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9K0O
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BU of 9k0o by Molmil
Cryo-EM structure of human taurine transporter TauT bound with GAA in an intermediate state during the transport cycle
Descriptor: CHLORIDE ION, Fragment antigen binding heavy chain, Fragment antigen binding light chain, ...
Authors:Du, B, Yan, K.
Deposit date:2024-10-15
Release date:2025-08-20
Method:ELECTRON MICROSCOPY (2.95 Å)
Cite:Molecular basis of human taurine transporter uptake and inhibition
To Be Published
9K1B
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BU of 9k1b by Molmil
Cryo-EM structure of human taurine transporter TauT bound with taurine in an occluded state
Descriptor: 2-AMINOETHANESULFONIC ACID, CHLORIDE ION, Fragment antigen binding heavy chain, ...
Authors:Du, B, Yan, K.
Deposit date:2024-10-16
Release date:2025-08-20
Method:ELECTRON MICROSCOPY (3.34 Å)
Cite:Molecular basis of huamn taurine transporter reuptake and inhibition
To Be Published
9K1F
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BU of 9k1f by Molmil
Cryo-EM structure of human taurine transporter TauT bound with GABA in an intermediate conformation in the transport cycle
Descriptor: CHLORIDE ION, Fragment antigen binding heavy chain, Fragment antigen binding light chain, ...
Authors:Du, B, Yan, K.
Deposit date:2024-10-16
Release date:2025-08-20
Method:ELECTRON MICROSCOPY (3.43 Å)
Cite:Molecular basis of human taurine transporter uptake and inhibition
To Be Published
9K1H
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BU of 9k1h by Molmil
Cryo-EM structure of human taurine transporter TauT bound with P4S in an inward open state
Descriptor: CHLORIDE ION, Fragment antigen binding heavy chain, Fragment antigen binding light chain, ...
Authors:Du, B, Yan, K.
Deposit date:2024-10-16
Release date:2025-08-20
Method:ELECTRON MICROSCOPY (3.12 Å)
Cite:Molecular basis of human taurine transporter uptake and inhibition
To Be Published
9K1I
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BU of 9k1i by Molmil
Cryo-EM structure of huamn taurine transporter bound with I4AA in inward-open state
Descriptor: 2H-IMIDAZOL-4-YLACETIC ACID, CHLORIDE ION, Fragment antigen binding heavy chain, ...
Authors:Du, B, Yan, K.
Deposit date:2024-10-16
Release date:2025-08-20
Method:ELECTRON MICROSCOPY (2.92 Å)
Cite:Molecular basis of human taurine transporter uptake and inhibition
To Be Published
9K1V
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BU of 9k1v by Molmil
Cryo-EM structure of human taurine transporter bound with 5AVA in an inward-open state
Descriptor: 5-Aminovaleric Acid, CHLORIDE ION, Fragment antigen binding heavy chain, ...
Authors:Du, B, Yan, K.
Deposit date:2024-10-16
Release date:2025-08-20
Method:ELECTRON MICROSCOPY (2.94 Å)
Cite:Molecular basis of human taurine transporter uptake and inhibition
To Be Published
9K1X
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BU of 9k1x by Molmil
Cryo-EM structure of human taurine transporter TauT bound with GES in an occluded state
Descriptor: CHLORIDE ION, Fragment antigen binding heavy chain, Fragment antigen binding light chain, ...
Authors:Du, B, Yan, K.
Deposit date:2024-10-16
Release date:2025-08-20
Method:ELECTRON MICROSCOPY (3.06 Å)
Cite:Molecular basis of human taurine transporter uptake and inhibition
To Be Published
9K1Z
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BU of 9k1z by Molmil
Cryo-EM structure of human taurine transporter bound with nipecotic acid in an inward open state
Descriptor: (3R)-piperidine-3-carboxylic acid, CHLORIDE ION, Fragment antigen binding heavy chain, ...
Authors:Du, B, Yan, K.
Deposit date:2024-10-16
Release date:2025-08-20
Method:ELECTRON MICROSCOPY (3.27 Å)
Cite:Molecular basis of human taurine transporter uptake and inhibition
To Be Published
9K21
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BU of 9k21 by Molmil
Cryo-EM structure of human taurine transporter TauT bound with homotaurine in an inward-open state
Descriptor: 3-aminopropane-1-sulfonic acid, CHLORIDE ION, Fragment antigen binding heavy chain, ...
Authors:Du, B, Yan, K.
Deposit date:2024-10-16
Release date:2025-08-20
Method:ELECTRON MICROSCOPY (3.45 Å)
Cite:Molecular basis of human taurine transporter uptake and inhibition
To Be Published
9K7H
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BU of 9k7h by Molmil
Crystal structure of dehydrogenase/isomerase FabX from Helicobacter pylori in complex with inhibitor 1872
Descriptor: 2-nitropropane dioxygenase, 3-[[2-[(2,4-dichlorophenyl)amino]pyridin-3-yl]sulfonylamino]benzoic acid, FLAVIN MONONUCLEOTIDE, ...
