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6GJ5
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BU of 6gj5 by Molmil
CRYSTAL STRUCTURE OF KRAS G12D (GPPCP) IN COMPLEX WITH 15
分子名称: (3~{S})-3-[2-[(2~{R})-pyrrolidin-2-yl]-1~{H}-indol-3-yl]-2,3-dihydroisoindol-1-one, GTPase KRas, MAGNESIUM ION, ...
著者Kessler, D, Mcconnell, D.M, Mantoulidis, A.
登録日2018-05-16
公開日2019-07-31
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.499 Å)
主引用文献Drugging an undruggable pocket on KRAS.
Proc.Natl.Acad.Sci.USA, 116, 2019
5V83
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BU of 5v83 by Molmil
Structure of DCN1 bound to NAcM-HIT
分子名称: Lysozyme,DCN1-like protein 1 chimera, N-(1-benzylpiperidin-4-yl)-N'-[3-(trifluoromethyl)phenyl]urea
著者Guy, R.K, Schulman, B.A, Scott, D.C, Hammill, J.T.
登録日2017-03-21
公開日2017-05-24
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.002 Å)
主引用文献Blocking an N-terminal acetylation-dependent protein interaction inhibits an E3 ligase.
Nat. Chem. Biol., 13, 2017
5VZ3
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BU of 5vz3 by Molmil
Growth Factor Crystal Structure at 1.97 Angstrom Resolution
分子名称: Growth/differentiation factor 15
著者Lakshminarasimhan, D, White, A, Suto, R.K.
登録日2017-05-26
公開日2017-09-27
最終更新日2017-10-25
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Non-homeostatic body weight regulation through a brainstem-restricted receptor for GDF15.
Nature, 550, 2017
5ZFZ
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BU of 5zfz by Molmil
Crystal structure of human DUX4 homeodomains bound to A12T DNA mutant
分子名称: DNA (5'-D(*CP*CP*AP*CP*TP*AP*AP*CP*CP*TP*AP*TP*TP*CP*AP*CP*AP*CP*C)-3'), DNA (5'-D(*GP*GP*TP*GP*TP*GP*AP*AP*TP*AP*GP*GP*TP*TP*AP*GP*TP*GP*G)-3'), Double homeobox protein 4-like protein 4
著者Li, Y.Y, Wu, B.X, Gan, J.H.
登録日2018-03-07
公開日2018-10-31
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural basis for multiple gene regulation by human DUX4.
Biochem. Biophys. Res. Commun., 505, 2018
6DUN
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BU of 6dun by Molmil
Crystal Structure Analysis of PIN1
分子名称: Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, TRIHYDROXYARSENITE(III)
著者Seo, H.-S, Dhe-Paganon, S.
登録日2018-06-21
公開日2019-03-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Arsenic targets Pin1 and cooperates with retinoic acid to inhibit cancer-driving pathways and tumor-initiating cells.
Nat Commun, 9, 2018
3CGW
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BU of 3cgw by Molmil
Crystal structure of 2-phospho-(S)-lactate transferase from Methanosarcina mazei. Northeast Structural Genomics Consortium target MaR46
分子名称: LPPG:FO 2-phospho-L-lactate transferase
著者Forouhar, F, Abashidze, M, Seetharaman, J, Vorobiev, S.M, Ciao, M, Janjua, H, Xiao, R, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
登録日2008-03-06
公開日2008-03-18
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Molecular insights into the biosynthesis of the f420 coenzyme.
J.Biol.Chem., 283, 2008
2M75
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BU of 2m75 by Molmil
The C-terminal Region of Disintegrin Modulate its 3D Conformation and Cooperate with RGD Loop in Regulating Recognitions of Integrins
分子名称: Zinc metalloproteinase/disintegrin
著者Chuang, W, Chang, Y, Shiu, J.
登録日2013-04-18
公開日2013-05-22
実験手法SOLUTION NMR
主引用文献The C-terminal Region of Disintegrin Modulate its 3D Conformation and Cooperate with RGD Loop in Regulating Recognitions of Integrins
To be Published
2M7H
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BU of 2m7h by Molmil
The C-terminal Region of Disintegrin Modulate its 3D Conformation and Cooperate with RGD Loop in Regulating Integrin alpha-IIb beta-3 Recognition
分子名称: Zinc metalloproteinase/disintegrin
著者Chuang, W, Chang, Y.
登録日2013-04-22
公開日2013-05-22
実験手法SOLUTION NMR
主引用文献The C-terminal Region of Disintegrin Modulate its 3D Conformation and Cooperate with RGD Loop in Regulating Recognitions of Integrins
To be Published
4ZOL
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BU of 4zol by Molmil
Crystal Structure of Tubulin-Stathmin-TTL-Tubulysin M Complex
分子名称: (2R,4R)-4-{[(2-{(1R,3R)-1-(acetyloxy)-4-methyl-3-[methyl(N-{[(2S)-1-methylpiperidin-2-yl]carbonyl}-D-isoleucyl)amino]pentyl}-1,3-thiazol-4-yl)carbonyl]amino}-2-methyl-5-phenylpentanoic acid, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
著者Wang, Y, Zhang, R.
