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4QQZ
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Crystal structure of T. fusca Cas3-AMPPNP
分子名称: CRISPR-associated helicase, Cas3 family, DNA (5'-D(P*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*A)-3'), ...
著者Ke, A, Huo, Y, Nam, K.H.
登録日2014-06-30
公開日2014-08-27
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.93 Å)
主引用文献Structures of CRISPR Cas3 offer mechanistic insights into Cascade-activated DNA unwinding and degradation.
Nat.Struct.Mol.Biol., 21, 2014
4QQY
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Crystal structure of T. fusca Cas3-ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, CRISPR-associated helicase, Cas3 family, ...
著者Ke, A, Huo, Y, Nam, K.H.
登録日2014-06-30
公開日2014-08-27
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.12 Å)
主引用文献Structures of CRISPR Cas3 offer mechanistic insights into Cascade-activated DNA unwinding and degradation.
Nat.Struct.Mol.Biol., 21, 2014
4W5X
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The structure of Vaccina virus H7 protein displays A Novel Phosphoinositide binding fold required for membrane biogenesis
分子名称: Late protein H7
著者Kolli, S, Deng, J.
登録日2014-08-19
公開日2014-12-31
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.002 Å)
主引用文献Structure-function analysis of vaccinia virus h7 protein reveals a novel phosphoinositide binding fold essential for poxvirus replication.
J.Virol., 89, 2015
4O0Y
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Back pocket flexibility provides group-II PAK selectivity for type 1 kinase inhibitors
分子名称: 4-[1-(4-amino-1,3,5-triazin-2-yl)-2-(ethylamino)-1H-benzimidazol-6-yl]-2-methylbut-3-yn-2-ol, Serine/threonine-protein kinase PAK 4
著者Rouge, L, Tam, C, Wang, W.
登録日2013-12-14
公開日2014-02-12
最終更新日2014-02-26
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Back Pocket Flexibility Provides Group II p21-Activated Kinase (PAK) Selectivity for Type I 1/2 Kinase Inhibitors.
J.Med.Chem., 57, 2014
7FCC
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IL-1RAcPb TIR domain
分子名称: Isoform 4 of Interleukin-1 receptor accessory protein
著者Wang, X, Zhou, J.
登録日2021-07-14
公開日2022-07-20
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.144 Å)
主引用文献Structural basis of the IL-1 receptor TIR domain-mediated IL-1 signaling
Iscience, 25, 2022
7FCJ
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Zebrafish SIGIRR TIR domain mutant - C299S
分子名称: SIGIRR protein
著者Wang, X, Zhou, J.
登録日2021-07-15
公開日2022-07-20
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Structural basis of the IL-1 receptor TIR domain-mediated IL-1 signaling
Iscience, 25, 2022
7FCH
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IL-18Rbeta TIR domain
分子名称: Interleukin-18 receptor accessory protein
著者Wang, X, Zhou, J.
登録日2021-07-14
公開日2022-07-20
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.883 Å)
主引用文献Structural basis of the IL-1 receptor TIR domain-mediated IL-1 signaling
Iscience, 25, 2022
7FD3
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IL-1RAPL2 TIR domain
分子名称: X-linked interleukin-1 receptor accessory protein-like 2
著者Wang, X, Zhou, J.
登録日2021-07-15
公開日2022-07-20
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.99 Å)
主引用文献Structural basis of the IL-1 receptor TIR domain-mediated IL-1 signaling
Iscience, 25, 2022
7FCL
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Zebrafish SIGIRR TIR domain
分子名称: SIGIRR protein
著者Wang, X, Zhou, J.