Authors:Zhang, L, Zhang, L.
Deposit date:2024-10-23
Release date:2025-08-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Antagonist Targeting the Species-Specific Fatty Acid Dehydrogenase/Isomerase FabX for Anti-H. pylori Infection.
Adv Sci, 12, 2025
9KGJ
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BU of 9kgj by Molmil
Discovery of an orally bioavailable reversible covalent SARS-CoV-2 Mpro inhibitor with pan-coronavirus activity
Descriptor: (S)-3-((S)-3-cyclobutyl-2-((R)-2-cyclopentyl-N-methyl-2-pivalamidoacetamido)propanamido)-N-cyclopropyl-2-oxo-4-((S)-2-oxopiperidin-3-yl)butanamide, 3C-like proteinase nsp5, cyclopropylcarbamic acid
Authors:Baburajendran, N.
Deposit date:2024-11-08
Release date:2025-08-20
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:Discovery of an Orally Bioavailable Reversible Covalent SARS-CoV-2 M pro Inhibitor with Pan-Coronavirus Activity.
J.Med.Chem., 2025
9KGN
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BU of 9kgn by Molmil
Discovery of an orally bioavailable reversible covalent SARS-CoV-2 Mpro inhibitor with pan-coronavirus activity
Descriptor: 3C-like proteinase nsp5, compound 3
Authors:Baburajendran, N.
Deposit date:2024-11-08
Release date:2025-08-20
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Discovery of an Orally Bioavailable Reversible Covalent SARS-CoV-2 M pro Inhibitor with Pan-Coronavirus Activity.
J.Med.Chem., 2025
9KGQ
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BU of 9kgq by Molmil
Discovery of an orally bioavailable reversible covalent SARS-CoV-2 Mpro inhibitor with pan-coronavirus activity
Descriptor: 3C-like proteinase nsp5, compound 4
Authors:Baburajendran, N.
Deposit date:2024-11-08
Release date:2025-08-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Discovery of an Orally Bioavailable Reversible Covalent SARS-CoV-2 M pro Inhibitor with Pan-Coronavirus Activity.
J.Med.Chem., 2025
9KGR
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BU of 9kgr by Molmil
Discovery of an orally bioavailable reversible covalent SARS-CoV-2 Mpro inhibitor with pan-coronavirus activity
Descriptor: (S)-2-((R)-2-cyclopentyl-2-pivalamidoacetamido)-N-((2S,3R)-4-(cyclopropylamino)-3-hydroxy-4-oxo-1-((S)-2-oxopiperidin-3-yl)butan-2-yl)pentanamide, 3C-like proteinase nsp5, cyclopropylcarbamic acid
Authors:Baburajendran, N.
Deposit date:2024-11-08
Release date:2025-08-20
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Discovery of an Orally Bioavailable Reversible Covalent SARS-CoV-2 M pro Inhibitor with Pan-Coronavirus Activity.
J.Med.Chem., 2025
9KGS
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BU of 9kgs by Molmil
Discovery of an orally bioavailable reversible covalent SARS-CoV-2 Mpro inhibitor with pan-coronavirus activity
Descriptor: (S)-2-((R)-2-cyclopentyl-N-methyl-2-pivalamidoacetamido)-N-((S)-1-imino-3-((S)-2-oxopiperidin-3-yl)propan-2-yl)pentanamide, 3C-like proteinase nsp5, cyclopropylcarbamic acid
Authors:Baburajendran, N.
Deposit date:2024-11-09
Release date:2025-08-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery of an Orally Bioavailable Reversible Covalent SARS-CoV-2 M pro Inhibitor with Pan-Coronavirus Activity.
J.Med.Chem., 2025
9KHP
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BU of 9khp by Molmil
The crystal structure of XhnM1 with SAH
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, CYSTEINE, ...
Authors:Wu, L, Tang, G.L.
Deposit date:2024-11-11
Release date:2025-08-20
Method:X-RAY DIFFRACTION (1.73006100024 Å)
Cite:Targeted Discovery and Characterization of Type-II PKS-NRPS Hybrid DNA-Alkylating Antibiotics.
Angew.Chem.Int.Ed.Engl., 2025
9KLX
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BU of 9klx by Molmil
The complex structure of XhnM1 and Xinhaicarcin BG
Descriptor: (S)-N-((2R,3S,3a'R,4R,11'S)-3-((2-amino-6-oxo-1,6-dihydro-7H-purin-7-yl)methyl)-3,7',11'-trihydroxy-5',8'-dioxo-3a',4,5,5',8',9',10',11'-octahydro-3H,3'H-spiro[furan-2,2'-furo[2,3,4-de]naphtho[2,3-h]chromen]-4-yl)-1-methylpiperidine-2-carboxamide, ACETATE ION, CHLORIDE ION, ...
Authors:Wu, L, Tang, G.L.
