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8H3T
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BU of 8h3t by Molmil
The crystal structure of AlpH
Descriptor: AlpH, GLYCEROL
Authors:Zhao, Y, Li, M, Jiang, M, Pan, L.F.
Deposit date:2022-10-09
Release date:2023-09-13
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.866 Å)
Cite:O-methyltransferase-like enzyme catalyzed diazo installation in polyketide biosynthesis.
Nat Commun, 14, 2023
6LCV
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BU of 6lcv by Molmil
structure of Mutant S44P of maltooligosyltrehalose synthase from Arthrobacter ramosus
Descriptor: MTSase
Authors:Chen, C, Su, L, Wu, L, Zhou, J, Wu, J.
Deposit date:2019-11-20
Release date:2020-11-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.84 Å)
Cite:structure of Mutant S44P of maltooligosyltrehalose synthase from Arthrobacter ramosus
To Be Published
6LCU
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BU of 6lcu by Molmil
structure of maltooligosyltrehalose synthase from Arthrobacter ramosus
Descriptor: MTSase
Authors:Chen, C, Su, L, Wu, L, Zhou, J, Wu, J.
Deposit date:2019-11-20
Release date:2020-11-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:structure of maltooligosyltrehalose synthase from Arthrobacter ramosus
To Be Published
4OBA
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BU of 4oba by Molmil
Co-crystal structure of MDM2 with Inhibitor Compound 4
Descriptor: E3 ubiquitin-protein ligase Mdm2, [(2R,5R,6R)-4-[(1S)-2-(tert-butylsulfonyl)-1-cyclopropylethyl]-6-(3-chlorophenyl)-5-(4-chlorophenyl)-3-oxomorpholin-2-yl]acetic acid
Authors:Shaffer, P.L, Huang, X, Yakowec, P, Long, A.M.
Deposit date:2014-01-07
Release date:2014-03-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.602 Å)
Cite:Selective and Potent Morpholinone Inhibitors of the MDM2-p53 Protein-Protein Interaction.
J.Med.Chem., 57, 2014
4OCC
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BU of 4occ by Molmil
co-crystal structure of MDM2(17-111) in complex with compound 48
Descriptor: E3 ubiquitin-protein ligase Mdm2, [(2R,5R,6R)-4-[(2S)-1-(tert-butylsulfonyl)butan-2-yl]-6-(3-chlorophenyl)-5-(4-chlorophenyl)-3-oxomorpholin-2-yl]acetic acid
Authors:Huang, X.
Deposit date:2014-01-08
Release date:2014-04-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Novel Inhibitors of the MDM2-p53 Interaction Featuring Hydrogen Bond Acceptors as Carboxylic Acid Isosteres.
J.Med.Chem., 57, 2014
4ODF
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BU of 4odf by Molmil
Co-Crystal Structure of MDM2 with Inhibitor Compound 47
Descriptor: 6-{[(2S,5R,6R)-4-[(1S)-2-(tert-butylsulfonyl)-1-cyclopropylethyl]-6-(3-chlorophenyl)-5-(4-chlorophenyl)-2-methyl-3-oxomorpholin-2-yl]methyl}pyridine-3-carboxylic acid, E3 ubiquitin-protein ligase Mdm2
Authors:Shaffer, P.L, Huang, X, Yakowec, P, Long, A.M.
Deposit date:2014-01-10
Release date:2014-04-02
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.2006 Å)
Cite:Novel Inhibitors of the MDM2-p53 Interaction Featuring Hydrogen Bond Acceptors as Carboxylic Acid Isosteres.
J.Med.Chem., 57, 2014
4QO4
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BU of 4qo4 by Molmil
co-crystal structure of MDM2 (17-111) with compound 16, {(3R,5R,6S)-5-(3-CHLOROPHENYL)-6-(4-CHLOROPHENYL)-1-[(1S)-1-(6-CYCLOPROPYLPYRIDIN-2-YL)PROPYL]-3-METHYL-2-OXOPIPERIDIN-3-YL}ACETIC ACID
Descriptor: E3 ubiquitin-protein ligase Mdm2, {(3R,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-[(1S)-1-(6-cyclopropylpyridin-2-yl)propyl]-3-methyl-2-oxopiperidin-3-yl}acetic acid
Authors:Huang, X.
Deposit date:2014-06-19
Release date:2014-07-16
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Discovery of Potent and Simplified Piperidinone-Based Inhibitors of the MDM2-p53 Interaction.
ACS Med Chem Lett, 5, 2014
8VXC
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BU of 8vxc by Molmil
Structure of HamB-DNA complex, conformation 2, from the Escherichia coli Hachiman defense system
Descriptor: DNA (40-MER), HamB
Authors:Tuck, O.T, Doudna, J.A.
