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4O1B
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BU of 4o1b by Molmil
The crystal structure of a mutant NAMPT (G217R) in complex with an inhibitor APO866
Descriptor: (2E)-N-{4-[1-(benzenecarbonyl)piperidin-4-yl]butyl}-3-(pyridin-3-yl)prop-2-enamide, 1,2-ETHANEDIOL, Nicotinamide phosphoribosyltransferase, ...
Authors:Oh, A, Coons, M, Brillantes, B, Wang, W.
Deposit date:2013-12-15
Release date:2014-10-22
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural Basis for Resistance to Diverse Classes of NAMPT Inhibitors.
Plos One, 9, 2014
4O1D
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BU of 4o1d by Molmil
Structural Basis for Resistance to Diverse Classes of NAMPT Inhibitors
Descriptor: (2E)-N-{4-[1-(benzenecarbonyl)piperidin-4-yl]butyl}-3-(pyridin-3-yl)prop-2-enamide, 1,2-ETHANEDIOL, Nicotinamide phosphoribosyltransferase, ...
Authors:Oh, A, Coons, M, Brillantes, B, Wang, W.
Deposit date:2013-12-15
Release date:2014-10-22
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.705 Å)
Cite:Structural Basis for Resistance to Diverse Classes of NAMPT Inhibitors.
Plos One, 9, 2014
5WOP
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BU of 5wop by Molmil
High Resolution Structure of Mutant CA09-PB2cap
Descriptor: GLYCEROL, Polymerase PB2
Authors:Constantinides, A.E, Gumpper, R.H, Severin, C, Luo, M.
Deposit date:2017-08-02
Release date:2017-12-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:High-resolution structure of the Influenza A virus PB2cap binding domain illuminates the changes induced by ligand binding.
Acta Crystallogr F Struct Biol Commun, 74, 2018
6KDR
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BU of 6kdr by Molmil
Crystal structure of human NRMT2 in complex with human centromere protein B peptide
Descriptor: Alpha N-terminal protein methyltransferase 1B, CHLORIDE ION, GLYCEROL, ...
Authors:Yue, Y, Li, H.
Deposit date:2019-07-02
Release date:2020-07-08
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.112 Å)
Cite:Substrate-enzyme engagement regulates state-specific alpha-N methylation of NRMT2
to be published
6KDS
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BU of 6kds by Molmil
Crystal structure of human NRMT2 in complex with alpha-N-monomethylated human CENP-A peptide
Descriptor: Alpha N-terminal protein methyltransferase 1B, CENP-A peptide, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Yue, Y, Li, H.
Deposit date:2019-07-02
Release date:2020-07-08
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.844 Å)
Cite:Substrate engagement regulates state-specific alpha-N methylation of CENP-A by NRMT2
To be published
6KDQ
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BU of 6kdq by Molmil
Crystal structure of human NRMT1 in complex with alpha-N-monomethylated human CENP-A peptide
Descriptor: CENP-A peptide, N-terminal Xaa-Pro-Lys N-methyltransferase 1, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Yue, Y, Li, H.
Deposit date:2019-07-02
Release date:2020-07-08
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.499 Å)
Cite:Substrate engagement regulates state-specific alpha-N methylation of CENP-A by NRMT2
to be published
6LJM
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BU of 6ljm by Molmil
Crystal structure of human Sirt5 in complex with the fluorogenic tetrapeptide substrate P13
Descriptor: 7-AMINO-4-METHYL-CHROMEN-2-ONE, ACE-SER-LEU-GLY-SLL, NAD-dependent protein deacylase sirtuin-5, ...
Authors:Chen, Q, Yu, Y.
Deposit date:2019-12-17
Release date:2020-10-28
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Sensitive fluorogenic substrates for sirtuin deacylase inhibitor discovery.
Eur.J.Med.Chem., 192, 2020
6LJN
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BU of 6ljn by Molmil
Crystal structure of human Sirt5 in complex with the fluorogenic tetrapeptide substrate P15
Descriptor: 7-AMINO-4-METHYL-CHROMEN-2-ONE, ACE-HIS-PHE-SER-SLL, NAD-dependent protein deacylase sirtuin-5, ...