登録日2021-07-15
公開日2022-07-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.04 Å)
主引用文献Structural basis of the IL-1 receptor TIR domain-mediated IL-1 signaling
Iscience, 25, 2022
4WQ6
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The crystal structure of human Nicotinamide phosphoribosyltransferase (NAMPT) in complex with N-(4-{(S)-[1-(2-methylpropyl)piperidin-4-yl]sulfinyl}benzyl)furo[2,3-c]pyridine-2-carboxamide inhibitor (compound 21)
分子名称: 1,2-ETHANEDIOL, N-(4-{(S)-[1-(2-methylpropyl)piperidin-4-yl]sulfinyl}benzyl)furo[2,3-c]pyridine-2-carboxamide, Nicotinamide phosphoribosyltransferase, ...
著者Li, D, Wang, W.
登録日2014-10-21
公開日2015-02-11
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Identification of nicotinamide phosphoribosyltransferase (NAMPT) inhibitors with no evidence of CYP3A4 time-dependent inhibition and improved aqueous solubility.
Bioorg.Med.Chem.Lett., 25, 2015
4O0R
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Back pocket flexibility provides group-II PAK selectivity for type 1 kinase inhibitors
分子名称: PF-3758309, Serine/threonine-protein kinase PAK 1
著者Rouge, L, Tam, C, Wang, W.
登録日2013-12-14
公開日2014-02-12
最終更新日2019-01-30
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Back Pocket Flexibility Provides Group II p21-Activated Kinase (PAK) Selectivity for Type I 1/2 Kinase Inhibitors.
J.Med.Chem., 57, 2014
8HTX
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Crystal structure of BANP in complex with methylated DNA
分子名称: DNA (5'-D(*CP*TP*CP*TP*(5CM)P*GP*CP*GP*AP*GP*AP*G)-3'), Protein BANP
著者Zhang, J, Min, J, Liu, K.
登録日2022-12-21
公開日2023-05-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural insights into DNA recognition by the BEN domain of the transcription factor BANP.
J.Biol.Chem., 299, 2023
4O0T
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Back pocket flexibility provides group-II PAK selectivity for type 1 kinase inhibitors
分子名称: 1-({1-(2-aminopyrimidin-4-yl)-2-[(2-methoxyethyl)amino]-1H-benzimidazol-6-yl}ethynyl)cyclohexanol, Serine/threonine-protein kinase PAK 1
著者Oh, A, Tam, C, Wang, W.
登録日2013-12-14
公開日2014-02-12
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Back Pocket Flexibility Provides Group II p21-Activated Kinase (PAK) Selectivity for Type I 1/2 Kinase Inhibitors.
J.Med.Chem., 57, 2014
4O0V
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BU of 4o0v by Molmil
Back pocket flexibility provides group-II PAK selectivity for type 1 kinase inhibitors
分子名称: 1-({1-(2-aminopyrimidin-4-yl)-2-[(2-methoxyethyl)amino]-1H-benzimidazol-6-yl}ethynyl)cyclohexanol, Serine/threonine-protein kinase PAK 4
著者Rouge, L, Tam, C, Wang, W.
登録日2013-12-14
公開日2014-02-12
最終更新日2014-02-26
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Back Pocket Flexibility Provides Group II p21-Activated Kinase (PAK) Selectivity for Type I 1/2 Kinase Inhibitors.
J.Med.Chem., 57, 2014
4O0X
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Back pocket flexibility provides group-II PAK selectivity for type 1 kinase inhibitors
分子名称: 1-{[1-(4-amino-1,3,5-triazin-2-yl)-2-methyl-1H-benzimidazol-6-yl]ethynyl}cyclohexanol, Serine/threonine-protein kinase PAK 4
著者Rouge, L, Tam, C, Wang, W.
登録日2013-12-14
公開日2014-02-12
最終更新日2014-11-05
実験手法X-RAY DIFFRACTION (2.483 Å)
主引用文献Back Pocket Flexibility Provides Group II p21-Activated Kinase (PAK) Selectivity for Type I 1/2 Kinase Inhibitors.
J.Med.Chem., 57, 2014
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
4EI4
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JAK1 kinase (JH1 domain) in complex with compound 20
分子名称: (1R,3R)-3-(2-methylimidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(8H)-yl)cyclohexanol, Tyrosine-protein kinase JAK1
著者Eigenbrot, C, Steffek, M.
