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4GNG
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Crystal Structure of NSD3 tandem PHD5-C5HCH domains complexed with H3K9me3 peptide
分子名称: GLYCEROL, Histone H3.3, Histone-lysine N-methyltransferase NSD3, ...
著者Li, F, He, C, Wu, J, Shi, Y.
登録日2012-08-17
公開日2013-01-02
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献The methyltransferase NSD3 has chromatin-binding motifs, PHD5-C5HCH, that are distinct from other NSD (nuclear receptor SET domain) family members in their histone H3 recognition.
J.Biol.Chem., 288, 2013
5ZFY
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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
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
5ULG
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Crystal structure of RPE65 in complex with MB-008 and palmitate
分子名称: (3S)-3-({3-[(1R)-3-amino-1-hydroxypropyl]phenoxy}methyl)hexan-1-ol, FE (II) ION, PALMITIC ACID, ...
著者Kiser, P.D, Palczewski, K.
登録日2017-01-24
公開日2017-05-17
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Rational Tuning of Visual Cycle Modulator Pharmacodynamics.
J. Pharmacol. Exp. Ther., 362, 2017
5Z6Z
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Crystal structure of human DUX4 homeodomains bound to DNA
分子名称: DNA (5'-D(*CP*CP*AP*CP*TP*AP*AP*CP*CP*TP*AP*AP*TP*CP*AP*CP*AP*CP*C)-3'), DNA (5'-D(*GP*GP*TP*GP*TP*GP*AP*TP*TP*AP*GP*GP*TP*TP*AP*GP*TP*GP*G)-3'), Double homeobox protein 4
著者Li, Y.Y, Wu, B.X, Gan, J.H.
登録日2018-01-26
公開日2018-10-31
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.301 Å)
主引用文献Structural basis for multiple gene regulation by human DUX4.
Biochem. Biophys. Res. Commun., 505, 2018
4GNE
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BU of 4gne by Molmil
Crystal Structure of NSD3 tandem PHD5-C5HCH domains complexed with H3 peptide 1-7
分子名称: Histone H3.3, Histone-lysine N-methyltransferase NSD3, ZINC ION
著者Li, F, He, C, Wu, J, Shi, Y.
登録日2012-08-17
公開日2013-01-02
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献The methyltransferase NSD3 has chromatin-binding motifs, PHD5-C5HCH, that are distinct from other NSD (nuclear receptor SET domain) family members in their histone H3 recognition.
J.Biol.Chem., 288, 2013
5DD0
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BU of 5dd0 by Molmil
Crystal structures in an anti-HIV antibody lineage from immunization of Rhesus macaques
分子名称: ANTI-HIV ANTIBODY DH570 FAB HEAVY CHAIN, ANTI-HIV ANTIBODY DH570 FAB HEAVY LIGHT, oligo peptide
著者Zhang, R, Verkoczy, L, Wiehe, K, Alam, S.M, Nicely, N.I, Santra, S, Bradley, T, Pemble, C, Gao, F, Montefiori, D.C, Bouton-Verville, H, Kelsoe, G, Parks, R, Foulger, A, Tomaras, G, Keple, T.B, Moody, M.A, Liao, H.-X, Haynes, B.F.
登録日2015-08-24
公開日2016-05-11
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.488 Å)
主引用文献Initiation of immune tolerance-controlled HIV gp41 neutralizing B cell lineages.
Sci Transl Med, 8, 2016
4GND
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BU of 4gnd by Molmil
Crystal Structure of NSD3 tandem PHD5-C5HCH domains
分子名称: Histone-lysine N-methyltransferase NSD3, ZINC ION
著者Li, F, He, C, Wu, J, Shi, Y.
登録日2012-08-17
公開日2013-01-02
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献The methyltransferase NSD3 has chromatin-binding motifs, PHD5-C5HCH, that are distinct from other NSD (nuclear receptor SET domain) family members in their histone H3 recognition.
J.Biol.Chem., 288, 2013
4HYM
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BU of 4hym by Molmil
Pyrrolopyrimidine inhibitors of dna gyrase b and topoisomerase iv, part i: structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity.
分子名称: 7-({4-[(3R)-3-aminopyrrolidin-1-yl]-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl}sulfanyl)pyrido[2,3-b]pyrazin-2(1H)-one, Topoisomerase IV, subunit B
著者Bensen, D.C, Creighton, C.J, Kwan, B, Tari, L.W.
登録日2012-11-13
公開日2013-02-13
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Pyrrolopyrimidine inhibitors of DNA gyrase B (GyrB) and topoisomerase IV (ParE). Part I: Structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity.
Bioorg.Med.Chem.Lett., 23, 2013
4MRO
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BU of 4mro by Molmil
Human GKRP bound to AMG-5980 and S6P
分子名称: 2-(4-{4-[(6-aminopyridin-3-yl)sulfonyl]piperazin-1-yl}phenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol, D-SORBITOL-6-PHOSPHATE, GLYCEROL, ...
