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6ATI
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BU of 6ati by Molmil
HLA-DRB1*1402 in complex with Vimentin-64Cit59-71
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, HLA class II histocompatibility antigen, DR alpha chain, ...
Authors:Scally, S.W, Ting, Y.T, Rossjohn, J.
Deposit date:2017-08-29
Release date:2017-09-13
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Molecular basis for increased susceptibility of Indigenous North Americans to seropositive rheumatoid arthritis.
Ann. Rheum. Dis., 76, 2017
6BR9
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BU of 6br9 by Molmil
Structure of A6 reveals a novel lipid transporter
Descriptor: (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, Protein A6 homolog, [(2~{R})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-hexadecanoyloxy-propan-2-yl] (~{Z})-octadec-9-enoate
Authors:Deng, J, Peng, S, Pathak, P.
Deposit date:2017-11-30
Release date:2018-06-20
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of a lipid-bound viral membrane assembly protein reveals a modality for enclosing the lipid bilayer.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6CB7
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BU of 6cb7 by Molmil
CRYSTAL STRUCTURE OF VACCINIA VIRUS A6 N-TERMINUS (SPACE GROUP C2)
Descriptor: NICKEL (II) ION, Protein A6
Authors:Han, Y, Zhang, B, Deng, J.
Deposit date:2018-02-02
Release date:2018-12-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure of a lipid-bound viral membrane assembly protein reveals a modality for enclosing the lipid bilayer.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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:2024-07-03
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
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.71 Å)
Cite:Structural insights into human CCAN complex assembled onto DNA.
Cell Discov, 8, 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
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
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.52 Å)
Cite:The structural basis of function and regulation of neuronal cotransporters NKCC1 and KCC2.
Commun Biol, 4, 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
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:The structural basis of function and regulation of neuronal cotransporters NKCC1 and KCC2.
Commun Biol, 4, 2021
7Y5N
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BU of 7y5n by Molmil
Structure of 1:1 PAPP-A.ProMBP complex(half map)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Bone marrow proteoglycan, ...
Authors:Zhong, Q.H, Chu, H.L, Wang, G.P, Zhang, C, Wei, Y, Qiao, J, Hang, J.
Deposit date:2022-06-17
Release date:2023-01-11
Method:ELECTRON MICROSCOPY (3.45 Å)
Cite:Structural insights into the covalent regulation of PAPP-A activity by proMBP and STC2.
Cell Discov, 8, 2022
7Y5Q
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BU of 7y5q by Molmil
Structure of 1:1 PAPP-A.STC2 complex(half map)
Descriptor: Maltose/maltodextrin-binding periplasmic protein,Pappalysin-1, Stanniocalcin-2, ZINC ION
Authors:Zhong, Q.H, Chu, H.L, Wang, G.P, Zhang, C, Wei, Y, Qiao, J, Hang, J.
Deposit date:2022-06-17
Release date:2023-01-11
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Structural insights into the covalent regulation of PAPP-A activity by proMBP and STC2.
Cell Discov, 8, 2022
8Z5J
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BU of 8z5j by Molmil
Beta-catenin Crystal Structure
Descriptor: Catenin beta-1
Authors:Tim, F.
Deposit date:2024-04-18
Release date:2024-05-22
Last modified:2024-07-24
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Discovery of Novel 1-Phenylpiperidine Urea-Containing Derivatives Inhibiting beta-Catenin/BCL9 Interaction and Exerting Antitumor Efficacy through the Activation of Antigen Presentation of cDC1 Cells.
J.Med.Chem., 2024
8Z61
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BU of 8z61 by Molmil
Human beta-catenin crystal structure
Descriptor: Catenin beta-1
Authors:Tim, F.
Deposit date:2024-04-18
Release date:2024-05-08
Last modified:2024-07-24
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Discovery of Novel 1-Phenylpiperidine Urea-Containing Derivatives Inhibiting beta-Catenin/BCL9 Interaction and Exerting Antitumor Efficacy through the Activation of Antigen Presentation of cDC1 Cells.
J.Med.Chem., 2024
7W96
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BU of 7w96 by Molmil
Solution structures of a disulfide-rich peptide that can bind KEAP1
Descriptor: drp6
Authors:Fan, S.H, Wu, Y.P, Wu, C.L.
Deposit date:2021-12-09
Release date:2022-11-09
Method:SOLUTION NMR
Cite:Structure-guided design of CPPC-paired disulfide-rich peptide libraries for ligand and drug discovery.
Chem Sci, 13, 2022
7WE3
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BU of 7we3 by Molmil
Solution structures of a disulfide-rich peptide that can bind CD28
Descriptor: DRP8II
Authors:Fan, S.H, Wu, Y.P, Wu, C.L.
Deposit date:2021-12-22
Release date:2022-11-09
Method:SOLUTION NMR
Cite:Structure-guided design of CPPC-paired disulfide-rich peptide libraries for ligand and drug discovery.
Chem Sci, 13, 2022
7WEI
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BU of 7wei by Molmil
Solution structures of a disulfide-rich peptide that can bind CD28
Descriptor: drp8I
Authors:Fan, S.H, Wu, Y.P, Wu, C.L.
Deposit date:2021-12-23
Release date:2022-11-09
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
7W8T
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BU of 7w8t by Molmil
Solution structures of a disulfide-rich peptide that can bind KEAP1
Descriptor: DRP3
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
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
7YPN
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BU of 7ypn by Molmil
Crystal structure of transaminase CC1012 mutant M9 complexed with PLP
Descriptor: 1,2-ETHANEDIOL, Aspartate aminotransferase family protein, DI(HYDROXYETHYL)ETHER, ...
Authors:Yang, L, Wang, H, Wei, D.
Deposit date:2022-08-03
Release date:2023-05-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.049 Å)
Cite:Mechanism-Guided Computational Design of omega-Transaminase by Reprograming of High-Energy-Barrier Steps.
Angew.Chem.Int.Ed.Engl., 61, 2022
7YPM
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BU of 7ypm by Molmil
Crystal structure of transaminase CC1012 complexed with PLP and L-alanine
Descriptor: 1,2-ETHANEDIOL, ALANINE, Aspartate aminotransferase family protein, ...
Authors:Yang, L, Wang, H, Wei, D.
Deposit date:2022-08-03
Release date:2023-05-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.984 Å)
Cite:Mechanism-Guided Computational Design of omega-Transaminase by Reprograming of High-Energy-Barrier Steps.
Angew.Chem.Int.Ed.Engl., 61, 2022
7W8R
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BU of 7w8r by Molmil
Solution structures of a disulfide-rich peptide that can bind mdm2
Descriptor: drp2-b
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
8GDA
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BU of 8gda by Molmil
Cryo-EM Structure of the Prostaglandin E2 Receptor 4 Coupled to G Protein
Descriptor: (2S,5R)-5-[(1E,3S)-4,4-difluoro-3-hydroxy-4-phenylbut-1-en-1-yl]-1-[6-(1H-tetrazol-5-yl)hexyl]pyrrolidin-2-ol, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ...
Authors:Shenming, H, Mengyao, X, Lei, L, Jiangqian, M, Sheng, C, Jinpeng, S.
Deposit date:2023-03-03
Release date:2024-01-10
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Single hormone or synthetic agonist induces G s /G i coupling selectivity of EP receptors via distinct binding modes and propagating paths.
Proc.Natl.Acad.Sci.USA, 120, 2023

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