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6B3W
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BU of 6b3w by Molmil
Structure of Hs/AcPRC2 in complex with 5,8-dichloro-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-3,4-dihydroisoquinolin-1(2H)-one
Descriptor: 5,8-dichloro-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-3,4-dihydroisoquinolin-1(2H)-one, Enhancer of zeste 2 polycomb repressive complex 2 subunit,Enhancer of zeste 2 polycomb repressive complex 2 subunit, Polycomb protein EED, ...
Authors:Gajiwala, K.S, Brooun, A, Liu, W, Deng, Y, Stewart, A.E.
Deposit date:2017-09-25
Release date:2017-12-27
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:Optimization of Orally Bioavailable Enhancer of Zeste Homolog 2 (EZH2) Inhibitors Using Ligand and Property-Based Design Strategies: Identification of Development Candidate (R)-5,8-Dichloro-7-(methoxy(oxetan-3-yl)methyl)-2-((4-methoxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-3,4-dihydroisoquinolin-1(2H)-one (PF-06821497).
J. Med. Chem., 61, 2018
3QA9
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BU of 3qa9 by Molmil
Crystal Structure of Prb (PH1109 protein redesigned for binding)
Descriptor: CoA binding domain protein
Authors:Spiegel, P.C.
Deposit date:2011-01-10
Release date:2011-04-20
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A de novo protein binding pair by computational design and directed evolution.
Mol.Cell, 42, 2011
7DO1
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BU of 7do1 by Molmil
Solution structure of a heteromolecular telomeric (3+1) G-quadruplex containing right loop progression
Descriptor: DNA (5'-D(*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*G)-3'), DNA (5'-D(*TP*TP*AP*GP*GP*G)-3')
Authors:Fu, W.Q, Jing, H.T, Zhang, N.
Deposit date:2020-12-11
Release date:2021-09-29
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Two coexisting pseudo-mirror heteromolecular telomeric G-quadruplexes in opposite loop progressions differentially recognized by a low equivalent of Thioflavin T.
Nucleic Acids Res., 49, 2021
4PBP
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BU of 4pbp by Molmil
crystal structure of zebrafish short-chain pentraxin protein
Descriptor: C-reactive protein, CALCIUM ION, GLYCEROL
Authors:Chen, R, Qi, J.X, George, F.G, Xia, C.
Deposit date:2014-04-13
Release date:2015-03-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.648 Å)
Cite:Crystal structures for short-chain pentraxin from zebrafish demonstrate a cyclic trimer with new recognition and effector faces.
J.Struct.Biol., 189, 2015
4PBO
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BU of 4pbo by Molmil
Crystal structure of zebrafish short-chain pentraxin protein without calcium ions
Descriptor: C-reactive protein
Authors:Chen, R, Qi, J.X, George, F.G, Xia, C.
Deposit date:2014-04-13
Release date:2015-03-25
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.701 Å)
Cite:Crystal structures for short-chain pentraxin from zebrafish demonstrate a cyclic trimer with new recognition and effector faces.
J.Struct.Biol., 189, 2015
8HBD
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BU of 8hbd by Molmil
Cryo-EM structure of IRL1620-bound ETBR-Gi complex
Descriptor: Endothelin receptor type B,Endothelin receptor type B,Oplophorus-luciferin 2-monooxygenase catalytic subunit chimera, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Yuan, Q, Ji, Y, Jiang, Y, Duan, J, Xu, H.E.
Deposit date:2022-10-28
Release date:2023-03-22
Last modified:2023-10-04
Method:ELECTRON MICROSCOPY (2.99 Å)
Cite:Structural basis of peptide recognition and activation of endothelin receptors.
Nat Commun, 14, 2023
8HCQ
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BU of 8hcq by Molmil
Cryo-EM structure of endothelin1-bound ETAR-Gq complex
Descriptor: Endothelin-1, Endothelin-1 receptor,Oplophorus-luciferin 2-monooxygenase catalytic subunit chimera, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Yuan, Q, Jiang, Y, Xu, H.E, Ji, Y, Duan, J.
Deposit date:2022-11-02
Release date:2023-03-22
Last modified:2023-10-04
Method:ELECTRON MICROSCOPY (3.01 Å)
Cite:Structural basis of peptide recognition and activation of endothelin receptors.
Nat Commun, 14, 2023
8HCX
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BU of 8hcx by Molmil
Cryo-EM structure of Endothelin1-bound ETBR-Gq complex
Descriptor: Endothelin receptor type B,Oplophorus-luciferin 2-monooxygenase catalytic subunit chimera, Endothelin-1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Yuan, Q, Jiang, Y, Xu, H.E, Ji, Y, Duan, J.
Deposit date:2022-11-03
Release date:2023-03-22
Last modified:2023-10-04
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structural basis of peptide recognition and activation of endothelin receptors.
