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5Y4O
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BU of 5y4o by Molmil
Cryo-EM structure of MscS channel, YnaI
Descriptor: Low conductance mechanosensitive channel YnaI
Authors:Zhang, Y, Yu, J.
Deposit date:2017-08-04
Release date:2019-03-20
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:A binding-block ion selective mechanism revealed by a Na/K selective channel.
Protein Cell, 9, 2018
6KHY
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BU of 6khy by Molmil
The crystal structure of AsfvAP:AG
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DNA (AGCGTCACCGACGAGGC), DNA(AGCGTCACCGACGAGG), ...
Authors:Chen, Y.Q, Gan, J.H.
Deposit date:2019-07-16
Release date:2020-06-03
Method:X-RAY DIFFRACTION (3.008 Å)
Cite:A unique DNA-binding mode of African swine fever virus AP endonuclease.
Cell Discov, 6, 2020
7V7M
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BU of 7v7m by Molmil
crystal structure of SARS-CoV-2 3CL protease
Descriptor: 3C-like proteinase
Authors:Yi, Y, Zhang, M, Ye, M.
Deposit date:2021-08-21
Release date:2022-06-29
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Schaftoside inhibits 3CL pro and PL pro of SARS-CoV-2 virus and regulates immune response and inflammation of host cells for the treatment of COVID-19.
Acta Pharm Sin B, 12, 2022
5ZYT
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BU of 5zyt by Molmil
Crystal structure of human MGME1 with 3' overhang double strand DNA3
Descriptor: DNA (5'-D(P*CP*TP*TP*CP*TP*TP*CP*C)-3'), Mitochondrial genome maintenance exonuclease 1
Authors:Yang, C, Gan, J.
Deposit date:2018-05-28
Release date:2018-09-19
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.702 Å)
Cite:Structural insights into DNA degradation by human mitochondrial nuclease MGME1
Nucleic Acids Res., 46, 2018
5ZYW
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BU of 5zyw by Molmil
The crystal structure of apo-HsMGME1 with Mn2+
Descriptor: GLYCEROL, L(+)-TARTARIC ACID, MANGANESE (II) ION, ...
Authors:Yang, C, Gan, J.
Deposit date:2018-05-28
Release date:2018-09-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural insights into DNA degradation by human mitochondrial nuclease MGME1
Nucleic Acids Res., 46, 2018
5DJ5
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BU of 5dj5 by Molmil
Crystal structure of rice DWARF14 in complex with synthetic strigolactone GR24
Descriptor: (3E,3aR,8bS)-3-({[(2R)-4-methyl-5-oxo-2,5-dihydrofuran-2-yl]oxy}methylidene)-3,3a,4,8b-tetrahydro-2H-indeno[1,2-b]furan-2-one, Probable strigolactone esterase D14
Authors:Zhou, X.E, Zhao, L.-H, Yi, W, Wu, Z.-S, Liu, Y, Kang, Y, Hou, L, de Waal, P.W, Li, S, Jiang, Y, Melcher, K, Xu, H.E.
Deposit date:2015-09-01
Release date:2015-10-28
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Destabilization of strigolactone receptor DWARF14 by binding of ligand and E3-ligase signaling effector DWARF3.
Cell Res., 25, 2015
7JOU
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BU of 7jou by Molmil
CRYSTAL STRUCTURE OF RHO-ASSOCIATED PROTEIN KINASE 1 (ROCK1) IN COMPLEX WITH A PHENYLPYRAZOLE AMIDE INHIBITOR
Descriptor: N-[(1S)-2-hydroxy-1-phenylethyl]-3-methoxy-4-(1H-pyrazol-4-yl)benzamide, Rho-associated protein kinase 1
Authors:Muckelbauer, J.K.
Deposit date:2020-08-07
Release date:2020-09-02
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (3.318 Å)
Cite:Discovery of a phenylpyrazole amide ROCK inhibitor as a tool molecule for in vivo studies.
Bioorg.Med.Chem.Lett., 30, 2020
7JOV
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BU of 7jov by Molmil
CRYSTAL STRUCTURE OF RHO-ASSOCIATED PROTEIN KINASE 2 (ROCK2) IN COMPLEX WITH A PHENYLPYRAZOLE AMIDE INHIBITOR
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, N-[(1S)-2-hydroxy-1-phenylethyl]-3-methoxy-4-(1H-pyrazol-4-yl)benzamide, ...
Authors:Muckelbauer, J.K.
Deposit date:2020-08-07
Release date:2020-09-02
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.586 Å)
Cite:Discovery of a phenylpyrazole amide ROCK inhibitor as a tool molecule for in vivo studies.
Bioorg.Med.Chem.Lett., 30, 2020
7KEO
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BU of 7keo by Molmil
Crystal structure of K29-linked di-ubiquitin in complex with synthetic antigen binding fragment
Descriptor: PHOSPHATE ION, Synthetic antigen binding fragment, heavy chain, ...