著者St Jean, D.J, Ashton, K.S, Bartberger, M.D, Chen, J, Chmait, S, Cupples, R, Galbreath, E, Helmering, J, Jordan, S.R, Liu, L, Kunz, K, Michelsen, K, Nishimura, N, Pennington, L.D, Poon, S.F, Sivits, G, Stec, M.M, Tamayo, N, Van, G, Yang, K, Norman, M.H, Fotsch, C, LLoyd, D.J, Hale, C.
登録日2013-09-17
公開日2014-05-07
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Small molecule disruptors of the glucokinase-glucokinase regulatory protein interaction: 2. Leveraging structure-based drug design to identify analogues with improved pharmacokinetic profiles.
J.Med.Chem., 57, 2014
6A5W
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BU of 6a5w by Molmil
FXR-LBD with HNC143 and SRC1
分子名称: 2-[2-[[3-[2,6-bis(chloranyl)phenyl]-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]-6-azaspiro[3.4]octan-6-yl]-1,3-benzothiazole-6-carboxylic acid, Bile acid receptor, Nuclear receptor coactivator 1
著者Wang, N, Liu, J.
登録日2018-06-25
公開日2018-10-10
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.88 Å)
主引用文献Ligand binding and heterodimerization with retinoid X receptor alpha (RXR alpha ) induce farnesoid X receptor (FXR) conformational changes affecting coactivator binding
J. Biol. Chem., 293, 2018
5X57
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BU of 5x57 by Molmil
Structure of GAR domain of ACF7
分子名称: Microtubule-actin cross-linking factor 1, isoforms 1/2/3/5, NICKEL (II) ION
著者Yang, F, Wang, T, Zhang, Y, Wu, X.Y.
登録日2017-02-15
公開日2017-07-05
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献ACF7 regulates inflammatory colitis and intestinal wound response by orchestrating tight junction dynamics.
Nat Commun, 8, 2017
6INF
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BU of 6inf by Molmil
a glycosyltransferase complex with UDP
分子名称: UDP-glycosyltransferase 76G1, URIDINE-5'-DIPHOSPHATE
著者Zhu, X, Yang, T, Naismith, J.H.
登録日2018-10-25
公開日2019-07-31
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Hydrophobic recognition allows the glycosyltransferase UGT76G1 to catalyze its substrate in two orientations.
Nat Commun, 10, 2019
7C2L
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BU of 7c2l by Molmil
S protein of SARS-CoV-2 in complex bound with 4A8
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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Yan, R.H, Zhang, Y.Y, Guo, Y.Y, Li, Y.N, Xia, L, Zhou, Q.
登録日2020-05-08
公開日2020-07-01
最終更新日2021-02-17
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献A neutralizing human antibody binds to the N-terminal domain of the Spike protein of SARS-CoV-2.
Science, 369, 2020
6A5Y
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BU of 6a5y by Molmil
Crystal structure of human FXR/RXR-LBD heterodimer bound to HNC143 and 9cRA and SRC1
分子名称: (9cis)-retinoic acid, 2-[2-[[3-[2,6-bis(chloranyl)phenyl]-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]-6-azaspiro[3.4]octan-6-yl]-1,3-benzothiazole-6-carboxylic acid, Bile acid receptor, ...
著者Wang, N, Liu, J.
登録日2018-06-25
公開日2018-10-10
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Ligand binding and heterodimerization with retinoid X receptor alpha (RXR alpha ) induce farnesoid X receptor (FXR) conformational changes affecting coactivator binding
J. Biol. Chem., 293, 2018
6A5X
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BU of 6a5x by Molmil
FXR-LBD with HNC180 and SRC1
分子名称: 2-[(1R,5S)-9-[[3-[2,6-bis(chloranyl)phenyl]-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]-3-azabicyclo[3.3.1]nonan-3-yl]-1,3-benzothiazole-6-carboxylic acid, Bile acid receptor, Nuclear receptor coactivator 1, ...
著者Wang, N, Liu, J.
登録日2018-06-25
公開日2018-10-10
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Ligand binding and heterodimerization with retinoid X receptor alpha (RXR alpha ) induce farnesoid X receptor (FXR) conformational changes affecting coactivator binding
J. Biol. Chem., 293, 2018
5ZUH
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BU of 5zuh by Molmil
Solution structure of RRM domain of La protein from Trypanosoma brucei
分子名称: RNA binding protein La-like protein
著者Shan, F.Z.
登録日2018-05-07
公開日2019-05-15
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献A telomerase subunit homolog La protein from Trypanosoma brucei plays an essential role in ribosomal biogenesis.
Febs J., 286, 2019
6A5Z
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BU of 6a5z by Molmil
Crystal structure of human FXR/RXR-LBD heterodimer bound to HNC180 and 9cRA and SRC1
分子名称: (9cis)-retinoic acid, 2-[(1R,5S)-9-[[3-[2,6-bis(chloranyl)phenyl]-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]-3-azabicyclo[3.3.1]nonan-3-yl]-1,3-benzothiazole-6-carboxylic acid, Bile acid receptor, ...
