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7DF3
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BU of 7df3 by Molmil
SARS-CoV-2 S trimer, S-closed
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
著者Cong, X, Yao, C.
登録日2020-11-06
公開日2020-12-16
最終更新日2021-02-17
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Conformational dynamics of SARS-CoV-2 trimeric spike glycoprotein in complex with receptor ACE2 revealed by cryo-EM.
Sci Adv, 7, 2021
7FJI
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BU of 7fji by Molmil
human Pol III elongation complex
分子名称: DNA-directed RNA polymerase III subunit RPC1, DNA-directed RNA polymerase III subunit RPC10, DNA-directed RNA polymerase III subunit RPC2, ...
著者Hou, H, Xu, Y.
登録日2021-08-04
公開日2021-10-27
最終更新日2021-11-10
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Structural insights into RNA polymerase III-mediated transcription termination through trapping poly-deoxythymidine.
Nat Commun, 12, 2021
7FJJ
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human Pol III pre-termination complex
分子名称: DNA-directed RNA polymerase III subunit RPC1, DNA-directed RNA polymerase III subunit RPC10, DNA-directed RNA polymerase III subunit RPC2, ...
著者Hou, H, Xu, Y.
登録日2021-08-04
公開日2021-10-27
最終更新日2021-11-10
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Structural insights into RNA polymerase III-mediated transcription termination through trapping poly-deoxythymidine.
Nat Commun, 12, 2021
7F0M
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BU of 7f0m by Molmil
Crystal Structure of human Pin1 complexed with a potent covalent inhibitor
分子名称: 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, 8-(2-chloranylethanoyl)-4-[(5-naphthalen-1-ylfuran-2-yl)methyl]-1-thia-4,8-diazaspiro[4.5]decan-3-one, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
著者Liu, L, Li, J.
登録日2021-06-05
公開日2022-02-16
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Computational and Structure-Based Development of High Potent Cell-Active Covalent Inhibitor Targeting the Peptidyl-Prolyl Isomerase NIMA-Interacting-1 (Pin1).
J.Med.Chem., 65, 2022
5ZOF
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BU of 5zof by Molmil
Crystal Structure of D181A/R192F hFen1 in complex with DNA
分子名称: DNA (5'-D(*AP*CP*TP*TP*TP*GP*AP*GP*GP*CP*AP*GP*AP*G)-3'), DNA (5'-D(*CP*CP*TP*CP*TP*GP*CP*CP*TP*CP*AP*AP*GP*AP*CP*GP*GP*G)-3'), DNA (5'-D(*GP*CP*CP*CP*GP*TP*CP*C)-3'), ...
著者Han, W, Hua, Y, Zhao, Y.
登録日2018-04-13
公開日2019-01-30
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.249 Å)
主引用文献Structural basis of 5' flap recognition and protein-protein interactions of human flap endonuclease 1.
Nucleic Acids Res., 46, 2018
5ZOE
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BU of 5zoe by Molmil
Crystal Structure of D181A hFen1 in complex with DNA
分子名称: DNA (5'-D(*AP*CP*TP*TP*TP*GP*AP*GP*GP*CP*AP*GP*AP*G)-3'), DNA (5'-D(*CP*CP*TP*CP*TP*GP*CP*CP*TP*CP*AP*AP*GP*AP*CP*GP*GP*G)-3'), DNA (5'-D(*GP*CP*CP*CP*GP*TP*CP*C)-3'), ...
著者Han, W, Hua, Y, Zhao, Y.
登録日2018-04-13
公開日2019-01-30
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural basis of 5' flap recognition and protein-protein interactions of human flap endonuclease 1.
Nucleic Acids Res., 46, 2018
5ZOD
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Crystal Structure of hFen1 in apo form
分子名称: Flap endonuclease 1, MAGNESIUM ION, POTASSIUM ION
著者Han, W, Hua, Y, Zhao, Y.
登録日2018-04-13
公開日2019-01-30
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 of 5' flap recognition and protein-protein interactions of human flap endonuclease 1.
Nucleic Acids Res., 46, 2018
5ZOG
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BU of 5zog by Molmil
Crystal Structure of R192F hFen1 in complex with DNA
分子名称: DNA (5'-D(*CP*CP*CP*GP*TP*CP*C)-3'), DNA (5'-D(*TP*GP*AP*GP*GP*CP*AP*GP*AP*GP*GP*AP*T)-3'), DNA (5'-D(P*TP*CP*CP*TP*CP*TP*GP*CP*CP*TP*CP*AP*AP*GP*AP*CP*GP*GP*G)-3'), ...
著者Han, W, Hua, Y, Zhao, Y.