Authors:Yu, Y, Zheng, Q, Erramilli, S, Pan, M, Kossiakoff, A, Liu, L, Zhao, M.
Deposit date:2020-10-11
Release date:2021-07-28
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:K29-linked ubiquitin signaling regulates proteotoxic stress response and cell cycle.
Nat.Chem.Biol., 17, 2021
5C90
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BU of 5c90 by Molmil
Staphylococcus aureus ClpP mutant - Y63A
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, ATP-dependent Clp protease proteolytic subunit
Authors:Ye, F, Liu, H, Zhang, J, Gan, J, Yang, C.-G.
Deposit date:2015-06-26
Release date:2016-05-25
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Characterization of Gain-of-Function Mutant Provides New Insights into ClpP Structure
Acs Chem.Biol., 11, 2016
5ZYU
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BU of 5zyu by Molmil
The crystal structure of humanMGME1 with single strand DNA2
Descriptor: DNA (5'-D(P*CP*AP*AP*CP*AP*AP*CP*A)-3'), GLYCEROL, Mitochondrial genome maintenance exonuclease 1
Authors:Yang, C, Gan, J.
Deposit date:2018-05-28
Release date:2018-09-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.752 Å)
Cite:Structural insights into DNA degradation by human mitochondrial nuclease MGME1
Nucleic Acids Res., 46, 2018
7WN0
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BU of 7wn0 by Molmil
Structure of PfENT1(Y190A) in complex with nanobody 19
Descriptor: Equilibrative nucleoside/nucleobase transporter, nanobody19
Authors:Wang, C, Deng, D, Ren, R.B, Yu, L.Y.
Deposit date:2022-01-17
Release date:2023-02-01
Last modified:2023-08-16
Method:ELECTRON MICROSCOPY (3.64 Å)
Cite:Structural basis of the substrate recognition and inhibition mechanism of Plasmodium falciparum nucleoside transporter PfENT1.
Nat Commun, 14, 2023
7WN1
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BU of 7wn1 by Molmil
Structure of PfNT1(Y190A) in complex with nanobody 48 and inosine
Descriptor: Equilibrative nucleoside/nucleobase transporter, INOSINE, nanobody48
Authors:Wang, C, Deng, D, Ren, R.B, Yu, L.Y.
Deposit date:2022-01-17
Release date:2023-02-01
Last modified:2023-08-16
Method:ELECTRON MICROSCOPY (3.11 Å)
Cite:Structural basis of the substrate recognition and inhibition mechanism of Plasmodium falciparum nucleoside transporter PfENT1.
Nat Commun, 14, 2023
5ZYV
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BU of 5zyv by Molmil
Crystal structure of human MGME1 with single strand DNA2 and Ca2+
Descriptor: ACETATE ION, CALCIUM ION, DNA (5'-D(P*CP*AP*AP*CP*AP*AP*T)-3'), ...
Authors:Yang, C, Gan, J.
Deposit date:2018-05-28
Release date:2018-09-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.72 Å)
Cite:Structural insights into DNA degradation by human mitochondrial nuclease MGME1
Nucleic Acids Res., 46, 2018
6JKM
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BU of 6jkm by Molmil
Crystal structure of BubR1 kinase domain
Descriptor: ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ...
Authors:Lin, L, Ye, S, Huang, Y, Liu, X, Zhang, R, Yao, X.
Deposit date:2019-03-01
Release date:2019-06-26
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:BubR1 phosphorylates CENP-E as a switch enabling the transition from lateral association to end-on capture of spindle microtubules.
Cell Res., 29, 2019
7CYV
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BU of 7cyv by Molmil
Crystal structure of FD20, a neutralizing single-chain variable fragment (scFv) in complex with SARS-CoV-2 Spike receptor-binding domain (RBD)
Descriptor: Spike protein S1, The heavy chain variable region of the scFv FD20,The light chain variable region of the scFv FD20, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-3)][alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Li, Y, Li, T, Lai, Y, Cai, H, Yao, H, Li, D.
Deposit date:2020-09-04
Release date:2021-09-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.13 Å)
Cite:Uncovering a conserved vulnerability site in SARS-CoV-2 by a human antibody.
Embo Mol Med, 13, 2021
2MJV
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BU of 2mjv by Molmil
Solution structures of second bromodomain of Brd4 with di-acetylated Twist peptide
Descriptor: Bromodomain-containing protein 4, Twist-related protein 1
Authors:Zeng, L, Zhou, M.
Deposit date:2014-01-16
Release date:2014-03-19
Last modified:2023-11-15
Method:SOLUTION NMR
Cite:Disrupting the Interaction of BRD4 with Diacetylated Twist Suppresses Tumorigenesis in Basal-like Breast Cancer.
Cancer Cell, 25, 2014
6KE1
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BU of 6ke1 by Molmil
Crystal structure of TtCas1
Descriptor: CRISPR-associated endonuclease Cas1 2
Authors:Wang, Y.L, Li, J.Z, Yang, J, Wang, J.Y.