Deposit date:2024-11-15
Release date:2025-08-20
Method:X-RAY DIFFRACTION (1.80000915376 Å)
Cite:Targeted Discovery and Characterization of Type-II PKS-NRPS Hybrid DNA-Alkylating Antibiotics.
Angew.Chem.Int.Ed.Engl., 2025
9KM6
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BU of 9km6 by Molmil
The crystal structure of XhnM1 and its inhibitor sinefugin
Descriptor: CHLORIDE ION, Class I SAM-dependent methyltransferase, GLYCEROL, ...
Authors:Wu, L, Tang, G.L.
Deposit date:2024-11-15
Release date:2025-08-20
Method:X-RAY DIFFRACTION (2.00003128301 Å)
Cite:Targeted Discovery and Characterization of Type-II PKS-NRPS Hybrid DNA-Alkylating Antibiotics.
Angew.Chem.Int.Ed.Engl., 2025
9KPQ
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BU of 9kpq by Molmil
A ThDP-dependent enzyme belonging to the 1-deoxy-D-xylulose-5-phosphate synthase (DXPS)-like subfamily
Descriptor: 1-deoxy-D-xylulose-5-phosphate synthase, MAGNESIUM ION, THIAMINE DIPHOSPHATE
Authors:Xing, B.Y, Ma, M.
Deposit date:2024-11-23
Release date:2025-08-20
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Identification of gut microbial bile acid metabolic enzymes via an AI-assisted pipeline.
Cell, 2025
9KVD
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BU of 9kvd by Molmil
Cryo-EM structure of SARS-CoV-2 prototype spike protein in complex with triple-nAb 3G5, 4H5 and 4C11
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, The heavy chain of 3G5, ...
Authors:Sun, H, Jiang, Y, Wang, S, Zheng, Z, Li, S, Zheng, Q.
Deposit date:2024-12-05
Release date:2025-08-20
Method:ELECTRON MICROSCOPY (3.44 Å)
Cite:Cryo-EM structure of SARS-CoV-2 prototype spike protein in complex with triple-nAb 3G5, 4H5 and 4C11
To Be Published
9KVE
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BU of 9kve by Molmil
Cryo-EM structure of SARS-CoV-2 prototype spike protein in complex with triple-nAb 4H1, 4A5 and 4C1
Descriptor: Spike protein S1, The heavy chain of 4A5, The heavy chain of 4C1, ...
Authors:Sun, H, Jiang, Y, Wang, S, Zheng, Z, Li, S, Zheng, Q.
Deposit date:2024-12-05
Release date:2025-08-20
Method:ELECTRON MICROSCOPY (2.98 Å)
Cite:Cryo-EM structure of SARS-CoV-2 prototype spike protein in complex with triple-nAb 4H1, 4A5 and 4C1
To Be Published
9KVF
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BU of 9kvf by Molmil
Cryo-EM structure of SARS-CoV-2 EG.1 spike protein in complex with triple-nAb 4A5, 4C1 and 2E10
Descriptor: 2E10 heavy chain, 2E10 light chain, 4A5 heavy chain, ...
Authors:Sun, H, Jiang, Y, Wang, S, Zheng, Z, Li, S, Zheng, Q.
Deposit date:2024-12-05
Release date:2025-08-20
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Cryo-EM structure of SARS-CoV-2 EG.1 spike protein in complex with triple-nAb 4A5, 4C1 and 2E10
To Be Published
9KYF
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BU of 9kyf by Molmil
Crystal structure of E.coli ac4C amidohydrolase YqfB
Descriptor: CALCIUM ION, N(4)-acetylcytidine amidohydrolase
Authors:Guo, W.T, Wu, B.X, Meng, C.Y, Wen, Y.
Deposit date:2024-12-09
Release date:2025-08-20
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Crystal structure of E.coli ac4C amidohydrolase YqfB
To Be Published
9KYG
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BU of 9kyg by Molmil
Crystal structure of E.coli ac4C amidohydrolase YqfB in complex with cytidine
Descriptor: 4-AMINO-1-BETA-D-RIBOFURANOSYL-2(1H)-PYRIMIDINONE, MAGNESIUM ION, N(4)-acetylcytidine amidohydrolase
Authors:Guo, W.T, Meng, C.Y, Wen, Y, Wu, B.X.
Deposit date:2024-12-09
Release date:2025-08-20
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Crystal structure of E.coli ac4C amidohydrolase YqfB in complex with cytidine
To Be Published
9KYH
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BU of 9kyh by Molmil
Crystal structure of E.coli ac4C amidohydrolase YqfB in complex with ac4C
Descriptor: 4-AMINO-1-BETA-D-RIBOFURANOSYL-2(1H)-PYRIMIDINONE, MAGNESIUM ION, N(4)-acetylcytidine amidohydrolase, ...
Authors:Guo, W.T, Meng, C.Y, Wen, Y, Wu, B.X.
Deposit date:2024-12-09
Release date:2025-08-20
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Crystal structure of E.coli ac4C amidohydrolase YqfB in complex with ac4C
To Be Published

240681

数据于2025-08-20公开中

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