登録日2012-04-04
公開日2012-07-04
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Discovery and optimization of C-2 methyl imidazopyrrolopyridines as potent and orally bioavailable JAK1 inhibitors with selectivity over JAK2.
J.Med.Chem., 55, 2012
4EHZ
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The Jak1 kinase domain in complex with inhibitor
分子名称: 1,2-ETHANEDIOL, 2-methyl-1-(piperidin-4-yl)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine, Tyrosine-protein kinase JAK1
著者Lupardus, P.J, Steffek, M.
登録日2012-04-04
公開日2012-07-04
最終更新日2013-01-23
実験手法X-RAY DIFFRACTION (2.174 Å)
主引用文献Discovery and optimization of C-2 methyl imidazopyrrolopyridines as potent and orally bioavailable JAK1 inhibitors with selectivity over JAK2.
J.Med.Chem., 55, 2012
4F09
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Discovery and Optimization of C-2 Methyl Imidazo-pyrrolopyridines as Potent and Orally Bioavailable JAK1 Inhibitors with Selectivity over JAK2
分子名称: 2-methyl-1-(piperidin-4-yl)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine, Tyrosine-protein kinase JAK2
著者Murray, J.M.
登録日2012-05-03
公開日2012-07-04
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Discovery and Optimization of C-2 Methyl Imidazopyrrolopyridines as Potent and Orally Bioavailable JAK1 Inhibitors with Selectivity over JAK2.
J.Med.Chem., 55, 2012
4F08
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Discovery and Optimization of C-2 Methyl Imidazo-pyrrolopyridines as Potent and Orally Bioavailable JAK1 Inhibitors with Selectivity over JAK2
分子名称: 1-(piperidin-4-yl)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine, Tyrosine-protein kinase JAK2
著者Murray, J.M.
登録日2012-05-03
公開日2012-07-04
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.82 Å)
主引用文献Discovery and Optimization of C-2 Methyl Imidazopyrrolopyridines as Potent and Orally Bioavailable JAK1 Inhibitors with Selectivity over JAK2.
J.Med.Chem., 55, 2012
4KFN
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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
1NIY
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THREE DIMENSIONAL SOLUTION STRUCTURE OF HAINANTOXIN-IV BY 2D 1H-NMR
分子名称: HAINANTOXIN-IV
著者Li, D, Lu, S, Gu, X, Liang, S.
登録日2002-12-30
公開日2003-01-14
最終更新日2017-11-29
実験手法SOLUTION NMR
主引用文献Structure-Activity Relationships of Hainantoxin-IV and Structure Determination of Active and Inactive Sodium Channel Blockers.
J.Biol.Chem., 279, 2004
1NIX
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THREE DIMENSIONAL SOLUTION STRUCTURE OF HAINANTOXIN-I BY 2D 1H-NMR
分子名称: HAINANTOXIN-I
著者Li, D, Liang, S.
登録日2002-12-29
公開日2003-01-14
最終更新日2017-11-29
実験手法SOLUTION NMR
主引用文献Function and solution structure of hainantoxin-I, a novel insect sodium channel inhibitor from the Chinese bird spider Selenocosmia hainana.
Febs Lett., 555, 2003
4KFO
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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
5YSW
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Crystal Structure Analysis of Rif16 in complex with R-L
分子名称: (2S,12E,14E,16S,17S,18R,19R,20R,21S,22R,23S,24E)-21-(acetyloxy)-5,6,17,19-tetrahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-1,11-dioxo-1,2-dihydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-9-yl hydroxyacetate, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE
著者Li, F.W, Qi, F.F, Xiao, Y.L, Zhao, G.P, Li, S.Y.
登録日2017-11-15
公開日2018-07-04
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Deciphering the late steps of rifamycin biosynthesis.
Nat Commun, 9, 2018

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