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7FB8
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BU of 7fb8 by Molmil
De Novo-Designed and Disulfide-Bridged Peptide Heterodimer - hd1
Descriptor: ASP-ASP-LYS-ASP-CYS-ASP-GLU-TYR-CYS-LYS-LYS-THR-LYS-GLU-NH2, GLU-LE1-THR-GLY-HIS-ILE-GLU-GLY-PRO-THR-LE1-THR-LE1-HIS-CYS-LYS-NH2
Authors:Yao, H, Yao, S, Zheng, Y, Moyer, A, Baker, D, Wu, C.
Deposit date:2021-07-08
Release date:2022-05-18
Last modified:2023-11-15
Method:SOLUTION NMR
Cite:De novo design and directed folding of disulfide-bridged peptide heterodimers.
Nat Commun, 13, 2022
7KSP
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BU of 7ksp by Molmil
Crystal structure of hSAMD9_DBD with DNA
Descriptor: DNA, Sterile alpha motif domain-containing protein 9
Authors:Peng, S, Pathak, P, Xiang, Y, Deng, J.
Deposit date:2020-11-23
Release date:2022-01-05
Last modified:2022-04-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure and function of an effector domain in antiviral factors and tumor suppressors SAMD9 and SAMD9L.
Proc.Natl.Acad.Sci.USA, 119, 2022
7LYI
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BU of 7lyi by Molmil
Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor UAWJ9-36-3
Descriptor: 3C-like proteinase, GLYCEROL, SODIUM ION, ...
Authors:Sacco, M, Wang, J, Chen, Y.
Deposit date:2021-03-07
Release date:2021-03-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Rational Design of Hybrid SARS-CoV-2 Main Protease Inhibitors Guided by the Superimposed Cocrystal Structures with the Peptidomimetic Inhibitors GC-376, Telaprevir, and Boceprevir.
Acs Pharmacol Transl Sci, 4, 2021
7LYH
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BU of 7lyh by Molmil
Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor UAWJ9-36-1
Descriptor: 3C-like proteinase, GLYCEROL, benzyl (1S,3aR,6aS)-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}carbamoyl)hexahydrocyclopenta[c]pyrrole-2(1H)-carboxylate
Authors:Sacco, M, Wang, J, Chen, Y.
Deposit date:2021-03-07
Release date:2021-03-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Rational Design of Hybrid SARS-CoV-2 Main Protease Inhibitors Guided by the Superimposed Cocrystal Structures with the Peptidomimetic Inhibitors GC-376, Telaprevir, and Boceprevir.
Acs Pharmacol Transl Sci, 4, 2021
4LU5
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BU of 4lu5 by Molmil
Structure of murine IgG2a A20G2-Fab in complex with vaccinia antigen A33R at the resolution of 2.9 Angstroms
Descriptor: A33R, Murine IgG2a A20G2 Heavy chain Fab domain, Murine IgG2a A20G2 Light chain Fab domain
Authors:Matho, M.H, Schlossman, A.M, Zajonc, D.M.
Deposit date:2013-07-24
Release date:2014-07-30
Last modified:2015-09-23
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural and Functional Characterization of Anti-A33 Antibodies Reveal a Potent Cross-Species Orthopoxviruses Neutralizer.
Plos Pathog., 11, 2015
4M1G
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BU of 4m1g by Molmil
Structure of murine IgG2a A27D7-Fab in complex with vaccinia antigen A33R at the resolution of 1.6 Angstroms
Descriptor: A33R, Murine IgG2a A27D7 Heavy chain Fab domain, Murine IgG2a A27D7 Light chain Fab domain, ...
Authors:Matho, M.H, Schlossman, A.M, Zajonc, D.M.
Deposit date:2013-08-02
Release date:2014-08-06
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural and Functional Characterization of Anti-A33 Antibodies Reveal a Potent Cross-Species Orthopoxviruses Neutralizer.
Plos Pathog., 11, 2015
4LQF
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BU of 4lqf by Molmil
Structure of murine IgG2b A2C7-Fab in complex with vaccinia antigen A33R at the resolution of 2.3 Angstroms
Descriptor: A33R, Murine IgG2b A2C7 Heavy chain Fab domain, Murine IgG2b A2C7 Light chain Fab domain, ...
