP*CP*TP*GP*AP*GP*GP*CP*AP*G)-3'), ...
著者Liu, K, Xiao, Y.Q, Li, W.F, Min, J.R.
登録日2023-04-11
公開日2023-07-05
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural basis for specific DNA sequence motif recognition by the TFAP2 transcription factors.
Nucleic Acids Res., 51, 2023
8J9G
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BU of 8j9g by Molmil
CrtSPARTA hetero-dimer bound with guide-target, state 1
分子名称: DNA (25-MER), MAGNESIUM ION, Piwi domain-containing protein, ...
著者Li, Z.X, Guo, L.J, Huang, P.P, Xiao, Y.B, Chen, M.R.
登録日2023-05-03
公開日2024-03-06
最終更新日2024-04-10
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Auto-inhibition and activation of a short Argonaute-associated TIR-APAZ defense system.
Nat.Chem.Biol., 20, 2024
8J8H
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BU of 8j8h by Molmil
SPARTA monomer bound with guide-target, state 2
分子名称: DNA (25-MER), MAGNESIUM ION, Piwi domain-containing protein, ...
著者Li, Z.X, Guo, L.J, Huang, P.P, Xiao, Y.B, Chen, M.R.
登録日2023-05-01
公開日2024-03-06
最終更新日2024-04-10
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Auto-inhibition and activation of a short Argonaute-associated TIR-APAZ defense system.
Nat.Chem.Biol., 20, 2024
8J9P
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BU of 8j9p by Molmil
SPARTA dimer bound with guide-target
分子名称: DNA (25-MER), MAGNESIUM ION, Piwi domain-containing protein, ...
著者Li, Z.X, Guo, L.J, Huang, P.P, Xiao, Y.B, Chen, M.R.
登録日2023-05-04
公開日2024-03-06
最終更新日2024-04-10
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Auto-inhibition and activation of a short Argonaute-associated TIR-APAZ defense system.
Nat.Chem.Biol., 20, 2024

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件を2024-08-07に公開中

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