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8C58
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BU of 8c58 by Molmil
CpG specific M.MpeI methyltransferase crystallized in the presence of 5-hydroxycytosine and 5-methylcytosine containing dsDNA
Descriptor: CARBONATE ION, Cytosine-specific methyltransferase, DNA (5'-D(*CP*CP*AP*CP*AP*TP*GP*(5OC)P*GP*CP*TP*GP*AP*A)-3'), ...
Authors:Wojciechowski, M, Czapinska, H, Krwawicz, J, Rafalski, D, Bochtler, M.
Deposit date:2023-01-06
Release date:2024-01-17
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Cytosine analogues as DNA methyltransferase substrates and inhibitors
To Be Published
8C57
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BU of 8c57 by Molmil
CpG specific M.MpeI methyltransferase crystallized in the presence of 5,6-dihydro-5-azacytosine (converted to 5m-dhaC) and 5-methylcytosine containing dsDNA
Descriptor: CARBONATE ION, Cytosine-specific methyltransferase, DNA (5'-D(*CP*CP*AP*CP*AP*TP*GP*(5MA)P*GP*CP*TP*GP*AP*A)-3'), ...
Authors:Wojciechowski, M, Czapinska, H, Krwawicz, J, Rafalski, D, Bochtler, M.
Deposit date:2023-01-06
Release date:2024-01-17
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Cytosine analogues as DNA methyltransferase substrates and inhibitors
To Be Published
8C56
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BU of 8c56 by Molmil
CpG specific M.MpeI methyltransferase crystallized in the presence of 2'-deoxy-5-methylzebularine (5mZ) and 5-methylcytosine containing dsDNA
Descriptor: Cytosine-specific methyltransferase, DNA (5'-D(*CP*CP*AP*CP*AP*TP*GP*(5PY)P*GP*CP*TP*GP*AP*A)-3'), DNA (5'-D(*GP*TP*TP*CP*AP*GP*(5CM)P*GP*CP*AP*TP*GP*TP*G)-3'), ...
Authors:Wojciechowski, M, Czapinska, H, Krwawicz, J, Rafalski, D, Bochtler, M.
Deposit date:2023-01-06
Release date:2024-01-17
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Cytosine analogues as DNA methyltransferase substrates and inhibitors
To Be Published
8C59
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BU of 8c59 by Molmil
CpG specific M.MpeI methyltransferase crystallized in the presence of 5-bromocytosine (converted to 5mC) and 5-methylcytosine containing dsDNA
Descriptor: CARBONATE ION, CITRIC ACID, Cytosine-specific methyltransferase, ...
Authors:Wojciechowski, M, Czapinska, H, Krwawicz, J, Rafalski, D, Bochtler, M.
Deposit date:2023-01-06
Release date:2024-01-17
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Cytosine analogues as DNA methyltransferase substrates and inhibitors
To Be Published
8EIK
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BU of 8eik by Molmil
Cryo-EM structure of human DNMT3B homo-hexamer
Descriptor: DNA (cytosine-5)-methyltransferase 3B, S-ADENOSYL-L-HOMOCYSTEINE, ZINC ION
Authors:Lu, J.W, Song, J.K.
Deposit date:2022-09-15
Release date:2023-09-20
Last modified:2023-12-20
Method:ELECTRON MICROSCOPY (3.19 Å)
Cite:Structural basis for the allosteric regulation and dynamic assembly of DNMT3B.
Nucleic Acids Res., 51, 2023
8EII
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BU of 8eii by Molmil
Cryo-EM structure of human DNMT3B homo-tetramer (form II)
Descriptor: DNA (cytosine-5)-methyltransferase 3B, S-ADENOSYL-L-HOMOCYSTEINE, ZINC ION
Authors:Lu, J.W, Song, J.K.
Deposit date:2022-09-15
Release date:2023-09-20
Last modified:2023-12-20
Method:ELECTRON MICROSCOPY (3.12 Å)
Cite:Structural basis for the allosteric regulation and dynamic assembly of DNMT3B.
