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6L1F
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BU of 6l1f by Molmil
Crystal structure of PHF20L1 Tudor1 in complex with K142me1 DNMT1
Descriptor: PHD finger protein 20-like protein 1, the K142me1 DNMT1 peptide
Authors:Lv, M.Q, Gao, J.
Deposit date:2019-09-29
Release date:2020-09-23
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Conformational Selection in Ligand Recognition by the First Tudor Domain of PHF20L1.
J Phys Chem Lett, 11, 2020
5Y5W
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BU of 5y5w by Molmil
Crystal structure of human Spindlin1 in complex with a histone H4K20(me3) peptide
Descriptor: Histone peptide H4K20(me3), Spindlin-1
Authors:Wang, C, Zang, J.
Deposit date:2017-08-10
Release date:2017-10-11
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Spindlin-1 recognizes methylations of K20 and R23 of histone H4 tail
FEBS Lett., 592, 2018
7RXA
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BU of 7rxa by Molmil
afTMEM16 DE/AA mutant in C14 lipid nanodiscs in the presence of Ca2+
Descriptor: (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, afTMEM16 lipid scramblase
Authors:Feng, Z, Accardi, A.
Deposit date:2021-08-22
Release date:2022-05-18
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (3.08 Å)
Cite:TMEM16 scramblases thin the membrane to enable lipid scrambling.
Nat Commun, 13, 2022
7RX2
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BU of 7rx2 by Molmil
afTMEM16 in C22 lipid nanodiscs with MSP1E3 scaffold protein in the presnece of Ca2+
Descriptor: (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, CALCIUM ION, afTMEM16 lipid scramblase
Authors:Falzone, M.E, Accardi, A.
Deposit date:2021-08-21
Release date:2022-05-18
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:TMEM16 scramblases thin the membrane to enable lipid scrambling.
Nat Commun, 13, 2022
7RXH
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BU of 7rxh by Molmil
afTMEM16 in C18 lipid nanodiscs with MSP1E3 scaffold protein in the presence of Ca2+, monomer with extra lipids
Descriptor: (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, CALCIUM ION, afTMEM16 lipid scramblase
Authors:Falzone, M.E, Accardi, A.
Deposit date:2021-08-23
Release date:2022-05-18
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (2.3 Å)
Cite:TMEM16 scramblases thin the membrane to enable lipid scrambling.
Nat Commun, 13, 2022
7RX3
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BU of 7rx3 by Molmil
afTMEM16 in C14 lipid nanodiscs with MSP1E3 scaffold protein in the absence of Ca2+
Descriptor: (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, afTMEM16 lipid scramblase
Authors:Falzone, M.E, Accardi, A.
Deposit date:2021-08-21
Release date:2022-05-18
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:TMEM16 scramblases thin the membrane to enable lipid scrambling.
Nat Commun, 13, 2022
7RXG
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BU of 7rxg by Molmil
afTMEM16 in C18 lipid nanodiscs with MSP1E3 scaffold protein in the presence of Ca2+, full dimer
Descriptor: (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, CALCIUM ION, afTMEM16 lipid scramblase
Authors:Falzone, M.E, Accardi, A.
Deposit date:2021-08-23
Release date:2022-05-18
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (2.28 Å)
Cite:TMEM16 scramblases thin the membrane to enable lipid scrambling.
Nat Commun, 13, 2022
7RXB
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BU of 7rxb by Molmil
afTMEM16 lipid scramblase in C18 lipid nanodiscs in the absence of Ca2+
Descriptor: (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, afTMEM16 lipid scramblase
Authors:Feng, Z, Accardi, A.
Deposit date:2021-08-22
Release date:2022-05-18
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (3.07 Å)
Cite:TMEM16 scramblases thin the membrane to enable lipid scrambling.
Nat Commun, 13, 2022
7RWJ
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BU of 7rwj by Molmil
afTMEM16 in C22 lipid nanodiscs with MSP2N2 scaffold protein in the presnece of Ca2+
Descriptor: (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, CALCIUM ION, Plasma membrane channel protein (Aqy1), ...
Authors:Falzone, M.E, Accardi, A.
Deposit date:2021-08-20
Release date:2022-05-18
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:TMEM16 scramblases thin the membrane to enable lipid scrambling.
Nat Commun, 13, 2022
5ZAN
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BU of 5zan by Molmil
Crystal Structure of Aurora-A in complex with a new Quinazoline inhibitor
Descriptor: 7-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[(E)-2-phenylethenyl]quinazolin-4-amine, Aurora kinase A
Authors:Cheng, B, Lu, G, Zhou, H.