Deposit date:2024-02-04
Release date:2024-03-13
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (2.93 Å)
Cite:Hachiman is a genome integrity sensor.
Biorxiv, 2024
8VX9
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BU of 8vx9 by Molmil
Structure of HamAB apo complex from the Escherichia coli Hachiman defense system
Descriptor: HamA, HamB
Authors:Tuck, O.T, Doudna, J.A.
Deposit date:2024-02-03
Release date:2024-03-13
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (2.65 Å)
Cite:Hachiman is a genome integrity sensor.
Biorxiv, 2024
6WE8
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BU of 6we8 by Molmil
YTH domain of human YTHDC1
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, SULFATE ION, ...
Authors:Horton, J.R, Cheng, X.
Deposit date:2020-04-01
Release date:2020-07-15
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.18 Å)
Cite:Biochemical and structural basis for YTH domain of human YTHDC1 binding to methylated adenine in DNA.
Nucleic Acids Res., 48, 2020
7ETK
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BU of 7etk by Molmil
The complex structure of FtmOx1 bond with fumitremorgen B at 1.22 angstrom
Descriptor: 1,2-ETHANEDIOL, 2-OXOGLUTARIC ACID, FE (II) ION, ...
Authors:Zhou, J.H, Wu, L.
Deposit date:2021-05-13
Release date:2021-12-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.22027433 Å)
Cite:Structural Insight into the Catalytic Mechanism of the Endoperoxide Synthase FtmOx1.
Angew.Chem.Int.Ed.Engl., 61, 2022
7ETL
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BU of 7etl by Molmil
The crystal structure of FtmOx1-Y68F
Descriptor: 1,2-ETHANEDIOL, 2-OXOGLUTARIC ACID, CHLORIDE ION, ...
Authors:Zhou, J.H, Wu, L.
Deposit date:2021-05-13
Release date:2021-12-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.992128 Å)
Cite:Structural Insight into the Catalytic Mechanism of the Endoperoxide Synthase FtmOx1.
Angew.Chem.Int.Ed.Engl., 61, 2022
6WE9
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BU of 6we9 by Molmil
YTH domain of human YTHDC1 with 11mer ssDNA Containing N6mA
Descriptor: 1,2-ETHANEDIOL, DNA (5'-D(*CP*GP*CP*GP*GP*(6MA)P*CP*TP*CP*TP*G)-3'), GLYCEROL, ...
Authors:Horton, J.R, Cheng, X.
Deposit date:2020-04-01
Release date:2020-07-15
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Biochemical and structural basis for YTH domain of human YTHDC1 binding to methylated adenine in DNA.
Nucleic Acids Res., 48, 2020
4QOC
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BU of 4qoc by Molmil
crystal structure of compound 16 bound to MDM2(17-111), {(3R,5R,6S)-5-(3-CHLOROPHENYL)-6-(4-CHLOROPHENYL)-1-[(1S)-1-CYCLOPROPYL-2-(PYRROLIDIN-1-YLSULFONYL)ETHYL]-3-METHYL-2-OXOPIPERIDIN-3-YL}ACETIC ACID
Descriptor: E3 ubiquitin-protein ligase Mdm2, {(3R,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-[(1S)-1-cyclopropyl-2-(pyrrolidin-1-ylsulfonyl)ethyl]-3-methyl-2-oxopiperidin-3-yl}acetic acid
Authors:Huang, X.
Deposit date:2014-06-19
Release date:2015-05-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Optimization beyond AMG 232: discovery and SAR of sulfonamides on a piperidinone scaffold as potent inhibitors of the MDM2-p53 protein-protein interaction.
Bioorg.Med.Chem.Lett., 24, 2014
5YAO
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BU of 5yao by Molmil
The complex structure of SZ529 and expoxid
Descriptor: (1R,5S)-6-oxabicyclo[3.1.0]hexane, Limonene-1,2-epoxide hydrolase, SODIUM ION
Authors:Lian, W, Sun, Z.T, Zhou, J.H, Reetz, M.T.
Deposit date:2017-09-01
Release date:2018-06-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.611 Å)
Cite:Structural and Computational Insight into the Catalytic Mechanism of Limonene Epoxide Hydrolase Mutants in Stereoselective Transformations
J. Am. Chem. Soc., 140, 2018
7M10
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BU of 7m10 by Molmil
PHF2 PHD Domain Complexed with Peptide From N-terminus of VRK1
Descriptor: FORMIC ACID, Lysine-specific demethylase PHF2, Serine/threonine-protein kinase VRK1 N-terminus peptide, ...
Authors:Horton, J.R, Cheng, X.
Deposit date:2021-03-11
Release date:2021-05-26
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Histone H3 N-terminal mimicry drives a novel network of methyl-effector interactions.