登録日2018-04-13
公開日2019-01-30
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.299 Å)
主引用文献Structural basis of 5' flap recognition and protein-protein interactions of human flap endonuclease 1.
Nucleic Acids Res., 46, 2018
7L6V
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BU of 7l6v by Molmil
Crystal structure of BoNT/A-LC-JPU-A5-JPU-C1-JPU-H7-JPU-D12-ciA-F12
分子名称: 1,2-ETHANEDIOL, BoNT/A, JPU-A5, ...
著者Lam, K, Jin, R.
登録日2020-12-24
公開日2021-12-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Probing the structure and function of the protease domain of botulinum neurotoxins using single-domain antibodies.
Plos Pathog., 18, 2022
7M1H
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BU of 7m1h by Molmil
Crystal structure of LC/A-JPU-C10-JPU-D12-JPU-B8-JPU-G3-ciA-F12-ciA-D12
分子名称: Botulinum neurotoxin A light chain, JPU-B8, JPU-C10, ...
著者Lam, K, Jin, R.
登録日2021-03-13
公開日2021-12-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.78 Å)
主引用文献Probing the structure and function of the protease domain of botulinum neurotoxins using single-domain antibodies.
Plos Pathog., 18, 2022
7LZP
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BU of 7lzp by Molmil
LC/A-JPU-B9-JPU-A11-JPU-G11
分子名称: Botulinum neurotoxin A light chain, JPU-A11, JPU-B9, ...
著者Lam, K, Jin, R.
登録日2021-03-10
公開日2021-12-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.86 Å)
主引用文献Probing the structure and function of the protease domain of botulinum neurotoxins using single-domain antibodies.
Plos Pathog., 18, 2022
7NA9
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BU of 7na9 by Molmil
Crystal structure of BoNT/B-LC-JSG-C1
分子名称: 1,2-ETHANEDIOL, Botulinum neurotoxin type B, JSG-C1, ...
著者Lam, K, Jin, R.
登録日2021-06-20
公開日2021-12-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Probing the structure and function of the protease domain of botulinum neurotoxins using single-domain antibodies.
Plos Pathog., 18, 2022
8HLY
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BU of 8hly by Molmil
Crystal structure of SIRT3 in complex with H3K23la peptide
分子名称: (2S)-2-HYDROXYPROPANOIC ACID, 1,2-ETHANEDIOL, GLYCEROL, ...
著者Zhuming, F, Hao, Q.
登録日2022-12-01
公開日2023-09-27
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Identification of SIRT3 as an eraser of H4K16la.
Iscience, 26, 2023
8HLW
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BU of 8hlw by Molmil
Crystal structure of SIRT3 in complex with H4K16la peptide
分子名称: (2S)-2-HYDROXYPROPANOIC ACID, Histone H4 residues 20-27, NAD-dependent protein deacetylase sirtuin-3, ...
著者Zhuming, F, Hao, Q.
登録日2022-12-01
公開日2023-09-27
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Identification of SIRT3 as an eraser of H4K16la.
Iscience, 26, 2023
6DY7
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BU of 6dy7 by Molmil
WDR5 in complex with a WIN site inhibitor
分子名称: DIMETHYL SULFOXIDE, N-[3-(2,4-dichlorophenoxy)propyl]-1H-imidazol-2-amine, SULFATE ION, ...
著者Phan, J, Wang, F, Fesik, S.W.
登録日2018-07-01
公開日2019-03-13
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Displacement of WDR5 from Chromatin by a WIN Site Inhibitor with Picomolar Affinity.
Cell Rep, 26, 2019
6E1Y
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BU of 6e1y by Molmil
Discovery of Potent 2-Aryl-6,7-Dihydro-5HPyrrolo[ 1,2-a]imidazoles as WDR5 WIN-site Inhibitors Using Fragment-Based Methods and Structure-Based Design
分子名称: N-[(1S)-1-(3-chlorophenyl)ethyl]-3-{[(4,5-dihydro-1H-imidazol-2-yl)amino]methyl}benzamide, WD repeat-containing protein 5
著者Phan, J, Fesik, S.W.
登録日2018-07-10
公開日2019-03-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.219 Å)
主引用文献Displacement of WDR5 from Chromatin by a WIN Site Inhibitor with Picomolar Affinity.
Cell Rep, 26, 2019
6DYA
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BU of 6dya by Molmil
WDR5 in complex with a WIN site inhibitor
分子名称: DIMETHYL SULFOXIDE, N-[(3,5-dichlorophenyl)methyl]-3-[(1H-imidazol-1-yl)methyl]benzamide, SULFATE ION, ...
著者Phan, J, Wang, F, Fesik, S.W.
登録日2018-07-01
公開日2019-03-13
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.56 Å)
主引用文献Displacement of WDR5 from Chromatin by a WIN Site Inhibitor with Picomolar Affinity.
