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8J03
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Human KCNQ2(F104A)-CaM-PIP2-CBD complex in state I
分子名称: Calmodulin-1, Potassium voltage-gated channel subfamily KQT member 2, cannabidiol
著者Ma, D, Li, D, Guo, J.
登録日2023-04-09
公開日2023-12-06
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Ligand activation mechanisms of human KCNQ2 channel.
Nat Commun, 14, 2023
5ZFJ
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Crystal structure of a cyclase Filc from Fischerella sp. in complex with 4-(1H-Indol-3-yl)butan-2-one
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-(1~{H}-indol-3-yl)butan-2-one, CALCIUM ION, ...
著者Hu, X.Y, Liu, W.D, Chen, C.C, Guo, R.T.
登録日2018-03-06
公開日2018-12-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献The Crystal Structure of a Class of Cyclases that Catalyze the Cope Rearrangement
Angew. Chem. Int. Ed. Engl., 57, 2018
6A98
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Crystal structure of a cyclase from Fischerella sp. TAU
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, aromatic prenyltransferase, ...
著者Hu, X.Y, Liu, W.D, Chen, C.C, Guo, R.T.
登録日2018-07-12
公開日2018-12-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献The Crystal Structure of a Class of Cyclases that Catalyze the Cope Rearrangement
Angew. Chem. Int. Ed. Engl., 57, 2018
6A8X
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Crystal structure of a apo form cyclase from Fischerella sp.
分子名称: CALCIUM ION, aromatic prenyltransferase
著者Hu, X.Y, Liu, W.D, Chen, C.C, Guo, R.T.
登録日2018-07-11
公開日2018-12-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献The Crystal Structure of a Class of Cyclases that Catalyze the Cope Rearrangement
Angew. Chem. Int. Ed. Engl., 57, 2018
6A92
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Crystal structure of a cyclase Filc1 from Fischerella sp.
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, TETRAETHYLENE GLYCOL, ...
著者Hu, X.Y, Liu, W.D, Chen, C.C, Guo, R.T.
登録日2018-07-11
公開日2018-12-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献The Crystal Structure of a Class of Cyclases that Catalyze the Cope Rearrangement
Angew. Chem. Int. Ed. Engl., 57, 2018
6A99
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Crystal structure of a Stig cyclases Fisc from Fischerella sp. TAU in complex with (3Z)-3-(1-methyl-2-pyrrolidinylidene)-3H-indole
分子名称: (3~{Z})-3-(1-methylpyrrolidin-2-ylidene)indole, CALCIUM ION, MAGNESIUM ION, ...
著者Hu, X.Y, Liu, W.D, Chen, C.C, Guo, R.T.
登録日2018-07-12
公開日2018-12-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献The Crystal Structure of a Class of Cyclases that Catalyze the Cope Rearrangement
Angew. Chem. Int. Ed. Engl., 57, 2018
6ADU
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BU of 6adu by Molmil
Crystal structure of an enzyme in complex with ligand C
分子名称: (3~{Z})-3-(1-methylpyrrolidin-2-ylidene)indole, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, ...
著者Tan, X.K, Liu, W.D, Chen, C.C, Guo, R.T.
登録日2018-08-02
公開日2019-08-21
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献The Crystal Structure of a Class of Cyclases that Catalyze the Cope Rearrangement.
Angew.Chem.Int.Ed.Engl., 57, 2018
5HP2
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Human Adenosine Deaminase Acting on dsRNA (ADAR2) bound to dsRNA sequence derived from S. cerevisiae BDF2 gene with AU basepair at reaction site
分子名称: Double-stranded RNA-specific editase 1, INOSITOL HEXAKISPHOSPHATE, RNA (5'-R(*GP*AP*CP*UP*GP*AP*AP*CP*GP*AP*CP*UP*AP*AP*UP*GP*UP*GP*GP*GP*GP*AP*A)-3'), ...
著者Matthews, M.M, Fisher, A.J, Beal, P.A.