Deposit date:2019-07-03
Release date:2019-12-18
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.39 Å)
Cite:Crystal structure of Cas1 in complex with branched DNA.
Sci China Life Sci, 63, 2020
3LX7
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BU of 3lx7 by Molmil
Crystal structure of a Novel Tudor domain-containing protein SGF29
Descriptor: SAGA-associated factor 29 homolog, SULFATE ION, UNKNOWN ATOM OR ION
Authors:Bian, C.B, Xu, C, Tempel, W, Lam, R, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A.M, Bochkarev, A, Min, J.
Deposit date:2010-02-24
Release date:2010-05-05
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Sgf29 binds histone H3K4me2/3 and is required for SAGA complex recruitment and histone H3 acetylation.
Embo J., 30, 2011
3H5S
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BU of 3h5s by Molmil
Hepatitis C virus polymerase NS5B with saccharin inhibitor
Descriptor: (5S)-5-tert-butyl-1-(4-fluoro-3-methylbenzyl)-4-hydroxy-3-[8-(methylsulfonyl)-1,1-dioxido-6,7,8,9-tetrahydroisothiazolo[4,5-h]isoquinolin-3-yl]-1,5-dihydro-2H-pyrrol-2-one, RNA-directed RNA polymerase
Authors:Harris, S.F, Wong, A.
Deposit date:2009-04-22
Release date:2009-09-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Non-nucleoside inhibitors of HCV polymerase NS5B. Part 4: structure-based design, synthesis, and biological evaluation of benzo[d]isothiazole-1,1-dioxides
Bioorg.Med.Chem.Lett., 19, 2009
5DH5
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BU of 5dh5 by Molmil
PDE10 complexed with N-[(1-methylpyrazol-4-yl)methyl]-5-[[(1S,2S)-2-(2-pyridyl)cyclopropyl]methoxy]pyrazolo[1,5-a]pyrimidin-7-amine
Descriptor: MAGNESIUM ION, N-[(1-methyl-1H-pyrazol-4-yl)methyl]-5-{[(1S,2S)-2-(pyridin-2-yl)cyclopropyl]methoxy}pyrazolo[1,5-a]pyrimidin-7-amine, ZINC ION, ...
Authors:Yan, Y.
Deposit date:2015-08-29
Release date:2016-01-27
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of pyrazolopyrimidine phosphodiesterase 10A inhibitors for the treatment of schizophrenia.
Bioorg.Med.Chem.Lett., 26, 2016
6KDV
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BU of 6kdv by Molmil
Crystal structure of TtCas1-DNA complex
Descriptor: CRISPR-associated endonuclease Cas1 2, DNA (5'-D(*GP*AP*GP*TP*CP*GP*AP*TP*GP*CP*TP*GP*GP*TP*TP*TP*TP*TP*TP*TP*TP*TP*T)-3'), DNA (5'-D(*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*CP*CP*AP*GP*CP*AP*TP*CP*GP*AP*CP*TP*C)-3')
Authors:Wang, Y.L, Li, J.Z, Yang, J, Wang, J.Y.
Deposit date:2019-07-02
Release date:2019-12-18
Last modified:2020-05-06
Method:X-RAY DIFFRACTION (3.11 Å)
Cite:Crystal structure of Cas1 in complex with branched DNA.
Sci China Life Sci, 63, 2020
5HAA
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BU of 5haa by Molmil
Crystal structure of mpy-RNase J, an archaeal RNase J from Methanolobus psychrophilus R15
Descriptor: Ribonuclease J, SULFATE ION, ZINC ION
Authors:Feng, N, Li, D.F.
Deposit date:2015-12-30
Release date:2017-01-04
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.904 Å)
Cite:Molecular insights into catalysis and processive exonucleolytic mechanisms of prokaryotic RNase J revealing striking parallels with that of eukaryotic Xrn1
To Be Published
5HAB
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BU of 5hab by Molmil
Crystal structure of mpy-RNase J (mutant H84A), an archaeal RNase J from Methanolobus psychrophilus R15, complex with RNA
Descriptor: RNA (5'-R(P*AP*AP*AP*AP*A)-3'), Ribonuclease J, SULFATE ION
Authors:Li, D.F, Feng, N.
Deposit date:2015-12-30
Release date:2017-01-04
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Molecular insights into catalysis and processive exonucleolytic mechanisms of prokaryotic RNase J revealing striking parallels with that of eukaryotic Xrn1
To Be Published
8HVS
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BU of 8hvs by Molmil
Solution Structure of the Antimicrobial Peptide HT-2
Descriptor: ARG-PHE-LEU-ARG-ARG-ILE-PHE-PHE-PHE-PHE
Authors:Li, S, Yang, A.
Deposit date:2022-12-27
Release date:2023-10-25
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Design and evaluation of tadpole-like conformational antimicrobial peptides.
Commun Biol, 6, 2023

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