Deposit date:2018-02-07
Release date:2019-02-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Optimization of Novel Quinazolines as Potent and Orally Bioavailable Aurora Kinase Inhibitors
To Be Published
8HGK
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BU of 8hgk by Molmil
Crystal structure of human ClpP in complex with ZK53
Descriptor: 4-[[3,5-bis(fluoranyl)phenyl]methyl]-N-[(4-bromophenyl)methyl]piperazine-1-carboxamide, ATP-dependent Clp protease proteolytic subunit, mitochondrial, ...
Authors:Yang, C.-G, Gan, J.H, Zhou, L.-L.
Deposit date:2022-11-14
Release date:2023-09-27
Last modified:2024-04-17
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Selective activator of human ClpP triggers cell cycle arrest to inhibit lung squamous cell carcinoma.
Nat Commun, 14, 2023
6EA8
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BU of 6ea8 by Molmil
Structure of VACV poxin in pre-reactive state with nonhydrolyzable 2'3' cGAMP
Descriptor: (2S,5R,7R,8R,10R,12aR,14R,15R,15aS,16R)-7-(2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-14-(6-amino-9H-purin-9-yl)-15,16-dihydroxy-2,10-disulfanyloctahydro-2H,10H,12H-5,8-methano-2lambda~5~,10lambda~5~-furo[3,2-l][1,3,6,9,11,2,10]pentaoxadiphosphacyclotetradecine-2,10-dione, O-[(1R,2R,3R)-5-{[(S)-{[(2R,3R,4R,5R)-2-(2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-4-hydroxy-5-(hydroxymethyl)tetrahydro furan-3-yl]oxy}(sulfanyl)phosphoryl]oxy}-1-(6-amino-9H-purin-9-yl)-1,2-dihydroxypentan-3-yl] dihydrogen (R)-phosphorothioate, Protein B2
Authors:Eaglesham, J.B, Kranzusch, P.J.
Deposit date:2018-08-02
Release date:2019-02-06
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Viral and metazoan poxins are cGAMP-specific nucleases that restrict cGAS-STING signalling.
Nature, 566, 2019
6EA6
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BU of 6ea6 by Molmil
Structure of VACV poxin 2'3' cGAMP-specific nuclease
Descriptor: Protein B2
Authors:Eaglesham, J.B, Kranzusch, P.J.
Deposit date:2018-08-02
Release date:2019-02-06
Last modified:2019-12-11
Method:X-RAY DIFFRACTION (1.703 Å)
Cite:Viral and metazoan poxins are cGAMP-specific nucleases that restrict cGAS-STING signalling.
Nature, 566, 2019
8IYJ
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BU of 8iyj by Molmil
Cryo-EM structure of the 48-nm repeat doublet microtubule from mouse sperm
Descriptor: Cilia and flagella-associated protein 77, Cilia- and flagella-associated protein 107, Cilia- and flagella-associated protein 141, ...
Authors:Zhou, L.N, Gui, M, Wu, J.P.
Deposit date:2023-04-05
Release date:2023-07-05
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structures of sperm flagellar doublet microtubules expand the genetic spectrum of male infertility.
Cell, 186, 2023
6EA9
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BU of 6ea9 by Molmil
Structure of VACV Poxin in post-reactive state with Gp[2'-5']Ap[3']
Descriptor: 2',5'-GpAp, Protein B2
Authors:Eaglesham, J.B, Kranzusch, P.J.
Deposit date:2018-08-02
Release date:2019-02-06
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Viral and metazoan poxins are cGAMP-specific nucleases that restrict cGAS-STING signalling.
Nature, 566, 2019
1K9T
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BU of 1k9t by Molmil
Chitinase a complexed with tetra-N-acetylchitotriose
Descriptor: 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-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHITINASE A
Authors:Prag, G, Tucker, P.A, Oppenheim, A.B.
Deposit date:2001-10-30
Release date:2002-11-06
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Complex Structures of Chitinase A Mutant with Oligonag Provide Insight Into the Enzymatic Mechanism
To be Published
4EZC
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BU of 4ezc by Molmil
Crystal Structure of the UT-B Urea Transporter from Bos Taurus
Descriptor: OCTANOIC ACID (2-HYDROXY-1-HYDROXYMETHYL-HEPTADEC-3-ENYL)-AMIDE, Urea transporter 1, beta-D-glucopyranose, ...
Authors:Cao, Y, Levin, E.J, Zhou, M, New York Consortium on Membrane Protein Structure (NYCOMPS)
Deposit date:2012-05-02
Release date:2012-06-27
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Structure and permeation mechanism of a mammalian urea transporter.