登録日2016-01-20
公開日2016-04-13
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.983 Å)
主引用文献Structures of human ADAR2 bound to dsRNA reveal base-flipping mechanism and basis for site selectivity.
Nat.Struct.Mol.Biol., 23, 2016
5HP3
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BU of 5hp3 by Molmil
Human Adenosine Deaminase Acting on dsRNA (ADAR2) bound to dsRNA sequence derived from S. cerevisiae BDF2 gene with AC mismatch at reaction site
分子名称: Double-stranded RNA-specific editase 1, INOSITOL HEXAKISPHOSPHATE, RNA (5'-R(*GP*AP*CP*UP*GP*AP*AP*CP*GP*AP*CP*CP*AP*AP*UP*GP*UP*GP*GP*GP*GP*AP*A)-3'), ...
著者Matthews, M.M, Fisher, A.J, Beal, P.A.
登録日2016-01-20
公開日2016-04-13
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.091 Å)
主引用文献Structures of human ADAR2 bound to dsRNA reveal base-flipping mechanism and basis for site selectivity.
Nat.Struct.Mol.Biol., 23, 2016
5HA9
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BU of 5ha9 by Molmil
Crystal structure-based design and disovery of a novel PARP1 antiagonist (BL-PA10) that induces apoptosis and inhibits metastasis in triple negative breast cancer
分子名称: Amitriptyline, GLYCEROL, Poly [ADP-ribose] polymerase 1, ...
著者Fu, L, Peng, H, Zhang, L, Ouyang, L.
登録日2015-12-30
公開日2016-03-09
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (4.01 Å)
主引用文献Crystal structure-based discovery of a novel synthesized PARP1 inhibitor (OL-1) with apoptosis-inducing mechanisms in triple-negative breast cancer.
Sci Rep, 6, 2016
6B0O
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BU of 6b0o by Molmil
Zinc finger Domain of WT1(-KTS form) with 12+1mer Oligonucleotide with 3' Triplet TGT
分子名称: 1,2-ETHANEDIOL, DNA (5'-D(*AP*GP*CP*GP*TP*GP*GP*GP*AP*GP*TP*GP*T)-3'), DNA (5'-D(*TP*AP*CP*AP*CP*TP*CP*CP*CP*AP*CP*GP*C)-3'), ...
著者Horton, J.R, Cheng, X.
登録日2017-09-14
公開日2018-01-03
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.552 Å)
主引用文献Role for first zinc finger of WT1 in DNA sequence specificity: Denys-Drash syndrome-associated WT1 mutant in ZF1 enhances affinity for a subset of WT1 binding sites.
Nucleic Acids Res., 46, 2018
6B0P
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BU of 6b0p by Molmil
Zinc finger Domain of WT1(-KTS form) with 12+1mer Oligonucleotide with 3' Triplet GGT
分子名称: 1,2-ETHANEDIOL, DNA (5'-D(P*AP*CP*CP*CP*TP*CP*CP*CP*AP*CP*GP*C)-3'), DNA (5'-D(P*GP*CP*GP*TP*GP*GP*GP*AP*GP*GP*GP*T)-3'), ...
著者Horton, J.R, Cheng, X.
登録日2017-09-14
公開日2018-01-03
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.077 Å)
主引用文献Role for first zinc finger of WT1 in DNA sequence specificity: Denys-Drash syndrome-associated WT1 mutant in ZF1 enhances affinity for a subset of WT1 binding sites.
Nucleic Acids Res., 46, 2018
6B0Q
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BU of 6b0q by Molmil
Zinc finger Domain of WT1(-KTS form) with 13+1mer Oligonucleotide with 3' Triplet TGT
分子名称: DNA (5'-D(P*AP*AP*CP*AP*CP*TP*CP*CP*CP*AP*CP*GP*C)-3'), DNA (5'-D(P*GP*CP*GP*TP*GP*GP*GP*AP*GP*TP*GP*TP*T)-3'), SULFATE ION, ...
著者Horton, J.R, Cheng, X.