Cell Rep, 26, 2019
6E23
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BU of 6e23 by Molmil
Displacement of WDR5 from chromatin by a pharmacological WIN site inhibitor with picomolar affinity
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, N-[(3,4-dichlorophenyl)methyl]-3-(6-fluoro-2-methylpyridin-3-yl)-5-{[(2E)-2-imino-3-methyl-2,3-dihydro-1H-imidazol-1-yl]methyl}benzamide, WD repeat-containing protein 5
著者Phan, J, Fesik, S.W.
登録日2018-07-10
公開日2019-03-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Displacement of WDR5 from Chromatin by a WIN Site Inhibitor with Picomolar Affinity.
Cell Rep, 26, 2019
6E22
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BU of 6e22 by Molmil
Displacement of WDR5 from chromatin by a pharmacological WIN site inhibitor with picomolar affinity
分子名称: 3-{[(4,5-dihydro-1H-imidazol-2-yl)amino]methyl}-N-[(3,5-dimethoxyphenyl)methyl]-4-fluorobenzamide, SULFATE ION, WD repeat-containing protein 5
著者Phan, J, Fesik, S.W.
登録日2018-07-10
公開日2019-03-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Displacement of WDR5 from Chromatin by a WIN Site Inhibitor with Picomolar Affinity.
Cell Rep, 26, 2019
6E1Z
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BU of 6e1z by Molmil
Displacement of WDR5 from chromatin by a pharmacological WIN site inhibitor with picomolar affinity
分子名称: 5-[(1H-imidazol-1-yl)methyl]furan-2-carboxylic acid, WD repeat-containing protein 5
著者Phan, J, Fesik, S.W.
登録日2018-07-10
公開日2019-03-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Displacement of WDR5 from Chromatin by a WIN Site Inhibitor with Picomolar Affinity.
Cell Rep, 26, 2019
7SH0
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BU of 7sh0 by Molmil
CRYSTAL STRUCTURE OF ENDOPLASMIC RETICULUM AMINOPEPTIDASE 2 (ERAP2) COMPLEX WITH A HIGHLY SELECTIVE AND POTENT SMALL MOLECULE
分子名称: (2S)-N-hydroxy-3-(4-methoxyphenyl)-2-[4-({[5-(pyridin-2-yl)thiophene-2-sulfonyl]amino}methyl)-1H-1,2,3-triazol-1-yl]propanamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Li, L, Bouvier, M.
登録日2021-10-07
公開日2022-07-20
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Discovery of the First Selective Nanomolar Inhibitors of ERAP2 by Kinetic Target-Guided Synthesis.
Angew.Chem.Int.Ed.Engl., 61, 2022
6JQ1
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BU of 6jq1 by Molmil
Crystal Structure of DdrO from Deinococcus geothermalis
分子名称: LITHIUM ION, Transcriptional regulator, XRE family
著者Lu, H, Hua, Y, Zhao, Y.
登録日2019-03-28
公開日2019-08-28
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure and DNA damage-dependent derepression mechanism for the XRE family member DG-DdrO.
Nucleic Acids Res., 47, 2019
2QN1
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BU of 2qn1 by Molmil
Glycogen Phosphorylase b in complex with asiatic acid
分子名称: Glycogen phosphorylase, muscle form, asiatic acid
著者Zographos, S.E, Leonidas, D.D, Alexacou, K.-M, Hayes, J, Oikonomakos, N.G.
登録日2007-07-17
公開日2008-06-03
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.401 Å)
主引用文献Naturally occurring pentacyclic triterpenes as inhibitors of glycogen phosphorylase: synthesis, structure-activity relationships, and X-ray crystallographic studies
J.Med.Chem., 51, 2008
2QN2
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BU of 2qn2 by Molmil
Glycogen Phosphorylase b in complex with Maslinic Acid
分子名称: Glycogen phosphorylase, muscle form, maslinic acid
著者Zographos, S.E, Leonidas, D.D, Alexacou, K.-M, Hayes, J, Oikonomakos, N.G.
登録日2007-07-17
公開日2008-06-03
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.698 Å)
主引用文献Naturally occurring pentacyclic triterpenes as inhibitors of glycogen phosphorylase: synthesis, structure-activity relationships, and X-ray crystallographic studies
J.Med.Chem., 51, 2008
6LPM
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BU of 6lpm by Molmil
Crystal structure of AP endonuclease from Deinococcus radioduran
分子名称: Exodeoxyribonuclease III
著者Zhao, Y, He, Y.
登録日2020-01-11
公開日2020-05-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural and Functional Characterization of a Unique AP Endonuclease From Deinococcus radiodurans .
Front Microbiol, 11, 2020

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