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4G2W
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BU of 4g2w by Molmil
Crystal structure of PDE5A in complex with its inhibitor
Descriptor: 5,6-diethyl-2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}pyrimidin-4(3H)-one, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ...
Authors:Ren, J, Chen, T.T, Xu, Y.C.
Deposit date:2012-07-13
Release date:2013-06-26
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Design, synthesis, and pharmacological evaluation of monocyclic pyrimidinones as novel inhibitors of PDE5.
J.Med.Chem., 55, 2012
4G2Y
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BU of 4g2y by Molmil
Crystal structure of PDE5A complexed with its inhibitor
Descriptor: 2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}-3,5,6,7-tetrahydro-4H-cyclopenta[d]pyrimidin-4-one, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ...
Authors:Ren, J, Chen, T.T, Xu, Y.C.
Deposit date:2012-07-13
Release date:2013-06-26
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Design, synthesis, and pharmacological evaluation of monocyclic pyrimidinones as novel inhibitors of PDE5.
J.Med.Chem., 55, 2012
6L5Z
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BU of 6l5z by Molmil
Crystal strucutre of AF9 YEATS domain in complex with a cyclopeptide inhibitor
Descriptor: Protein AF-9, SC0-ALO-ALA-SC3-SC4-NH2
Authors:Li, Y, Chen, G, Li, H.
Deposit date:2019-10-25
Release date:2020-10-28
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:Selective Targeting of AF9 YEATS Domain by Cyclopeptide Inhibitors with Preorganized Conformation.
J.Am.Chem.Soc., 142, 2020
4JPO
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BU of 4jpo by Molmil
5A resolution structure of Proteasome Assembly Chaperone Hsm3 in complex with a C-terminal fragment of Rpt1
Descriptor: 26S protease regulatory subunit 7 homolog, DNA mismatch repair protein HSM3
Authors:Lovell, S, Battaile, K.P, Singh, R, Roelofs, J.
Deposit date:2013-03-19
Release date:2013-04-10
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (5 Å)
Cite:Reconfiguration of the proteasome during chaperone-mediated assembly.
Nature, 497, 2013
6IWI
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BU of 6iwi by Molmil
Crystal structure of PDE5A in complex with a novel inhibitor
Descriptor: MAGNESIUM ION, N-[3-(4,5-diethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-4-propoxyphenyl]-2-(4-methylpiperazin-1-yl)acetamide, ZINC ION, ...
Authors:Zhang, X.L, Xu, Y.C.
Deposit date:2018-12-05
Release date:2019-12-11
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.155 Å)
Cite:Pharmacokinetics-Driven Optimization of 4(3 H)-Pyrimidinones as Phosphodiesterase Type 5 Inhibitors Leading to TPN171, a Clinical Candidate for the Treatment of Pulmonary Arterial Hypertension.
J.Med.Chem., 62, 2019
7DFH
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BU of 7dfh by Molmil
Structure of COVID-19 RNA-dependent RNA polymerase bound to ribavirin
Descriptor: MAGNESIUM ION, Non-structural protein 7, Non-structural protein 8, ...
Authors:Li, Z, Zhou, Z, Yu, X.
Deposit date:2020-11-08
Release date:2021-11-17
Method:ELECTRON MICROSCOPY (2.97 Å)
Cite:Structural basis for repurpose and design of nucleotide drugs for treating COVID-19
To Be Published
7DFG
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BU of 7dfg by Molmil
Structure of COVID-19 RNA-dependent RNA polymerase bound to favipiravir
Descriptor: 6-fluoro-3-oxo-4-(5-O-phosphono-beta-D-ribofuranosyl)-3,4-dihydropyrazine-2-carboxamide, MAGNESIUM ION, Non-structural protein 7, ...
Authors:Li, Z, Zhou, Z, Yu, X.
Deposit date:2020-11-08
Release date:2021-11-17
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Structural basis for repurpose and design of nucleotide drugs for treating COVID-19
To Be Published
7DOI
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BU of 7doi by Molmil
Structure of COVID-19 RNA-dependent RNA polymerase bound to penciclovir.