登録日2017-09-14
公開日2018-01-03
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.794 Å)
主引用文献Role for first zinc finger of WT1 in DNA sequence specificity: Denys-Drash syndrome-associated WT1 mutant in ZF1 enhances affinity for a subset of WT1 binding sites.
Nucleic Acids Res., 46, 2018
6B0R
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BU of 6b0r by Molmil
Zinc finger Domain of WT1(-KTS form) with M342R Mutation and 14+1mer Oligonucleotide with 3' Triplet TGG
分子名称: 1,2-ETHANEDIOL, DNA (5'-D(*AP*GP*CP*GP*TP*GP*GP*GP*AP*GP*GP*GP*TP*TP*A)-3'), DNA (5'-D(P*TP*AP*AP*CP*CP*CP*TP*CP*CP*CP*AP*CP*GP*C)-3'), ...
著者Horton, J.R, Cheng, X.
登録日2017-09-14
公開日2018-01-03
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.818 Å)
主引用文献Role for first zinc finger of WT1 in DNA sequence specificity: Denys-Drash syndrome-associated WT1 mutant in ZF1 enhances affinity for a subset of WT1 binding sites.
Nucleic Acids Res., 46, 2018
6BLW
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BU of 6blw by Molmil
Zinc finger Domain of WT1(+KTS form) with M342R Mutation and 17+1mer Oligonucleotide with Triplet GGT
分子名称: 1,2-ETHANEDIOL, DNA (5'-D(*TP*AP*AP*CP*CP*CP*TP*CP*CP*CP*AP*TP*TP*TP*CP*GP*C)-3'), DNA (5'-D(P*GP*CP*GP*AP*AP*AP*TP*GP*GP*GP*AP*GP*GP*GP*TP*T)-3'), ...
著者Horton, J.R, Cheng, X.
登録日2017-11-11
公開日2018-01-03
最終更新日2018-05-16
実験手法X-RAY DIFFRACTION (1.835 Å)
主引用文献Role for first zinc finger of WT1 in DNA sequence specificity: Denys-Drash syndrome-associated WT1 mutant in ZF1 enhances affinity for a subset of WT1 binding sites.
Nucleic Acids Res., 46, 2018
5ZHE
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STRUCTURE OF E. COLI UNDECAPRENYL DIPHOSPHATE SYNTHASE IN COMPLEX WITH BPH-981
分子名称: 2-hydroxy-6-(tetradecyloxy)benzoic acid, Ditrans,polycis-undecaprenyl-diphosphate synthase ((2E,6E)-farnesyl-diphosphate specific)
著者Gao, J, Liu, W.D, Zheng, Y.Y, Ko, T.P, Chen, C.C, Guo, R.T.
登録日2018-03-13
公開日2019-03-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Discovery of Lipophilic Bisphosphonates That Target Bacterial Cell Wall and Quinone Biosynthesis.
J.Med.Chem., 62, 2019
6C83
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Structure of Aurora A (122-403) bound to inhibitory Monobody Mb2 and AMPPCP
分子名称: Aurora kinase A, Mb2 Monobody, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER
著者Hoemberger, M, Kutter, S, Zorba, A, Nguyen, V, Shohei, A, Shohei, K, Kern, D.
登録日2018-01-24
公開日2019-02-27
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Allosteric modulation of a human protein kinase with monobodies.
Proc.Natl.Acad.Sci.USA, 116, 2019
7DWA
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Structure of a novel beta-mannanase BaMan113A with mannotriose, N236Y mutation
分子名称: Endo-beta-1,4-mannanase, beta-D-mannopyranose-(1-4)-beta-D-mannopyranose-(1-4)-alpha-D-mannopyranose
著者Liu, W.T, Liu, W.D, Zheng, Y.Y.
登録日2021-01-15
公開日2021-06-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Functional and structural investigation of a novel beta-mannanase BaMan113A from Bacillus sp. N16-5.
Int.J.Biol.Macromol., 182, 2021
7DW8
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BU of 7dw8 by Molmil
Structure of a novel beta-mannanase BaMan113A with mannobiose, N236Y mutation.
