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9IL3
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BU of 9il3 by Molmil
Crystal structure of human malectin in complex with glucose
Descriptor: 1,4-DIETHYLENE DIOXIDE, Malectin, SULFATE ION, ...
Authors:Si, Y.L.
Deposit date:2024-06-29
Release date:2025-07-02
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:The Structural Basis of Human Malectin Recognition of Ligands
To Be Published
9IL4
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BU of 9il4 by Molmil
Structure and iron-transporting mechanism of BOCT1
Descriptor: FE (II) ION, Solute carrier family 22 (organic cation transporter), member 17
Authors:Chen, J, Chen, L.
Deposit date:2024-06-29
Release date:2025-07-02
Method:ELECTRON MICROSCOPY (3.33 Å)
Cite:Structure and iron-transporting mechanism of BOCT1
to be published
9IL7
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BU of 9il7 by Molmil
Crystal Structure of SME E166A in Complex with Ceftaroline Fosamil
Descriptor: (2~{R})-2-[(1~{R})-1-[[(2~{Z})-2-ethoxyimino-2-[5-(phosphonoamino)-1,2,4-thiadiazol-3-yl]ethanoyl]amino]-2-oxidanylidene-ethyl]-5-[[4-(1-methylpyridin-4-yl)-1,3-thiazol-2-yl]sulfanyl]-3,6-dihydro-2~{H}-1,3-thiazine-4-carboxylic acid, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Dhankhar, K, Hazra, S.
Deposit date:2024-06-29
Release date:2025-07-02
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal Structure of SME E166A in Complex with Ceftaroline Fosamil
To Be Published
9IL8
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BU of 9il8 by Molmil
Crystal Structure of SME-1 Class A Carbapenemase in complex with Durlobactam
Descriptor: (2S,5R)-1-formyl-3-methyl-5-[(sulfooxy)amino]-1,2,5,6-tetrahydropyridine-2-carboxamide, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Dhankhar, K, Hazra, S.
Deposit date:2024-06-29
Release date:2025-07-02
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structure of SME-1 Class A Carbapenemase in complex with Durlobactam
To Be Published
9IL9
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BU of 9il9 by Molmil
Crystal Structure of SME-1 carbapenemase in complex with Avibactam.
Descriptor: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, 1,2-ETHANEDIOL, CHLORIDE ION, ...
Authors:Dhankhar, K, Hazra, S.
Deposit date:2024-06-29
Release date:2025-07-02
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Crystal Structure of SME-1 carbapenemase in complex with Avibactam.
To Be Published
9ILA
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BU of 9ila by Molmil
Crystal structure of human malectin in complex with maltose
Descriptor: 1,4-DIETHYLENE DIOXIDE, Malectin, SULFATE ION, ...
Authors:Si, Y.L.
Deposit date:2024-06-29
Release date:2025-07-02
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:The Structural Basis of Human Malectin Recognition of Ligands
To Be Published
9ILE
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BU of 9ile by Molmil
Crystal Structure of SME-1 Carbapenemase in Complex with Relebactam
Descriptor: (2S,5R)-1-formyl-N-(piperidin-4-yl)-5-[(sulfooxy)amino]piperidine-2-carboxamide, 1,2-ETHANEDIOL, CHLORIDE ION, ...
Authors:Dhankhar, K, Hazra, S.
Deposit date:2024-06-29
Release date:2025-07-02
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Crystal Structure of SME-1 Carbapenemase in Complex with Relebactam
To Be Published
9ILF
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BU of 9ilf by Molmil
Crystal structure of human malectin in complex with nigerose.
Descriptor: 1,4-DIETHYLENE DIOXIDE, Malectin, SULFATE ION, ...
Authors:Si, Y.L.
Deposit date:2024-06-29
Release date:2025-07-02
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:The Structural Basis of Human Malectin Recognition of Ligands
To Be Published
9IVT
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BU of 9ivt by Molmil
Crystal structure of Ang1 receptor-binding domain
Descriptor: Angiopoietin-1
Authors:Wang, R, Huang, M.D, Jiang, L.G.
Deposit date:2024-07-24
Release date:2025-07-02
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Development of a recombinant Ang1 variant with enhanced Tie2 binding and its application to attenuate sepsis in mice.