登録日2015-05-06
公開日2016-07-27
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural Insights into the Pharmacophore of Vinca Domain Inhibitors of Microtubules
Mol.Pharmacol., 89, 2016
5ZFW
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BU of 5zfw by Molmil
Crystal structure of human DUX4 homeodomains bound to A11G DNA mutant
分子名称: DNA (5'-D(*CP*CP*AP*CP*TP*AP*AP*CP*CP*TP*GP*AP*TP*CP*AP*CP*AP*CP*C)-3'), DNA (5'-D(*GP*GP*TP*GP*TP*GP*AP*TP*CP*AP*GP*GP*TP*TP*AP*GP*TP*GP*G)-3'), Double homeobox protein 4-like protein 4
著者Li, Y.Y, Wu, B.X, Gan, J.H.
登録日2018-03-07
公開日2018-10-31
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.103 Å)
主引用文献Structural basis for multiple gene regulation by human DUX4.
Biochem. Biophys. Res. Commun., 505, 2018
7XJG
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BU of 7xjg by Molmil
Cryo-EM structure of E.coli retron-Ec86 in complex with its effector at 2.5 angstrom
分子名称: DNA (105-MER), MAGNESIUM ION, RNA (14-MER), ...
著者Wang, Y.J, Guan, Z.Y, Zou, T.T.
登録日2022-04-17
公開日2022-09-14
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (2.51 Å)
主引用文献Cryo-EM structures of Escherichia coli Ec86 retron complexes reveal architecture and defence mechanism.
Nat Microbiol, 7, 2022
5ZFY
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BU of 5zfy by Molmil
Crystal structure of human DUX4 homeodomains bound to A12C DNA mutant
分子名称: DNA (5'-D(*CP*CP*AP*CP*TP*AP*AP*CP*CP*TP*AP*CP*TP*CP*AP*CP*AP*CP*C)-3'), DNA (5'-D(*GP*GP*TP*GP*TP*GP*AP*GP*TP*AP*GP*GP*TP*TP*AP*GP*TP*GP*G)-3'), Double homeobox protein 4-like protein 4
著者Li, Y.Y, Wu, B.X, Gan, J.H.
登録日2018-03-07
公開日2018-10-31
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural basis for multiple gene regulation by human DUX4.
Biochem. Biophys. Res. Commun., 505, 2018
8WMI
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BU of 8wmi by Molmil
Cryo-EM structure of DiCas7-11 mutant in complex with crRNA
分子名称: CRISPR-associated RAMP family protein, ZINC ION, crRNA (39-MER)
著者Ma, H.Y, Tang, X.D.
登録日2023-10-03
公開日2024-05-29
実験手法ELECTRON MICROSCOPY (3.53 Å)
主引用文献Structural basis of negative regulation of CRISPR-Cas7-11 by TPR-CHAT.
Signal Transduct Target Ther, 9, 2024
7CNU
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BU of 7cnu by Molmil
Crystal structure of DLC2 in complex with BMF peptide
分子名称: Bcl-2-modifying factor, Dynein light chain 2, cytoplasmic
著者Wen, Y, Shao, Y.
登録日2020-08-03
公開日2021-08-11
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Non-canonical phosphorylation of Bmf by p38 MAPK promotes its apoptotic activity in anoikis.
Cell Death Differ., 29, 2022
8X3R
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BU of 8x3r by Molmil
Crystal structure of human WDR5 in complex with WDR5
分子名称: WD repeat-containing protein 5
著者Liu, Y, Huang, X.
登録日2023-11-14
公開日2024-05-29
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献The NTE domain of PTEN alpha / beta promotes cancer progression by interacting with WDR5 via its SSSRRSS motif.
Cell Death Dis, 15, 2024
8WM4
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BU of 8wm4 by Molmil
Cryo-EM structure of DiCas7-11 in complex with crRNA
分子名称: CRISPR-associated RAMP family protein, ZINC ION, crRNA (38-MER)
著者Ma, H.Y, Tang, X.D.
登録日2023-10-02
公開日2024-05-29
実験手法ELECTRON MICROSCOPY (2.93 Å)
主引用文献Structural basis of negative regulation of CRISPR-Cas7-11 by TPR-CHAT.
Signal Transduct Target Ther, 9, 2024
8WML
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BU of 8wml by Molmil
Cryo-EM structure of Cas7-11-crRNA bound to N-terminal of TPR-CHAT
分子名称: CHAT domain-containing protein, CRISPR-associated RAMP family protein, ZINC ION, ...
著者Ma, H.Y, Tang, X.D.
登録日2023-10-03
公開日2024-05-29
実験手法ELECTRON MICROSCOPY (2.86 Å)
主引用文献Structural basis of negative regulation of CRISPR-Cas7-11 by TPR-CHAT.
Signal Transduct Target Ther, 9, 2024
7CUV
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BU of 7cuv by Molmil
Crystal structure of a novel alpha/beta hydrolase in apo form
分子名称: alpha/beta hydrolase
著者Gao, J, Han, X, Zheng, Y.Y, Liu, W.D.