Nucleic Acids Res., 51, 2023
8EIH
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BU of 8eih by Molmil
Cryo-EM structure of human DNMT3B homo-tetramer (form I)
Descriptor: DNA (cytosine-5)-methyltransferase 3B, S-ADENOSYL-L-HOMOCYSTEINE, ZINC ION
Authors:Lu, J.W, Song, J.K.
Deposit date:2022-09-15
Release date:2023-09-20
Last modified:2024-04-03
Method:ELECTRON MICROSCOPY (3.04 Å)
Cite:Structural basis for the allosteric regulation and dynamic assembly of DNMT3B.
Nucleic Acids Res., 51, 2023
8EIJ
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BU of 8eij by Molmil
Cryo-EM structure of human DNMT3B homo-trimer
Descriptor: DNA (cytosine-5)-methyltransferase 3B, S-ADENOSYL-L-HOMOCYSTEINE, ZINC ION
Authors:Lu, J.W, Song, J.K.
Deposit date:2022-09-15
Release date:2023-09-20
Last modified:2023-12-20
Method:ELECTRON MICROSCOPY (3.34 Å)
Cite:Structural basis for the allosteric regulation and dynamic assembly of DNMT3B.
Nucleic Acids Res., 51, 2023
7C01
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BU of 7c01 by Molmil
Molecular basis for a potent human neutralizing antibody targeting SARS-CoV-2 RBD
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CB6 heavy chain, CB6 light chain, ...
Authors:Shi, R, Qi, J, Wang, Q, Gao, F.G, Yan, J.
Deposit date:2020-04-29
Release date:2020-05-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.88 Å)
Cite:A human neutralizing antibody targets the receptor-binding site of SARS-CoV-2.
Nature, 584, 2020
7LO8
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BU of 7lo8 by Molmil
NorA in complex with Fab36
Descriptor: Fab36 Heavy Chain, Fab36 Light Chain, Quinolone resistance protein NorA
Authors:Brawley, D.N, Sauer, D.B, Song, J.M, Koide, A, Koide, S, Traaseth, N.J, Wang, D.N.
Deposit date:2021-02-09
Release date:2022-04-20
Last modified:2022-07-13
Method:ELECTRON MICROSCOPY (3.16 Å)
Cite:Structural basis for inhibition of the drug efflux pump NorA from Staphylococcus aureus.
Nat.Chem.Biol., 18, 2022
7LO7
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BU of 7lo7 by Molmil
NorA in complex with Fab25
Descriptor: Fab25 Heavy Chain, Fab25 Light Chain, Quinolone resistance protein NorA
Authors:Brawley, D.N, Sauer, D.B, Song, J.M, Koide, A, Koide, S, Traaseth, N.J, Wang, D.N.
Deposit date:2021-02-09
Release date:2022-04-20
Last modified:2022-07-13
Method:ELECTRON MICROSCOPY (3.74 Å)
Cite:Structural basis for inhibition of the drug efflux pump NorA from Staphylococcus aureus.
Nat.Chem.Biol., 18, 2022
3GXU
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BU of 3gxu by Molmil
Crystal structure of Eph receptor and ephrin complex
Descriptor: Ephrin type-A receptor 4, Ephrin-B2
Authors:Qin, H.N, Song, J.X.
Deposit date:2009-04-03
Release date:2009-10-27
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural characterization of the EphA4-ephrin-B2 complex reveals new features enabling Eph-ephrin binding promiscuity
J.Biol.Chem., 2009
6AGO
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BU of 6ago by Molmil
Crystal structure of MRG15-ASH1L Histone methyltransferase complex
Descriptor: Histone-lysine N-methyltransferase ASH1L, Mortality factor 4 like 1, S-ADENOSYLMETHIONINE, ...
Authors:Lee, Y, Song, J.