Authors:Chen, Q, Yu, Y.
Deposit date:2019-12-17
Release date:2020-10-28
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Sensitive fluorogenic substrates for sirtuin deacylase inhibitor discovery.
Eur.J.Med.Chem., 192, 2020
6LJK
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BU of 6ljk by Molmil
Crystal structure of human Sirt5 in complex with an internally quenched fluorescent substrate GluIQF
Descriptor: BE2-SER-ALA-ILE-LYS-SER-NIY-GLY-SET, GLUTARIC ACID, NAD-dependent protein deacylase sirtuin-5, ...
Authors:Chen, Q, Yu, Y.
Deposit date:2019-12-17
Release date:2020-12-23
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.394 Å)
Cite:Sensitive fluorogenic substrates for sirtuin deacylase inhibitor discovery.
Eur.J.Med.Chem., 192, 2020
8HN9
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BU of 8hn9 by Molmil
Human SIRT3 Recognizing CCNE2K348la peptide
Descriptor: CCNE2 peptide, IMIDAZOLE, NAD-dependent protein deacetylase sirtuin-3, ...
Authors:Wang, Y, Ding, W.
Deposit date:2022-12-07
Release date:2023-05-10
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3.7 Å)
Cite:SIRT3-dependent delactylation of cyclin E2 prevents hepatocellular carcinoma growth.
Embo Rep., 24, 2023
7Y73
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BU of 7y73 by Molmil
Crystal structure of sDscam Ig1 domain, isoform beta3v7
Descriptor: Down Syndrome Cell Adhesion Molecules, GLYCEROL
Authors:Chen, Q, Yu, Y, Cheng, J.
Deposit date:2022-06-21
Release date:2023-05-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.32 Å)
Cite:Structural basis for the self-recognition of sDSCAM in Chelicerata.
Nat Commun, 14, 2023
7Y8I
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BU of 7y8i by Molmil
Crystal structure of sDscam FNIII3 domain, isoform alpha7
Descriptor: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, Dscam, ...
Authors:Chen, Q, Yu, Y, Cheng, J.
Deposit date:2022-06-24
Release date:2023-05-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural basis for the self-recognition of sDSCAM in Chelicerata.
Nat Commun, 14, 2023
7Y9A
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BU of 7y9a by Molmil
Crystal structure of sDscam Ig1-2 domains, isoform beta2v6
Descriptor: Down Syndrome Cell Adhesion Molecules, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-3)][beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Chen, Q, Yu, Y, Cheng, J.
Deposit date:2022-06-24
Release date:2023-05-24
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Structural basis for the self-recognition of sDSCAM in Chelicerata.
Nat Commun, 14, 2023
7Y6O
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BU of 7y6o by Molmil
Crystal structure of sDscam Ig1-3 domains, isoform alpha25
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Down Syndrome Cell Adhesion Molecules
Authors:Chen, Q, Yu, Y, Cheng, J.
Deposit date:2022-06-21
Release date:2023-05-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.102 Å)
Cite:Structural basis for the self-recognition of sDSCAM in Chelicerata.
Nat Commun, 14, 2023
7Y4X
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BU of 7y4x by Molmil
Crystal structure of sDscam Ig1 domain, isoform alpha7
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Down syndrome cell adhesion molecule
Authors:Chen, Q, Yu, Y, Cheng, J.
Deposit date:2022-06-16
Release date:2023-05-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.952 Å)
Cite:Structural basis for the self-recognition of sDSCAM in Chelicerata.
Nat Commun, 14, 2023
7Y5J
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BU of 7y5j by Molmil
Crystal structure of sDscam Ig1 domain, isoform alpha1v7
Descriptor: Down Syndrome Cell Adhesion Molecules
Authors:Chen, Q, Yu, Y, Cheng, J.
Deposit date:2022-06-17
Release date:2023-05-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural basis for the self-recognition of sDSCAM in Chelicerata.
Nat Commun, 14, 2023
7Y8S
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BU of 7y8s by Molmil
Crystal structure of sDscam FNIII1-3 domains, isoform beta2v6
Descriptor: Dscam, SODIUM ION
Authors:Chen, Q, Yu, Y, Cheng, J.