Sci Adv, 11, 2025
9IVU
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BU of 9ivu by Molmil
Crystal structure of Ang1-A451D receptor binding domain
Descriptor: Angiopoietin-1
Authors:Wang, R, Huang, M.D, Jiang, L.G.
Deposit date:2024-07-24
Release date:2025-07-02
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Development of a recombinant Ang1 variant with enhanced Tie2 binding and its application to attenuate sepsis in mice.
Sci Adv, 11, 2025
9IX5
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BU of 9ix5 by Molmil
An agonist(compound 15n) of Thyroid Hormone Receptor B
Descriptor: 2-[(1-methoxy-7-naphthalen-2-yloxy-4-oxidanyl-isoquinolin-3-yl)carbonylamino]ethanoic acid, Nuclear receptor coactivator 2, Thyroid hormone receptor beta
Authors:Yao, B, Li, Y.
Deposit date:2024-07-26
Release date:2025-07-02
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Discovery of a Potent, Selective, and Multiple His435 Mutation-Sensitive Thyroid Hormone Receptor beta Agonist.
J.Med.Chem., 2025
9IYY
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BU of 9iyy by Molmil
Structure of HBsAg in complex with Fab H006
Descriptor: Large envelope protein, heavy chain of antibody H006 Fab, light chain of antibody H006 Fab
Authors:Chen, L, He, X.
Deposit date:2024-07-31
Release date:2025-07-02
Method:ELECTRON MICROSCOPY (3.13 Å)
Cite:Structural polymorphism of the antigenic loop in HBV surface antigen dictates binding of diverse neutralizing antibodies.
Cell Discov, 11, 2025
9J0K
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BU of 9j0k by Molmil
An agonist(compound 14e)of Thyroid Hormone Receptor B
Descriptor: 2-[[7-[3-(aminomethyl)phenoxy]-1-methoxy-4-oxidanyl-isoquinolin-3-yl]carbonylamino]ethanoic acid, Nuclear receptor coactivator 2, Thyroid hormone receptor beta
Authors:Yao, B, Li, Y.
Deposit date:2024-08-02
Release date:2025-07-02
Method:X-RAY DIFFRACTION (2.698 Å)
Cite:Discovery of a Potent, Selective, and Multiple His435 Mutation-Sensitive Thyroid Hormone Receptor beta Agonist.
J.Med.Chem., 2025
9J7W
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BU of 9j7w by Molmil
Channel Rhodospin from Klebsormidium nitens (KnChR)
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, KnChR, RETINAL
Authors:Wang, Y.Z, Akasaka, H, Tanaka, T, Sano, F.K, Shihoya, W, Nureki, O.
Deposit date:2024-08-20
Release date:2025-07-02
Method:ELECTRON MICROSCOPY (2.69 Å)
Cite:Cryo-EM structure of a blue-shifted channelrhodopsin from Klebsormidium nitens
Nat Commun, 16, 2025
9J8A
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BU of 9j8a by Molmil
Structure of antibody BA8 in complex with sulfated peptide from CCR5
Descriptor: Heavy chain of BA8 Fab, Light Chain of Fab BA8, Sulfated peptide from CCR5
Authors:Caaveiro, J.M.M, Ujiie, K, Tsumoto, K.
Deposit date:2024-08-20
Release date:2025-07-02
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Specific recognition mechanism of an antibody to sulfated tyrosine and its potential use in biological research.
J.Biol.Chem., 301, 2025
9J8K
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BU of 9j8k by Molmil
Crystal structure of the GluA2 ligand binding core (S1S2J) in complex with fluorophore-ligand conjugate
Descriptor: 2-(3-azanyl-6-azanylidene-4,5-disulfo-xanthen-9-yl)-5-[[1-[4-(2-hydroxy-2-oxoethyl)-2,3-bis(oxidanylidene)-7-(trifluoromethyl)-1~{H}-quinoxalin-6-yl]pyrrol-3-yl]methylcarbamoyl]benzoic acid, DI(HYDROXYETHYL)ETHER, GluA2 ligand binding core, ...
Authors:Fujiwara, T, Adriel, H, Soga, K, Kiyonaka, S, Nango, E.
Deposit date:2024-08-21
Release date:2025-07-02
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Rapid and reversible fluorescent probe enables repeated snapshot imaging of AMPA receptors during synaptic plasticity.