Deposit date:2018-08-13
Release date:2019-03-13
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (3.103 Å)
Cite:Structural Basis of MRG15-Mediated Activation of the ASH1L Histone Methyltransferase by Releasing an Autoinhibitory Loop.
Structure, 27, 2019
6WW5
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BU of 6ww5 by Molmil
Structure of VcINDY-Na-Fab84 in nanodisc
Descriptor: 1,2-DIHEXANOYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, DASS family sodium-coupled anion symporter, Fab84 Heavy Chain, ...
Authors:Sauer, D.B, Marden, J, Song, J.M, Koide, A, Koide, S, Wang, D.N.
Deposit date:2020-05-07
Release date:2020-09-16
Method:ELECTRON MICROSCOPY (3.15 Å)
Cite:Structural basis for the reaction cycle of DASS dicarboxylate transporters.
Elife, 9, 2020
5WG3
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BU of 5wg3 by Molmil
Human GRK2 in complex with Gbetagamma subunits and CCG258748
Descriptor: 2-fluoro-5-[(3S,4R)-3-{[(1H-indazol-5-yl)oxy]methyl}piperidin-4-yl]-N-[(1H-pyrazol-3-yl)methyl]benzamide, Beta-adrenergic receptor kinase 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Bouley, R, Tesmer, J.J.G.
Deposit date:2017-07-13
Release date:2017-12-27
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.896 Å)
Cite:Structural Determinants Influencing the Potency and Selectivity of Indazole-Paroxetine Hybrid G Protein-Coupled Receptor Kinase 2 Inhibitors.
Mol. Pharmacol., 92, 2017
4WNK
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BU of 4wnk by Molmil
Crystal Structure of Bovine G Protein Coupled-Receptor Kinase 5 in Complex with CCG215022
Descriptor: (4S)-4-{4-fluoro-3-[(pyridin-2-ylmethyl)carbamoyl]phenyl}-N-(1H-indazol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide, G protein-coupled receptor kinase 5, SULFATE ION
Authors:Homan, K.T, Tesmer, J.J.G.
Deposit date:2014-10-13
Release date:2015-06-10
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Crystal Structure of G Protein-coupled Receptor Kinase 5 in Complex with a Rationally Designed Inhibitor.
J.Biol.Chem., 290, 2015
3CKH
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BU of 3ckh by Molmil
Crystal structure of Eph A4 receptor
Descriptor: Ephrin type-A receptor 4
Authors:Shi, J.H, Song, J.X.
Deposit date:2008-03-15
Release date:2008-09-23
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal Structure and NMR Binding Reveal That Two Small Molecule Antagonists Target the High Affinity Ephrin-binding Channel of the EphA4 Receptor.
J.Biol.Chem., 283, 2008
8ETM
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BU of 8etm by Molmil
Human triacylglycerol synthesizing enzyme DGAT1 in complex with DGAT1IN1 inhibitor
Descriptor: Diacylglycerol O-acyltransferase 1, [(1S,4r)-4-{4-[(4S)-2-({[4-(trifluoromethoxy)phenyl]methyl}carbamoyl)imidazo[1,2-a]pyridin-6-yl]phenyl}cyclohexyl]acetic acid
Authors:Sui, X, Kun, W, Walther, T, Farese, R, Liao, M.
Deposit date:2022-10-17
Release date:2023-06-07
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Mechanism of action for small-molecule inhibitors of triacylglycerol synthesis.
Nat Commun, 14, 2023
8ESM
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BU of 8esm by Molmil
Human triacylglycerol synthesizing enzyme DGAT1 in complex with T863 inhibitor
Descriptor: Diacylglycerol O-acyltransferase 1, {(1r,4r)-4-[4-(4-amino-7,7-dimethyl-7H-pyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexyl}acetic acid
Authors:Sui, X, Kun, W, Walther, T, Farese, R, Liao, M.
Deposit date:2022-10-14
Release date:2023-06-07
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Mechanism of action for small-molecule inhibitors of triacylglycerol synthesis.