Nat Commun, 14, 2023
6JUE
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BU of 6jue by Molmil
The complex of PDZ and PBM
Descriptor: Partitioning defective 3 homolog, SULFATE ION, THR-ILE-ILE-THR-LEU
Authors:Liu, Z.
Deposit date:2019-04-13
Release date:2020-04-22
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.549 Å)
Cite:Par complex cluster formation mediated by phase separation.
Nat Commun, 11, 2020
6LPW
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BU of 6lpw by Molmil
Structure of Spermidine disinapoyl transferases(SDT) from Arabidopsis thaliana
Descriptor: SPERMIDINE, Spermidine sinapoyl-CoA acyltransferase
Authors:Wang, C.Y, Zhang, P.
Deposit date:2020-01-12
Release date:2021-01-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.401 Å)
Cite:Structural and Biochemical Insights Into Two BAHD Acyltransferases ( At SHT and At SDT) Involved in Phenolamide Biosynthesis.
Front Plant Sci, 11, 2020
6LPV
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BU of 6lpv by Molmil
structure of Spermidine hydroxycinnamoyl transferases from Arabidopsis thaliana
Descriptor: COENZYME A, SPERMIDINE, Spermidine hydroxycinnamoyl transferase
Authors:Wang, C.Y, Zhang, P.
Deposit date:2020-01-12
Release date:2021-01-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.297 Å)
Cite:Structural and Biochemical Insights Into Two BAHD Acyltransferases ( At SHT and At SDT) Involved in Phenolamide Biosynthesis.
Front Plant Sci, 11, 2020
6M05
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BU of 6m05 by Molmil
Trimolecular G-quadruplex
Descriptor: DNA (5'-D(*GP*TP*TP*AP*GP*G)-3')
Authors:Jing, H.T, Fu, W.Q, Zhang, N.
Deposit date:2020-02-20
Release date:2021-01-20
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:NMR structural study on the self-trimerization of d(GTTAGG) into a dynamic trimolecular G-quadruplex assembly preferentially in Na+ solution with a moderate K+ tolerance.
Nucleic Acids Res., 49, 2021
5VSB
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BU of 5vsb by Molmil
Structure of DUB complex
Descriptor: 7-chloro-3-{[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl}quinazolin-4(3H)-one, Ubiquitin carboxyl-terminal hydrolase 7
Authors:Seo, H.-S, Dhe-Paganon, S.
Deposit date:2017-05-11
Release date:2017-12-20
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure-Guided Development of a Potent and Selective Non-covalent Active-Site Inhibitor of USP7.
Cell Chem Biol, 24, 2017
5VS6
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BU of 5vs6 by Molmil
Structure of DUB complex
Descriptor: ACETATE ION, GLYCEROL, N-[3-({4-hydroxy-1-[(3R)-3-phenylbutanoyl]piperidin-4-yl}methyl)-4-oxo-3,4-dihydroquinazolin-7-yl]-3-(4-methylpiperazin-1-yl)propanamide, ...
Authors:Seo, H.-S, Dhe-Paganon, S.
Deposit date:2017-05-11
Release date:2017-12-20
Last modified:2018-01-03
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Structure-Guided Development of a Potent and Selective Non-covalent Active-Site Inhibitor of USP7.
Cell Chem Biol, 24, 2017
5VSK
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BU of 5vsk by Molmil
Structure of DUB complex
Descriptor: 7-chloro-3-({4-hydroxy-1-[(3S)-3-phenylbutanoyl]piperidin-4-yl}methyl)quinazolin-4(3H)-one, Ubiquitin carboxyl-terminal hydrolase 7, ZINC ION
Authors:Seo, H.-Y, Dhe-Paganon, S.
Deposit date:2017-05-11
Release date:2017-12-20
Last modified:2018-01-03
Method:X-RAY DIFFRACTION (3.33 Å)
Cite:Structure-Guided Development of a Potent and Selective Non-covalent Active-Site Inhibitor of USP7.
Cell Chem Biol, 24, 2017
5XBW
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BU of 5xbw by Molmil
The structure of BrlR
Descriptor: Probable transcriptional regulator
Authors:Wang, F, Qing, H, Gu, L.
Deposit date:2017-03-21
Release date:2018-05-02
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.109 Å)
Cite:BrlR from Pseudomonas aeruginosa is a receptor for both cyclic di-GMP and pyocyanin.
Nat Commun, 9, 2018
1RYG
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BU of 1ryg by Molmil
Three dimensional solution structure of the R29A MUTANT of sodium channels inhibitor HAINANTOXIN-IV by 2D 1H-NMR
Descriptor: Hainantoxin-IV
Authors:Li, D, Lu, S, Gu, X, Liang, S.