著者Wang, N, Liu, J.
登録日2018-06-25
公開日2018-10-10
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Ligand binding and heterodimerization with retinoid X receptor alpha (RXR alpha ) induce farnesoid X receptor (FXR) conformational changes affecting coactivator binding
J. Biol. Chem., 293, 2018
7FAH
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BU of 7fah by Molmil
Immune complex of head region of CA09 HA and neutralizing antibody 12H5
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, ...
著者Li, T.T, Xue, W.H, Gu, Y, Li, S.W.
登録日2021-07-06
公開日2022-07-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.151 Å)
主引用文献Identification of a cross-neutralizing antibody that targets the receptor binding site of H1N1 and H5N1 influenza viruses.
Nat Commun, 13, 2022
4MQU
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Human GKRP complexed to AMG-3969 and S6P
分子名称: 2-{4-[(2S)-4-[(6-aminopyridin-3-yl)sulfonyl]-2-(prop-1-yn-1-yl)piperazin-1-yl]phenyl}-1,1,1,3,3,3-hexafluoropropan-2-ol, D-SORBITOL-6-PHOSPHATE, GLYCEROL, ...
著者St Jean, D.J, Ashton, K.S, Bartberger, M.D, Chen, J, Chmait, S, Cupples, R, Galbreath, E, Helmering, J, Jordan, S.R, Liu, L.
登録日2013-09-16
公開日2014-05-07
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Small molecule disruptors of the glucokinase-glucokinase regulatory protein interaction: 2. Leveraging structure-based drug design to identify analogues with improved pharmacokinetic profiles.
J.Med.Chem., 57, 2014
7FBJ
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BU of 7fbj by Molmil
Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing nanobody 17F6
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, New antigen receptor variable domain, ...
著者Zhu, J, Xu, T, Feng, B, Liu, J.
登録日2021-07-11
公開日2022-07-13
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献A Class of Shark-Derived Single-Domain Antibodies can Broadly Neutralize SARS-Related Coronaviruses and the Structural Basis of Neutralization and Omicron Escape.
Small Methods, 6, 2022
7FBK
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BU of 7fbk by Molmil
Crystal structure of SARS-CoV-2 receptor binding domain N501Y mutant in complex with neutralizing nanobody 20G6
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, New antigen receptor variable domain, Spike protein S1
著者Zhu, J, Xu, T, Feng, B, Liu, J.
登録日2021-07-11
公開日2022-07-13
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A Class of Shark-Derived Single-Domain Antibodies can Broadly Neutralize SARS-Related Coronaviruses and the Structural Basis of Neutralization and Omicron Escape.
Small Methods, 6, 2022
2H6M
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BU of 2h6m by Molmil
An episulfide cation (thiiranium ring) trapped in the active site of HAV 3C proteinase inactivated by peptide-based ketone inhibitors
分子名称: N-ACETYL-LEUCYL-ALANYL-ALANYL-(N,N-DIMETHYL)-GLUTAMINE-(1,4-DIOXO-3,4-DIHYDRO-1H-PHTHALAZIN-2-YL)METHYLKETONE INHIBITOR, N-[(BENZYLOXY)CARBONYL]-L-ALANINE, Picornain 3C
著者Yin, J, Cherney, M.M, Bergmann, E.M, James, M.N.
登録日2006-05-31
公開日2006-08-08
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献An episulfide cation (thiiranium ring) trapped in the active site of HAV 3C proteinase inactivated by peptide-based ketone inhibitors.
J.Mol.Biol., 361, 2006
2PWX
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BU of 2pwx by Molmil
Crystal structure of G11A mutant of SARS-CoV 3C-like protease
分子名称: 3C-like proteinase
著者Chen, S, Hu, T, Jiang, H, Shen, X.
登録日2007-05-14
公開日2007-10-30
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Mutation of Gly-11 on the dimer interface results in the complete crystallographic dimer dissociation of severe acute respiratory syndrome coronavirus 3C-like protease: crystal structure with molecular dynamics simulations.
J.Biol.Chem., 283, 2008
3ENS
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BU of 3ens by Molmil
Crystal structure of human FXA in complex with methyl (2Z)-3-[(3-chloro-1H-indol-7-yl)amino]-2-cyano-3-{[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]amino}acrylate
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ACETATE ION, Activated factor Xa heavy chain, ...
著者Klei, H.E.
登録日2008-09-25
公開日2008-12-30
最終更新日2017-10-25
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Design, Structure-Activity Relationships, X-ray Crystal Structure, and Energetic Contributions of a Critical P1 Pharmacophore: 3-Chloroindole-7-yl-Based Factor Xa Inhibitors.
J.Med.Chem., 51, 2008

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