4GNG
 
 | | Crystal Structure of NSD3 tandem PHD5-C5HCH domains complexed with H3K9me3 peptide | | Descriptor: | GLYCEROL, Histone H3.3, Histone-lysine N-methyltransferase NSD3, ... | | Authors: | Li, F, He, C, Wu, J, Shi, Y. | | Deposit date: | 2012-08-17 | | Release date: | 2013-01-02 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | 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
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5ZFY
 | | Crystal structure of human DUX4 homeodomains bound to A12C DNA mutant | | Descriptor: | 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 | | Authors: | Li, Y.Y, Wu, B.X, Gan, J.H. | | Deposit date: | 2018-03-07 | | Release date: | 2018-10-31 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural basis for multiple gene regulation by human DUX4.
Biochem. Biophys. Res. Commun., 505, 2018
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5ZFW
 | | Crystal structure of human DUX4 homeodomains bound to A11G DNA mutant | | Descriptor: | 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 | | Authors: | Li, Y.Y, Wu, B.X, Gan, J.H. | | Deposit date: | 2018-03-07 | | Release date: | 2018-10-31 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.103 Å) | | Cite: | Structural basis for multiple gene regulation by human DUX4.
Biochem. Biophys. Res. Commun., 505, 2018
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5ULG
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5Z6Z
 | | Crystal structure of human DUX4 homeodomains bound to DNA | | Descriptor: | 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 | | Authors: | Li, Y.Y, Wu, B.X, Gan, J.H. | | Deposit date: | 2018-01-26 | | Release date: | 2018-10-31 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.301 Å) | | Cite: | Structural basis for multiple gene regulation by human DUX4.
Biochem. Biophys. Res. Commun., 505, 2018
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4GNE
 | | Crystal Structure of NSD3 tandem PHD5-C5HCH domains complexed with H3 peptide 1-7 | | Descriptor: | Histone H3.3, Histone-lysine N-methyltransferase NSD3, ZINC ION | | Authors: | Li, F, He, C, Wu, J, Shi, Y. | | Deposit date: | 2012-08-17 | | Release date: | 2013-01-02 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | 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
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5DD0
 | | Crystal structures in an anti-HIV antibody lineage from immunization of Rhesus macaques | | Descriptor: | ANTI-HIV ANTIBODY DH570 FAB HEAVY CHAIN, ANTI-HIV ANTIBODY DH570 FAB HEAVY LIGHT, oligo peptide | | Authors: | 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. | | Deposit date: | 2015-08-24 | | Release date: | 2016-05-11 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.488 Å) | | Cite: | Initiation of immune tolerance-controlled HIV gp41 neutralizing B cell lineages.
Sci Transl Med, 8, 2016
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4GND
 | | Crystal Structure of NSD3 tandem PHD5-C5HCH domains | | Descriptor: | Histone-lysine N-methyltransferase NSD3, ZINC ION | | Authors: | Li, F, He, C, Wu, J, Shi, Y. | | Deposit date: | 2012-08-17 | | Release date: | 2013-01-02 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | 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
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4HYM
 | | 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. | | Descriptor: | 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 | | Authors: | Bensen, D.C, Creighton, C.J, Kwan, B, Tari, L.W. | | Deposit date: | 2012-11-13 | | Release date: | 2013-02-13 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | 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
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4MRO
 | | Human GKRP bound to AMG-5980 and S6P | | Descriptor: | 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, ... | | Authors: | 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. | | Deposit date: | 2013-09-17 | | Release date: | 2014-05-07 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | 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
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6A5W
 | | FXR-LBD with HNC143 and SRC1 | | Descriptor: | 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 | | Authors: | Wang, N, Liu, J. | | Deposit date: | 2018-06-25 | | Release date: | 2018-10-10 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.88 Å) | | Cite: | 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
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5X57
 | | Structure of GAR domain of ACF7 | | Descriptor: | Microtubule-actin cross-linking factor 1, isoforms 1/2/3/5, NICKEL (II) ION | | Authors: | Yang, F, Wang, T, Zhang, Y, Wu, X.Y. | | Deposit date: | 2017-02-15 | | Release date: | 2017-07-05 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | ACF7 regulates inflammatory colitis and intestinal wound response by orchestrating tight junction dynamics.