Proc.Natl.Acad.Sci.USA, 109, 2012
4EZD
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BU of 4ezd by Molmil
Crystal Structure of the UT-B Urea Transporter from Bos Taurus Bound to Selenourea
Descriptor: OCTANOIC ACID (2-HYDROXY-1-HYDROXYMETHYL-HEPTADEC-3-ENYL)-AMIDE, Urea transporter 1, beta-D-glucopyranose, ...
Authors:Cao, Y, Levin, E.J, Zhou, M, New York Consortium on Membrane Protein Structure (NYCOMPS)
Deposit date:2012-05-02
Release date:2012-06-27
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure and permeation mechanism of a mammalian urea transporter.
Proc.Natl.Acad.Sci.USA, 109, 2012
7CFQ
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BU of 7cfq by Molmil
Crystal structure of WDR5 in complex with H3K4me3Q5ser peptide
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, H3K4me3Q5ser peptide, ...
Authors:Zhao, J, Zhang, X, Zang, J.
Deposit date:2020-06-27
Release date:2021-07-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural insights into the recognition of histone H3Q5 serotonylation by WDR5.
Sci Adv, 7, 2021
7CFP
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BU of 7cfp by Molmil
Crystal structure of WDR5 in complex with a H3Q5ser peptide
Descriptor: H3Q5ser peptide, SEROTONIN, WD repeat-containing protein 5
Authors:Zhao, J, Zhang, X, Zang, J.
Deposit date:2020-06-27
Release date:2021-07-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural insights into the recognition of histone H3Q5 serotonylation by WDR5.
Sci Adv, 7, 2021
7XMZ
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BU of 7xmz by Molmil
Cryo-EM structure of SARS-CoV-2 spike glycoprotein in complex with three D2 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, D2 heavy chain, D2 light chain, ...
Authors:Wang, X, Li, X.
Deposit date:2022-04-27
Release date:2022-11-23
Method:ELECTRON MICROSCOPY (3.25 Å)
Cite:Structural basis of a two-antibody cocktail exhibiting highly potent and broadly neutralizing activities against SARS-CoV-2 variants including diverse Omicron sublineages.
Cell Discov, 8, 2022
7XMX
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BU of 7xmx by Molmil
Cryo-EM structure of SARS-CoV-2 spike glycoprotein in complex with three F61 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, F61 heavy chain, F61 light chain, ...
Authors:Wang, X, Li, X.
Deposit date:2022-04-27
Release date:2022-11-23
Method:ELECTRON MICROSCOPY (3.62 Å)
Cite:Structural basis of a two-antibody cocktail exhibiting highly potent and broadly neutralizing activities against SARS-CoV-2 variants including diverse Omicron sublineages.
Cell Discov, 8, 2022
7XST
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BU of 7xst by Molmil
Cryo-EM structure of SARS-CoV-2 Omicron spike glycoprotein in complex with three F61 Fab and three D2 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, D2 heavy chain, D2 light chain, ...
Authors:Wang, X, Li, X.
Deposit date:2022-05-15
Release date:2022-11-23
Method:ELECTRON MICROSCOPY (3.04 Å)
Cite:Structural basis of a two-antibody cocktail exhibiting highly potent and broadly neutralizing activities against SARS-CoV-2 variants including diverse Omicron sublineages.
Cell Discov, 8, 2022
4ZFQ
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BU of 4zfq by Molmil
Structure of M. tuberculosis (3,3) L,D-Transpeptidase, LdtMt5. (Meropenen-adduct form)
Descriptor: (2S,3R,4S)-4-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-3-methyl-3,4-dihydro-2H-pyrrole-5-carboxylic acid, DI(HYDROXYETHYL)ETHER, L,D-transpeptidase 5
Authors:Basta, L, Ghosh, A, Lamichhane, G, Bianchet, M.A.
Deposit date:2015-04-21
Release date:2015-09-02
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.799 Å)
Cite:Loss of a Functionally and Structurally Distinct ld-Transpeptidase, LdtMt5, Compromises Cell Wall Integrity in Mycobacterium tuberculosis.
J.Biol.Chem., 290, 2015
4F7O
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BU of 4f7o by Molmil
Crystal structure of CSN5
Descriptor: COP9 signalosome complex subunit 5, THIOCYANATE ION, ZINC ION
Authors:Echalier, A, Birol, M, Hoh, F, Dumas, C.
Deposit date:2012-05-16
Release date:2013-01-23
Last modified:2013-02-06
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Insights into the regulation of the human COP9 signalosome catalytic subunit, CSN5/Jab1.
Proc.Natl.Acad.Sci.USA, 110, 2013

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