Deposit date:2003-12-22
Release date:2004-01-13
Last modified:2021-11-10
Method:SOLUTION NMR
Cite:Structure--activity relationships of hainantoxin-IV and structure determination of active and inactive sodium channel blockers
J.Biol.Chem., 279, 2004
1RYV
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BU of 1ryv by Molmil
Three dimensional solution structure of the K27A MUTANT of sodium channels inhibitor HAINANTOXIN-IV BY 2D 1H-NMR
Descriptor: Hainantoxin-IV
Authors:Li, D, Lu, S, Gu, X, Liang, S.
Deposit date:2003-12-22
Release date:2004-01-13
Last modified:2021-11-10
Method:SOLUTION NMR
Cite:Structure--activity relationships of hainantoxin-IV and structure determination of active and inactive sodium channel blockers
J.Biol.Chem., 279, 2004
1TKQ
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BU of 1tkq by Molmil
SOLUTION STRUCTURE OF A LINKED UNSYMMETRIC GRAMICIDIN IN A MEMBRANE-ISOELECTRICAL SOLVENTS MIXTURE IN THE PRESENCE OF CsCl
Descriptor: GRAMICIDIN A, MINI-GRAMICIDIN A, SUCCINIC ACID
Authors:Xie, X, Al-Momani, L, Bockelmann, D, Griesinger, C, Koert, U.
Deposit date:2004-06-09
Release date:2004-07-13
Last modified:2019-09-25
Method:SOLUTION NMR
Cite:An Asymmetric Ion Channel Derived from Gramicidin A. Synthesis, Function and NMR Structure.
FEBS J., 272, 2005
7CC9
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BU of 7cc9 by Molmil
Sulfur binding domain of SprMcrA complexed with phosphorothioated DNA
Descriptor: ACETATE ION, DNA (5'-D(*GP*GP*CP*GP*GS*CP*CP*C)-3'), DNA (5'-D(*GP*GP*GP*CP*CP*GP*CP*C)-3'), ...
Authors:Yu, H, Zhao, G, Gan, J, Liu, G, Wu, G, He, X.
Deposit date:2020-06-16
Release date:2020-07-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.063 Å)
Cite:DNA backbone interactions impact the sequence specificity of DNA sulfur-binding domains: revelations from structural analyses.
Nucleic Acids Res., 48, 2020
7CCJ
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BU of 7ccj by Molmil
Sulfur binding domain of SprMcrA complexed with phosphorothioated DNA
Descriptor: DNA (5'-D(*GP*GP*AP*TP*CP*AP*TP*C)-3'), HNHc domain-containing protein
Authors:Yu, H, Zhao, G, Gan, J, Liu, G, Wu, G, He, X.
Deposit date:2020-06-17
Release date:2020-07-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:DNA backbone interactions impact the sequence specificity of DNA sulfur-binding domains: revelations from structural analyses.
Nucleic Acids Res., 48, 2020
6JL7
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BU of 6jl7 by Molmil
crystal structure of TBC1D23 N terminal domain
Descriptor: TBC1 domain family member 23
Authors:Sun, Q, Hu, W, Jia, D.
Deposit date:2019-03-04
Release date:2020-03-04
Last modified:2021-09-15
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of TBC1D23 N-terminus reveals a novel role for rhodanese domain.
Plos Biol., 18, 2020
5XBI
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BU of 5xbi by Molmil
The structure of BrlR-C domain bound to 3-amino-2-phenazino(a pyocyanin analog)
Descriptor: 3-azanylphenazin-2-ol, DI(HYDROXYETHYL)ETHER, Probable transcriptional regulator
Authors:Wang, F, Qing, H, Gu, L.
Deposit date:2017-03-17
Release date:2018-03-21
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:BrlR from Pseudomonas aeruginosa is a receptor for both cyclic di-GMP and pyocyanin.
Nat Commun, 9, 2018
5XBT
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BU of 5xbt by Molmil
The structure of BrlR bound to c-di-GMP
Descriptor: 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Wang, F, Qing, H, Gu, L.
Deposit date:2017-03-21
Release date:2018-05-02
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.495 Å)
Cite:BrlR from Pseudomonas aeruginosa is a receptor for both cyclic di-GMP and pyocyanin.
Nat Commun, 9, 2018
5ZHS
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BU of 5zhs by Molmil
Crystal structure of OsD14 in complex with covalently bound KK052
Descriptor: (4-phenylpiperazin-1-yl)(1H-1,2,3-triazol-1-yl)methanone, Strigolactone esterase D14
Authors:Hirabayashi, K, Miyakawa, T, Tanokura, M.
Deposit date:2018-03-13
Release date:2018-11-21
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Triazole Ureas Covalently Bind to Strigolactone Receptor and Antagonize Strigolactone Responses.
Mol Plant, 12, 2019

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