Sci Adv, 11, 2025
9J8T
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BU of 9j8t by Molmil
Crystal structure of SARS-CoV-2 main protease in complex with Mp-4L2
Descriptor: 3C-like proteinase nsp5, TYR-DSG-DLE-DPN-DGN-ARG-DTH-DAS-DTR-DTH-ALO-DGN-DTY-CCJ-GLY-NH2
Authors:Shi, Y.S, Yang, J.Y, Wang, M.W.
Deposit date:2024-08-21
Release date:2025-07-02
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:De novo discovery of a non-covalent cell-penetrating bicyclic peptide inhibitor targeting SARS-CoV-2 main protease
To Be Published
9J8U
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BU of 9j8u by Molmil
Crystal structure of SARS-CoV-2 main protease in complex with Mp-4D7
Descriptor: 3C-like proteinase nsp5, DTY-VAL-THR-PHE-HIS-ALO-2TL-2TL-PRO-PHE-LEU-DPR-PRO-CCJ-GLY-NH2
Authors:Shi, Y.S, Yang, J.Y, Wang, M.W.
Deposit date:2024-08-21
Release date:2025-07-02
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:De novo discovery of a non-covalent cell-penetrating bicyclic pep-tide inhibitor targeting SARS-CoV-2 main protease
To Be Published
9J9L
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BU of 9j9l by Molmil
artificial mononuclear Zn-bound metalloprotein 1 (M1:Zn)
Descriptor: BICINE, Outer membrane porin F, ZINC ION
Authors:Jeong, W.J, Song, W.J.
Deposit date:2024-08-22
Release date:2025-07-02
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Metal-Installer: A protein designer tool to create metal-binding sites
To Be Published
9J9M
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BU of 9j9m by Molmil
artificial mononuclear Zn-bound metalloprotein 1 (M1:Mn)
Descriptor: MANGANESE (II) ION, Outer membrane porin F
Authors:Jeong, W.J, Song, W.J.
Deposit date:2024-08-23
Release date:2025-07-02
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Metal-Installer: A protein designer tool to create metal-binding sites
To Be Published
9J9N
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BU of 9j9n by Molmil
artificial mononuclear Zn-bound metalloprotein 2 (M2:Zn)
Descriptor: Outer membrane porin F, ZINC ION
Authors:Jeong, W.J, Song, W.J.
Deposit date:2024-08-23
Release date:2025-07-02
Method:X-RAY DIFFRACTION (2.86 Å)
Cite:Metal-Installer: A protein designer tool to create metal-binding sites
To Be Published
9J9O
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BU of 9j9o by Molmil
artificial dinuclear Zn-bound metalloprotein 1 (D1:2Zn)
Descriptor: Outer membrane porin F, ZINC ION
Authors:Jeong, W.J, Song, W.J.
Deposit date:2024-08-23
Release date:2025-07-02
Method:X-RAY DIFFRACTION (2.99 Å)
Cite:Metal-Installer: A protein designer tool to create metal-binding sites
To Be Published
9J9P
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BU of 9j9p by Molmil
artificial mononuclear Zn-bound metalloprotein 3 (M3:Zn)
Descriptor: Outer membrane porin F, ZINC ION
Authors:Jeong, W.J, Song, W.J.
Deposit date:2024-08-23
Release date:2025-07-02
Method:X-RAY DIFFRACTION (3.47 Å)
Cite:Metal-Installer: A protein designer tool to create metal-binding sites
To Be Published
9J9Q
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BU of 9j9q by Molmil
artificial mononuclear Cu-bound metalloprotein 6 (M6:Cu)
Descriptor: COPPER (II) ION, dTDP-4-dehydrorhamnose 3,5-epimerase
Authors:Jeong, W.J, Song, W.J.
Deposit date:2024-08-23
Release date:2025-07-02
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Metal-Installer: A protein designer tool to create metal-binding sites
To Be Published
9J9R
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BU of 9j9r by Molmil
artificial mononuclear Zn-bound metalloprotein 6 (M6:Zn)
Descriptor: ZINC ION, dTDP-4-dehydrorhamnose 3,5-epimerase
Authors:Jeong, W.J, Song, W.J.
Deposit date:2024-08-23
Release date:2025-07-02
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Metal-Installer: A protein designer tool to create metal-binding sites
To Be Published

238268

数据于2025-07-02公开中

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