Authors:Matho, M.H, Schlossman, A.M, Zajonc, D.M.
Deposit date:2013-07-17
Release date:2014-08-06
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural and Functional Characterization of Anti-A33 Antibodies Reveal a Potent Cross-Species Orthopoxviruses Neutralizer.
Plos Pathog., 11, 2015
6J0W
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BU of 6j0w by Molmil
Crystal Structure of Yeast Rtt107 and Nse6
Descriptor: Peptide from DNA repair protein KRE29, Regulator of Ty1 transposition protein 107
Authors:Wan, B, Wu, J, Lei, M.
Deposit date:2018-12-27
Release date:2019-08-14
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Molecular Basis for Control of Diverse Genome Stability Factors by the Multi-BRCT Scaffold Rtt107.
Mol.Cell, 75, 2019
6J0V
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BU of 6j0v by Molmil
Crystal Structure of Yeast Rtt107
Descriptor: Regulator of Ty1 transposition protein 107
Authors:Wan, B, Wu, J, Lei, M.
Deposit date:2018-12-27
Release date:2019-08-14
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.314 Å)
Cite:Molecular Basis for Control of Diverse Genome Stability Factors by the Multi-BRCT Scaffold Rtt107.
Mol.Cell, 75, 2019
6J0Y
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BU of 6j0y by Molmil
Crystal Structure of Yeast Rtt107 and Slx4
Descriptor: Peptide from Structure-specific endonuclease subunit SLX4, Regulator of Ty1 transposition protein 107
Authors:Wan, B, Wu, J, Lei, M.
Deposit date:2018-12-27
Release date:2019-08-14
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Molecular Basis for Control of Diverse Genome Stability Factors by the Multi-BRCT Scaffold Rtt107.
Mol.Cell, 75, 2019
6J0X
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BU of 6j0x by Molmil
Crystal Structure of Yeast Rtt107 and Mms22
Descriptor: Peptide from E3 ubiquitin-protein ligase substrate receptor MMS22, Regulator of Ty1 transposition protein 107
Authors:Wan, B, Wu, J, Lei, M.
Deposit date:2018-12-27
Release date:2019-08-14
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Molecular Basis for Control of Diverse Genome Stability Factors by the Multi-BRCT Scaffold Rtt107.
Mol.Cell, 75, 2019
7XHO
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BU of 7xho by Molmil
Structure of human inner kinetochore CCAN complex
Descriptor: CENP-W, Centromere protein C, Centromere protein H, ...
Authors:Tian, T, Wang, C.L, Yang, Z.S, Sun, L.F, Zang, J.Y.
Deposit date:2022-04-09
Release date:2022-12-14
Last modified:2023-01-25
Method:ELECTRON MICROSCOPY (3.29 Å)
Cite:Structural insights into human CCAN complex assembled onto DNA.
Cell Discov, 8, 2022
7XHN
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BU of 7xhn by Molmil
Structure of human inner kinetochore CCAN-DNA complex
Descriptor: CENP-W, Centromere protein C, Centromere protein H, ...
Authors:Sun, L.F, Tian, T, Wang, C.L, Yang, Z.S, Zang, J.Y.
Deposit date:2022-04-09
Release date:2023-01-25
Method:ELECTRON MICROSCOPY (3.71 Å)
Cite:Structural insights into human CCAN complex assembled onto DNA.
Cell Discov, 8, 2022
7VV8
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BU of 7vv8 by Molmil
Crystal Structure of HRasQ61L(GMPPNP-bound) in complex with the Ras-binding domain(RBD) of SIN1
Descriptor: GTPase HRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
Authors:Zheng, Y.Y, Zhou, C.
Deposit date:2021-11-04
Release date:2022-05-18
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural insights into Ras regulation by SIN1.
Proc.Natl.Acad.Sci.USA, 119, 2022
7VV9
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BU of 7vv9 by Molmil
Crystal Structure of HRas(GMPPNP-bound) in complex with the Ras-binding domain(RBD) of SIN1
Descriptor: GTPase HRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
Authors:Zheng, Y.Y, Zhou, C.
Deposit date:2021-11-05
Release date:2022-05-18
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural insights into Ras regulation by SIN1.