Nat Commun, 8, 2017
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6INF
 | | a glycosyltransferase complex with UDP | | Descriptor: | UDP-glycosyltransferase 76G1, URIDINE-5'-DIPHOSPHATE | | Authors: | Zhu, X, Yang, T, Naismith, J.H. | | Deposit date: | 2018-10-25 | | Release date: | 2019-07-31 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Hydrophobic recognition allows the glycosyltransferase UGT76G1 to catalyze its substrate in two orientations.
Nat Commun, 10, 2019
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7C2L
 | | S protein of SARS-CoV-2 in complex bound with 4A8 | | Descriptor: | 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, ... | | Authors: | Yan, R.H, Zhang, Y.Y, Guo, Y.Y, Li, Y.N, Xia, L, Zhou, Q. | | Deposit date: | 2020-05-08 | | Release date: | 2020-07-01 | | Last modified: | 2021-02-17 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | A neutralizing human antibody binds to the N-terminal domain of the Spike protein of SARS-CoV-2.
Science, 369, 2020
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6A5Y
 | | Crystal structure of human FXR/RXR-LBD heterodimer bound to HNC143 and 9cRA and SRC1 | | Descriptor: | (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, ... | | Authors: | Wang, N, Liu, J. | | Deposit date: | 2018-06-25 | | Release date: | 2018-10-10 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | 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
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6A5X
 | | FXR-LBD with HNC180 and SRC1 | | Descriptor: | 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, ... | | Authors: | Wang, N, Liu, J. | | Deposit date: | 2018-06-25 | | Release date: | 2018-10-10 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | 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
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5ZUH
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6A5Z
 | | Crystal structure of human FXR/RXR-LBD heterodimer bound to HNC180 and 9cRA and SRC1 | | Descriptor: | (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, ... | | Authors: | Wang, N, Liu, J. | | Deposit date: | 2018-06-25 | | Release date: | 2018-10-10 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | 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
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7FAH
 | | Immune complex of head region of CA09 HA and neutralizing antibody 12H5 | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, ... | | Authors: | Li, T.T, Xue, W.H, Gu, Y, Li, S.W. | | Deposit date: | 2021-07-06 | | Release date: | 2022-07-06 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.151 Å) | | Cite: | Identification of a cross-neutralizing antibody that targets the receptor binding site of H1N1 and H5N1 influenza viruses.
Nat Commun, 13, 2022
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4MQU
 | | Human GKRP complexed to AMG-3969 and S6P | | Descriptor: | 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, ... | | Authors: | 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. | | Deposit date: | 2013-09-16 | | Release date: | 2014-05-07 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | 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
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7FBJ
 | | Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing nanobody 17F6 | | Descriptor: | 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, ... | | Authors: | Zhu, J, Xu, T, Feng, B, Liu, J. | | Deposit date: | 2021-07-11 | | Release date: | 2022-07-13 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | 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
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7FBK
 | | Crystal structure of SARS-CoV-2 receptor binding domain N501Y mutant in complex with neutralizing nanobody 20G6 | | Descriptor: | 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 | | Authors: | Zhu, J, Xu, T, Feng, B, Liu, J. | | Deposit date: | 2021-07-11 | | Release date: | 2022-07-13 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | 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
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2H6M
 | | An episulfide cation (thiiranium ring) trapped in the active site of HAV 3C proteinase inactivated by peptide-based ketone inhibitors | | Descriptor: | 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 | | Authors: | Yin, J, Cherney, M.M, Bergmann, E.M, James, M.N. | | Deposit date: | 2006-05-31 | | Release date: | 2006-08-08 | | Last modified: | 2021-10-20 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | 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
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2PWX
 | | Crystal structure of G11A mutant of SARS-CoV 3C-like protease | | Descriptor: | 3C-like proteinase | | Authors: | Chen, S, Hu, T, Jiang, H, Shen, X. | | Deposit date: | 2007-05-14 | | Release date: | 2007-10-30 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | 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
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3ENS
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