Nat Commun, 14, 2023
7T9F
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BU of 7t9f by Molmil
Structure of VcINDY-apo
Descriptor: DASS family sodium-coupled anion symporter
Authors:Sauer, D.B, Marden, J.J, Song, J.M, Wang, D.N.
Deposit date:2021-12-19
Release date:2022-05-25
Last modified:2024-02-28
Method:ELECTRON MICROSCOPY (3.23 Å)
Cite:Structural basis of ion - substrate coupling in the Na + -dependent dicarboxylate transporter VcINDY.
Nat Commun, 13, 2022
7T9G
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BU of 7t9g by Molmil
Structure of VcINDY-Na+
Descriptor: DASS family sodium-coupled anion symporter, SODIUM ION
Authors:Sauer, D.B, Marden, J.J, Song, J.M, Wang, D.N.
Deposit date:2021-12-19
Release date:2022-05-25
Last modified:2024-02-28
Method:ELECTRON MICROSCOPY (2.83 Å)
Cite:Structural basis of ion - substrate coupling in the Na + -dependent dicarboxylate transporter VcINDY.
Nat Commun, 13, 2022
3FHQ
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BU of 3fhq by Molmil
Structure of endo-beta-N-acetylglucosaminidase A
Descriptor: 3AR,5R,6S,7R,7AR-5-HYDROXYMETHYL-2-METHYL-5,6,7,7A-TETRAHYDRO-3AH-PYRANO[3,2-D]THIAZOLE-6,7-DIOL, Endo-beta-N-acetylglucosaminidase, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose
Authors:Jie, Y, Li, L, Shaw, N, Li, Y, Song, J, Zhang, W, Xia, C, Zhang, R, Joachimiak, A, Zhang, H.-C, Wang, L.-X, Wang, P, Liu, Z.-J.
Deposit date:2008-12-10
Release date:2009-05-05
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.452 Å)
Cite:Structural basis and catalytic mechanism for the dual functional endo-beta-N-acetylglucosaminidase A
Plos One, 4, 2009
6WCZ
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BU of 6wcz by Molmil
CryoEM structure of full-length ZIKV NS5-hSTAT2 complex
Descriptor: Non-structural protein 5, Signal transducer and activator of transcription 2, ZINC ION
Authors:Boxiao, W, Stephanie, T, Kang, Z, Maria, T.S, Jian, F, Jiuwei, L, Linfeng, G, Wendan, R, Yanxiang, C, Ethan, C.V, HeaJin, H, Matthew, J.E, Sean, E.O, Adolfo, G.S, Hong, Z, Rong, H, Jikui, S.
Deposit date:2020-03-31
Release date:2020-07-08
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Structural basis for STAT2 suppression by flavivirus NS5.
Nat.Struct.Mol.Biol., 27, 2020
6RMH
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BU of 6rmh by Molmil
The Rigid-body refined model of the normal Huntingtin.
Descriptor: Huntingtin
Authors:Jung, T, Tamo, G, Dal Perraro, M, Hebert, H, Song, J.
Deposit date:2019-05-06
Release date:2020-06-03
Last modified:2020-12-16
Method:ELECTRON MICROSCOPY (9.6 Å)
Cite:The Polyglutamine Expansion at the N-Terminal of Huntingtin Protein Modulates the Dynamic Configuration and Phosphorylation of the C-Terminal HEAT Domain.
Structure, 28, 2020
5KBW
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BU of 5kbw by Molmil
Crystal structure of TmRibU, the riboflavin-binding S subunit from the Thermotoga maritima ECF transporter
Descriptor: RIBOFLAVIN, Riboflavin transporter RibU
Authors:Karpowich, N.K, Wang, D.N, Song, J.M.
Deposit date:2016-06-03
Release date:2016-06-29
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.6093 Å)
Cite:An Aromatic Cap Seals the Substrate Binding Site in an ECF-Type S Subunit for Riboflavin.
J.Mol.Biol., 428, 2016

221051

数据于2024-06-12公开中

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