登録日2020-08-25
公開日2021-08-25
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Multiple Substrate Binding Mode-Guided Engineering of a Thermophilic PET Hydrolase.
Acs Catalysis, 12, 2022
8WPZ
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BU of 8wpz by Molmil
Cryo-ET structure of RuBisCO at 3.9 angstroms from Synechococcus elongatus PCC 7942
分子名称: Ribulose bisphosphate carboxylase large chain, Ribulose bisphosphate carboxylase small subunit
著者Kong, W.W, Jiang, Y.L, Zhou, C.Z.
登録日2023-10-10
公開日2024-05-15
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Cryo-electron tomography reveals the packaging pattern of RuBisCOs in Synechococcus beta-carboxysome.
Structure, 2024
8WMC
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BU of 8wmc by Molmil
Cryo-EM structure of DiCas7-11-crRNA in complex with regulator
分子名称: CHAT domain-containing protein, CRISPR-associated RAMP family protein, RNA (38-MER), ...
著者Ma, H.Y, Tang, X.D.
登録日2023-10-03
公開日2024-05-29
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Structural basis of negative regulation of CRISPR-Cas7-11 by TPR-CHAT.
Signal Transduct Target Ther, 9, 2024
8X3S
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BU of 8x3s by Molmil
Crystal structure of human WDR5 in complex with PTEN
分子名称: Phosphatidylinositol 3,4,5-trisphosphate 3-phosphatase and dual-specificity protein phosphatase PTEN, WD repeat-containing protein 5
著者Liu, Y, Huang, X, Shang, X.
登録日2023-11-14
公開日2024-05-29
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献The NTE domain of PTEN alpha / beta promotes cancer progression by interacting with WDR5 via its SSSRRSS motif.
Cell Death Dis, 15, 2024
6A3N
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BU of 6a3n by Molmil
Crystal structure of the PDE9 catalytic domain in complex with inhibitor 2
分子名称: 1-cyclopentyl-6-({(2R)-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxopropan-2-yl}amino)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, MAGNESIUM ION, ...
著者Wu, Y.N, Zhou, Q, Chen, Y.P, Luo, H.B.
登録日2018-06-15
公開日2019-04-10
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Discovery of Potent, Selective, and Orally Bioavailable Inhibitors against Phosphodiesterase-9, a Novel Target for the Treatment of Vascular Dementia.
J. Med. Chem., 62, 2019
8XGB
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BU of 8xgb by Molmil
Crystal structure of human secretory glutaminyl cyclase in complex with (S)-1-(1H-benzo[d]imidazol-5-yl)-5-(4-propoxyphenyl)imidazolidin-2-one
分子名称: (5~{S})-1-(3~{H}-benzimidazol-5-yl)-5-(4-propoxyphenyl)imidazolidin-2-one, Glutaminyl-peptide cyclotransferase, ZINC ION
著者Li, G.-B, Wang, X.-Y.
登録日2023-12-15
公開日2024-06-12
最終更新日2024-06-26
実験手法X-RAY DIFFRACTION (3.24 Å)
主引用文献X-ray Structure-Guided Discovery of a Potent Benzimidazole Glutaminyl Cyclase Inhibitor That Shows Activity in a Parkinson's Disease Mouse Model.
J.Med.Chem., 67, 2024
8XGT
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Crystal structure of human secretory glutaminyl cyclase in complex with (Z)-3-((1H-benzo[d]imidazol-5-yl)methylene)-4-hydroxyindolin-2-one
分子名称: (3~{Z})-3-(1~{H}-benzimidazol-5-ylmethylidene)-4-oxidanyl-1~{H}-indol-2-one, Glutaminyl-peptide cyclotransferase, ZINC ION
著者Li, G.-B, Wang, X.-Y.
登録日2023-12-15
公開日2024-06-12
最終更新日2024-06-26
実験手法X-RAY DIFFRACTION (2.813 Å)
主引用文献X-ray Structure-Guided Discovery of a Potent Benzimidazole Glutaminyl Cyclase Inhibitor That Shows Activity in a Parkinson's Disease Mouse Model.
J.Med.Chem., 67, 2024
8XGY
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Crystal structure of human Golgi resident glutaminyl cyclase in complex with (R,Z)-3-((1H-benzo[d]imidazol-5-yl)methylene)-4-((1-acetylpyrrolidin-3-yl)oxy)indolin-2-one
分子名称: (3~{Z})-3-(1~{H}-benzimidazol-5-ylmethylidene)-4-[(3~{R})-1-ethanoylpyrrolidin-3-yl]oxy-1~{H}-indol-2-one, Glutaminyl-peptide cyclotransferase, ZINC ION
著者Li, G.-B, Wang, X.-Y.
登録日2023-12-16
公開日2024-06-12
最終更新日2024-06-26
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献X-ray Structure-Guided Discovery of a Potent Benzimidazole Glutaminyl Cyclase Inhibitor That Shows Activity in a Parkinson's Disease Mouse Model.
J.Med.Chem., 67, 2024

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件を2024-08-07に公開中

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