Deposit date:2022-06-24
Release date:2023-05-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.696 Å)
Cite:Structural basis for the self-recognition of sDSCAM in Chelicerata.
Nat Commun, 14, 2023
7Y95
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BU of 7y95 by Molmil
Crystal structure of sDscam Ig1 domain, isoform beta6v2
Descriptor: Dscam, GLYCEROL, SODIUM ION
Authors:Chen, Q, Yu, Y, Cheng, J.
Deposit date:2022-06-24
Release date:2023-05-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structural basis for the self-recognition of sDSCAM in Chelicerata.
Nat Commun, 14, 2023
7Y54
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BU of 7y54 by Molmil
Crystal structure of sDscam Ig1 domain, isoform alpha1
Descriptor: Down Syndrome Cell Adhesion Molecules
Authors:Chen, Q, Yu, Y, Cheng, J.
Deposit date:2022-06-16
Release date:2023-05-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.787 Å)
Cite:Structural basis for the self-recognition of sDSCAM in Chelicerata.
Nat Commun, 14, 2023
7Y5R
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BU of 7y5r by Molmil
Crystal structure of sDscam FNIII2 domain, isoform alpha7
Descriptor: Down Syndrome Cell Adhesion Molecules, GLYCEROL
Authors:Chen, Q, Yu, Y, Cheng, J.
Deposit date:2022-06-17
Release date:2023-05-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.562 Å)
Cite:Structural basis for the self-recognition of sDSCAM in Chelicerata.
Nat Commun, 14, 2023
7Y6E
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BU of 7y6e by Molmil
Crystal structure of sDscam FNIII23 domains, isoform Beta2v6
Descriptor: Dscam
Authors:Chen, Q, Yu, Y, Cheng, J.
Deposit date:2022-06-20
Release date:2023-05-24
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (3.034 Å)
Cite:Structural basis for the self-recognition of sDSCAM in Chelicerata.
Nat Commun, 14, 2023
7Y8H
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BU of 7y8h by Molmil
Crystal structure of sDscam FNIII1 domain, isoform alpha7
Descriptor: Down Syndrome Cell Adhesion Molecules, SULFATE ION
Authors:Chen, Q, Yu, Y, Cheng, J.
Deposit date:2022-06-23
Release date:2023-05-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural basis for the self-recognition of sDSCAM in Chelicerata.
Nat Commun, 14, 2023
7FAQ
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BU of 7faq by Molmil
Crystal structure of PDE5A in complex with inhibitor L1
Descriptor: 2-[(4-chlorophenyl)methyl]-5-methoxy-3,10-diazatricyclo[6.4.1.0^{4,13}]trideca-1,4(13),5,7-tetraen-9-one, MAGNESIUM ION, SULFATE ION, ...
Authors:Wu, D, Huang, Y.Y, Luo, H.B.
Deposit date:2021-07-07
Release date:2022-05-18
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.200136 Å)
Cite:Free energy perturbation (FEP)-guided scaffold hopping.
Acta Pharm Sin B, 12, 2022
7FAR
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BU of 7far by Molmil
Crystal structure of PDE5A in complex with inhibitor L12
Descriptor: 5-[bis(fluoranyl)methoxy]-2-[(4-chlorophenyl)methyl]-10-(3-methoxypropyl)-3,10-diazatricyclo[6.4.1.0^{4,13}]trideca-1,4(13),5,7-tetraen-9-one, MAGNESIUM ION, ZINC ION, ...
Authors:Wu, D, Huang, Y.Y, Luo, H.B.
Deposit date:2021-07-07
Release date:2022-05-18
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.40006471 Å)
Cite:Free energy perturbation (FEP)-guided scaffold hopping.
Acta Pharm Sin B, 12, 2022
7VS2
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BU of 7vs2 by Molmil
secreted fungal effector protein MoErs1
Descriptor: MoErs1
Authors:Wang, F.F, Xing, W.M.
Deposit date:2021-10-25
Release date:2023-08-02
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Targeting Magnaporthe oryzae effector MoErs1 and host papain-like protease OsRD21 interaction to combat rice blast.
Nat.Plants, 2024

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数据于2024-05-29公开中

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