分子名称: Endo-beta-1,4-mannanase, beta-D-mannopyranose-(1-4)-beta-D-mannopyranose
著者Liu, W.T, Liu, W.D, Zheng, Y.Y.
登録日2021-01-15
公開日2021-06-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Functional and structural investigation of a novel beta-mannanase BaMan113A from Bacillus sp. N16-5.
Int.J.Biol.Macromol., 182, 2021
7DVZ
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BU of 7dvz by Molmil
Structure of a novel beta-mannanase BaMan113A from Bacillus sp. N16-5, N236Y mutation.
分子名称: Endo-beta-1,4-mannanase
著者Liu, W.T, Liu, W.D, Zheng, Y.Y.
登録日2021-01-15
公開日2021-06-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Functional and structural investigation of a novel beta-mannanase BaMan113A from Bacillus sp. N16-5.
Int.J.Biol.Macromol., 182, 2021
5ZE6
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BU of 5ze6 by Molmil
CRYSTAL STRUCTURE OF OCTAPRENYL PYROPHOSPHATE SYNTHASE FROM ESCHERICHIA COLI WITH BPH-981
分子名称: 2-hydroxy-6-(tetradecyloxy)benzoic acid, MAGNESIUM ION, Octaprenyl diphosphate synthase
著者Han, X, Liu, W.D, Zheng, Y.Y, Ko, T.P, Chen, C.C, Guo, R.T.
登録日2018-02-26
公開日2019-02-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Discovery of Lipophilic Bisphosphonates That Target Bacterial Cell Wall and Quinone Biosynthesis.
J.Med.Chem., 62, 2019
5ZLF
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BU of 5zlf by Molmil
CRYSTAL STRUCTURE OF OCTAPRENYL PYROPHOSPHATE SYNTHASE FROM ESCHERICHIA COLI WITH ligand BPH-629
分子名称: MAGNESIUM ION, Octaprenyl diphosphate synthase, [2-(3-DIBENZOFURAN-4-YL-PHENYL)-1-HYDROXY-1-PHOSPHONO-ETHYL]-PHOSPHONIC ACID
著者Han, X, Liu, W.D, Zheng, Y.Y, Ko, T.P, Chen, C.C, Guo, R.T.
登録日2018-03-27
公開日2019-03-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.845 Å)
主引用文献Discovery of Lipophilic Bisphosphonates That Target Bacterial Cell Wall and Quinone Biosynthesis.
J.Med.Chem., 62, 2019
2M6Z
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BU of 2m6z by Molmil
Refined solution structure of Human Adult Hemoglobin in the Carbonmonoxy Form
分子名称: Hemoglobin subunit alpha, Hemoglobin subunit beta, PROTOPORPHYRIN IX CONTAINING FE
著者Fan, J.S, Yang, D, Choy, W.Y.
登録日2013-04-15
公開日2013-09-18
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Solution structure and dynamics of human hemoglobin in the carbonmonoxy form
Biochemistry, 52, 2013
5XXY
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BU of 5xxy by Molmil
Crystal structure of PD-L1 complexed with atezolizumab fab at 2.9A
分子名称: Programmed cell death 1 ligand 1, heavy chain of atezolizumab fab, light chain of atezolizumab fab
著者Zhou, A, Zhang, F.
登録日2017-07-05
公開日2017-09-20
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural basis of the therapeutic anti-PD-L1 antibody atezolizumab.
Oncotarget, 8, 2017
3TGE
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BU of 3tge by Molmil
A novel series of potent and selective PDE5 inhibitor1
分子名称: 7-(6-methoxypyridin-3-yl)-3-{[2-(morpholin-4-yl)ethyl]amino}-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2(1H)-one, MAGNESIUM ION, ZINC ION, ...
著者Han, S.
登録日2011-08-17
公開日2011-11-09
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Investigation of the pyrazinones as PDE5 inhibitors: Evaluation of regioisomeric projections into the solvent region.
Bioorg.Med.Chem.Lett., 21, 2011

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