Biochem.J., 478, 2021
5H3D
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BU of 5h3d by Molmil
Helical structure of membrane tubules decorated by ACAP1 (BARPH doamin) protein by cryo-electron microscopy and MD simulation
Descriptor: Arf-GAP with coiled-coil, ANK repeat and PH domain-containing protein 1
Authors:Chan, C, Pang, X.Y, Zhang, Y, Sun, F, Fan, J.
Deposit date:2016-10-22
Release date:2019-01-16
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (14 Å)
Cite:ACAP1 assembles into an unusual protein lattice for membrane deformation through multiple stages.
Plos Comput.Biol., 15, 2019
8TLL
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BU of 8tll by Molmil
CDCA7 (Mouse) Binds Non-B-form 26-mer DNA oligo
Descriptor: 1,2-ETHANEDIOL, Cell division cycle-associated protein 7, DNA (26-MER), ...
Authors:Horton, J.R, Ren, R, Cheng, X.
Deposit date:2023-07-26
Release date:2024-08-21
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:The ICF syndrome protein CDCA7 harbors a unique DNA binding domain that recognizes a CpG dyad in the context of a non-B DNA.
Sci Adv, 10, 2024
6WEA
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BU of 6wea by Molmil
YTH domain of human YTHDC1 with a 10mer Oligo Containing N6mA
Descriptor: 1,2-ETHANEDIOL, DNA (5'-D(*CP*GP*CP*GP*GP*(6MA)P*CP*TP*TP*C)-3'), SODIUM ION, ...
Authors:Horton, J.R, Cheng, X.
Deposit date:2020-04-01
Release date:2020-07-15
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Biochemical and structural basis for YTH domain of human YTHDC1 binding to methylated adenine in DNA.
Nucleic Acids Res., 48, 2020
5YNG
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BU of 5yng by Molmil
Crystal structure of SZ348 in complex with cyclopentene oxide
Descriptor: (1R,5S)-6-oxabicyclo[3.1.0]hexane, Limonene-1,2-epoxide hydrolase, NICKEL (II) ION, ...
Authors:Wu, L, Sun, Z.T, Reetz, M.T, Zhou, J.H.
Deposit date:2017-10-24
Release date:2018-06-27
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.497 Å)
Cite:Structural and Computational Insight into the Catalytic Mechanism of Limonene Epoxide Hydrolase Mutants in Stereoselective Transformations.
J. Am. Chem. Soc., 140, 2018
5YQT
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BU of 5yqt by Molmil
Crystal Structure of the L74F/M78V/I80V/L114F mutant of LEH complexed with cyclopentene oxide
Descriptor: (1R,5S)-6-oxabicyclo[3.1.0]hexane, Limonene-1,2-epoxide hydrolase
Authors:Kong, X.D, Sun, Z.T, Wu, L, Reetz, M.T, Zhou, J.H, Xu, J.H.
Deposit date:2017-11-07
Release date:2018-06-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural and Computational Insight into the Catalytic Mechanism of Limonene Epoxide Hydrolase Mutants in Stereoselective Transformations.
J. Am. Chem. Soc., 140, 2018
7LXW
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BU of 7lxw by Molmil
SARS-CoV-2 S/S2M11/S2X333 Local Refinement
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, S2X333 Fab Heavy Chain variable region, S2X333 Fab Light Chain variable region, ...
Authors:McCallum, M, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2021-03-05
Release date:2021-04-14
Last modified:2021-05-12
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:N-terminal domain antigenic mapping reveals a site of vulnerability for SARS-CoV-2.
Cell, 184, 2021
7LY0
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BU of 7ly0 by Molmil
SARS-CoV-2 S/S2M11/S2M28 Local Refinement
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, S2M28 Fab Heavy Chain variable region, S2M28 Fab Light Chain variable region, ...
Authors:McCallum, M, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2021-03-05
Release date:2021-04-14
Last modified:2021-05-12
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:N-terminal domain antigenic mapping reveals a site of vulnerability for SARS-CoV-2.
Cell, 184, 2021
7LXZ
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BU of 7lxz by Molmil
SARS-CoV-2 S/S2M11/S2L28 Global Refinement
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:McCallum, M, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2021-03-05
Release date:2021-04-14
Last modified:2021-05-12
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:N-terminal domain antigenic mapping reveals a site of vulnerability for SARS-CoV-2.
Cell, 184, 2021
7LY2
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BU of 7ly2 by Molmil
SARS-CoV-2 S/S2M11/S2M28 Global Refinement
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, S2M11 Fab Heavy Chain variable region, ...
Authors:McCallum, M, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2021-03-05
Release date:2021-04-14
Last modified:2021-05-12
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:N-terminal domain antigenic mapping reveals a site of vulnerability for SARS-CoV-2.
Cell, 184, 2021

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数据于2024-10-16公开中

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