Descriptor: MAGNESIUM ION, Non-structural protein 7, Non-structural protein 8, ...
Authors:Li, Z, Yu, X.
Deposit date:2020-12-14
Release date:2021-12-15
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Structural basis for repurpose and design of nucleotide drugs for treating COVID-19
To Be Published
7DOK
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BU of 7dok by Molmil
Structure of COVID-19 RNA-dependent RNA polymerase (extended conformation) bound to penciclovir
Descriptor: MAGNESIUM ION, Non-structural protein 7, Non-structural protein 8, ...
Authors:Li, Z, Yu, X.
Deposit date:2020-12-14
Release date:2021-12-15
Method:ELECTRON MICROSCOPY (2.73 Å)
Cite:Structural basis for repurpose and design of nucleotide drugs for treating COVID-19
To Be Published
5YYF
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BU of 5yyf by Molmil
Crystal structure of AF9 YEATS domain in complex with a peptide inhibitor "PHQ-H3(Q5-K9)" modified at K9 with 2-furancarboyl group
Descriptor: 2-FUROIC ACID, Peptide inhibitor PHQ-H3(Q5-K9), Protein AF-9, ...
Authors:Li, Y, Li, H.
Deposit date:2017-12-09
Release date:2018-11-07
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.903 Å)
Cite:Structure-guided development of YEATS domain inhibitors by targeting pi-pi-pi stacking.
Nat. Chem. Biol., 14, 2018
2N3V
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BU of 2n3v by Molmil
Solution structure of the Rpn1 T1 site with K48-linked diubiquitin in the extended binding mode
Descriptor: 26S proteasome regulatory subunit RPN1, Ubiquitin-60S ribosomal protein L40
Authors:Chen, X, Walters, K.J.
Deposit date:2015-06-10
Release date:2016-02-24
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Rpn1 provides adjacent receptor sites for substrate binding and deubiquitination by the proteasome.
Science, 351, 2016
2N3T
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BU of 2n3t by Molmil
Solution structure of the Rpn1 substrate receptor site toroid 1 (T1)
Descriptor: 26S proteasome regulatory subunit RPN1
Authors:Chen, X, Walters, K.J.
Deposit date:2015-06-10
Release date:2016-02-24
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Rpn1 provides adjacent receptor sites for substrate binding and deubiquitination by the proteasome.
Science, 351, 2016
2N3U
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BU of 2n3u by Molmil
Solution structure of the Rpn1 T1 site engaging two monoubiquitin molecules
Descriptor: 26S proteasome regulatory subunit RPN1, Ubiquitin-60S ribosomal protein L40
Authors:Chen, X, Walters, K.J.
Deposit date:2015-06-10
Release date:2016-02-24
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Rpn1 provides adjacent receptor sites for substrate binding and deubiquitination by the proteasome.
Science, 351, 2016
2N3W
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BU of 2n3w by Molmil
Solution structure of the Rpn1 T1 site with K48-linked diubiquitin in the contracted binding mode
Descriptor: 26S proteasome regulatory subunit RPN1, Ubiquitin-60S ribosomal protein L40
Authors:Chen, X, Walters, K.J.
Deposit date:2015-06-10
Release date:2016-02-24
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Rpn1 provides adjacent receptor sites for substrate binding and deubiquitination by the proteasome.
Science, 351, 2016
8GPN
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BU of 8gpn by Molmil
Human menin in complex with H3K79Me2 nucleosome
Descriptor: DNA (177-MER), Histone H2A type 1, Histone H2B 1.1, ...
Authors:Lin, J, Yu, D, Lam, W.H, Dang, S, Zhai, Y, Li, X.D.
Deposit date:2022-08-26
Release date:2023-02-15
Last modified:2023-03-01
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Menin "reads" H3K79me2 mark in a nucleosomal context.
Science, 379, 2023
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