Proc.Natl.Acad.Sci.USA, 119, 2022
7VVG
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BU of 7vvg by Molmil
Crystal Structure of HRasG12V(GMPPNP-bound) in complex with the Ras-binding domain(RBD) of SIN1
Descriptor: GTPase HRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
Authors:Zheng, Y.Y, Zhou, C.
Deposit date:2021-11-06
Release date:2022-05-18
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural insights into Ras regulation by SIN1.
Proc.Natl.Acad.Sci.USA, 119, 2022
7VVB
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BU of 7vvb by Molmil
Crystal Structure of KRas4A(GMPPNP-bound) in complex with the Ras-binding domain(RBD) of SIN1
Descriptor: GTPase KRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
Authors:Zheng, Y.Y, Zhou, C.
Deposit date:2021-11-05
Release date:2022-05-18
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural insights into Ras regulation by SIN1.
Proc.Natl.Acad.Sci.USA, 119, 2022
7W8K
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BU of 7w8k by Molmil
Solution structures of a disulfide-rich peptide that can bind mdm2
Descriptor: drp1
Authors:Fan, S.H, Wu, Y.P, Wu, C.L.
Deposit date:2021-12-08
Release date:2022-06-08
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Structure-guided design of CPPC-paired disulfide-rich peptide libraries for ligand and drug discovery.
Chem Sci, 13, 2022
7W8O
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BU of 7w8o by Molmil
Solution structures of a disulfide-rich peptide that can bind mdm2
Descriptor: drp2-a
Authors:Fan, S.H, Wu, Y.P, Wu, C.L.
Deposit date:2021-12-08
Release date:2022-06-08
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Structure-guided design of CPPC-paired disulfide-rich peptide libraries for ligand and drug discovery.
Chem Sci, 13, 2022
7W8Z
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BU of 7w8z by Molmil
Solution structures of a disulfide-rich peptide designed through sequence grafting
Descriptor: drp4
Authors:Fan, S.H, Wu, Y.P, Wu, C.L.
Deposit date:2021-12-09
Release date:2022-06-08
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Structure-guided design of CPPC-paired disulfide-rich peptide libraries for ligand and drug discovery.
Chem Sci, 13, 2022
7BAJ
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BU of 7baj by Molmil
Crystal structure of ligand-free SARS-CoV-2 main protease
Descriptor: Main Protease
Authors:Amporndanai, K, O'Neill, P.M, Hasnain, S.S.
Deposit date:2020-12-15
Release date:2021-06-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Inhibition mechanism of SARS-CoV-2 main protease by ebselen and its derivatives.
Nat Commun, 12, 2021
7BAK
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BU of 7bak by Molmil
Crystal structure of SARS-CoV-2 main protease treated with ebselen
Descriptor: Main Protease, SELENIUM ATOM
Authors:Amporndanai, K, O'Neill, P.M, Hasnain, S.S.
Deposit date:2020-12-15
Release date:2021-06-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Inhibition mechanism of SARS-CoV-2 main protease by ebselen and its derivatives.
Nat Commun, 12, 2021
7BAL
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BU of 7bal by Molmil
Crystal structure of SARS-CoV-2 main protease treated with ebselen derivative of MR6-31-2
Descriptor: Main Protease, SELENIUM ATOM
Authors:Amporndanai, K, O'Neill, P.M, Hasnain, S.S.
Deposit date:2020-12-15
Release date:2021-06-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Inhibition mechanism of SARS-CoV-2 main protease by ebselen and its derivatives.
Nat Commun, 12, 2021
7D14
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BU of 7d14 by Molmil
Mouse KCC2
Descriptor: Solute carrier family 12 member 5
Authors:Zhang, S, Yang, M.
Deposit date:2020-09-13
Release date:2021-04-14
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:The structural basis of function and regulation of neuronal cotransporters NKCC1 and KCC2.
Commun Biol, 4, 2021
7D10
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BU of 7d10 by Molmil
Human NKCC1
Descriptor: PALMITIC ACID, Solute carrier family 12 member 2
Authors:Zhang, S, Yang, M.
Deposit date:2020-09-12
Release date:2021-04-14
Method:ELECTRON MICROSCOPY (3.52 Å)
Cite:The structural basis of function and regulation of neuronal cotransporters NKCC1 and KCC2.
Commun Biol, 4, 2021

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