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9KEZ
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BU of 9kez by Molmil
Crystal structure of the PIN1 and fragment 31 complex.
Descriptor: 2,3-dihydro-1,4-benzodioxin-5-ylmethanol, 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, ...
Authors:Xiao, Q.J, Wu, T.T, Shu, H.L, Qin, W.M.
Deposit date:2024-11-05
Release date:2025-08-27
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Uncovering druggable hotspots on Pin1 via X-ray crystallographic fragment screening.
Eur.J.Med.Chem., 299, 2025
9KF0
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BU of 9kf0 by Molmil
Crystal structure of the PIN1 and fragment 32 complex.
Descriptor: (2,5-dimethylpyrazol-3-yl)methanol, 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, ...
Authors:Xiao, Q.J, Wu, T.T, Shu, H.L, Qin, W.M.
Deposit date:2024-11-05
Release date:2025-08-27
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Uncovering druggable hotspots on Pin1 via X-ray crystallographic fragment screening.
Eur.J.Med.Chem., 299, 2025
9KFC
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BU of 9kfc by Molmil
Crystal structure of the PIN1 and fragment 40 complex.
Descriptor: 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, SULFATE ION, ...
Authors:Xiao, Q.J, Wu, T.T, Shu, H.L, Qin, W.M.
Deposit date:2024-11-05
Release date:2025-08-27
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Uncovering druggable hotspots on Pin1 via X-ray crystallographic fragment screening.
Eur.J.Med.Chem., 299, 2025
9KFD
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BU of 9kfd by Molmil
Truncated Fzo1,GTP-bound
Descriptor: GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Mitofusin FZO1, ...
Authors:Yan, L.-M, Gao, S, Huang, S.-J.
Deposit date:2024-11-06
Release date:2025-08-27
Method:X-RAY DIFFRACTION (2.73 Å)
Cite:A special latch in yeast mitofusin guarantees mitochondrial fusion by stabilizing self-assembly
To Be Published
9KFE
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BU of 9kfe by Molmil
Truncated Fzo1 with modified LD, GTP-bound
Descriptor: GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Mitofusin FZO1,Mitofusin FZO1,Fzo1, ...
Authors:Gao, S, Huang, S.-J.
Deposit date:2024-11-06
Release date:2025-08-27
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:A special latch in yeast mitofusin guarantees mitochondrial fusion by stabilizing self-assembly
To Be Published
9KFF
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BU of 9kff by Molmil
Truncated Fzo1 with modified LD,transition-like state
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, BERYLLIUM TRIFLUORIDE ION, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Gao, S, Huang, S.-J.
Deposit date:2024-11-06
Release date:2025-08-27
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:A special latch in yeast mitofusin guarantees mitochondrial fusion by stabilizing self-assembly
To Be Published
9KFH
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BU of 9kfh by Molmil
Crystal structure of the PIN1 and fragment 52 complex
Descriptor: 2-methylfuran-3-carboxylic acid, 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, ...
Authors:Xiao, Q.J, Wu, T.T, Shu, H.L, Qin, W.M.
Deposit date:2024-11-06
Release date:2025-08-27
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Uncovering druggable hotspots on Pin1 via X-ray crystallographic fragment screening.
Eur.J.Med.Chem., 299, 2025
9KG9
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BU of 9kg9 by Molmil
Crystal structure of the PIN1 and fragment 18 complex.
Descriptor: 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, 3-methoxythiophene-2-carboxylic acid, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, ...
Authors:Xiao, Q.J, Wu, T.T, Shu, H.L, Qin, W.M.
Deposit date:2024-11-08
Release date:2025-08-27
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Uncovering druggable hotspots on Pin1 via X-ray crystallographic fragment screening.
Eur.J.Med.Chem., 299, 2025
9KXH
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BU of 9kxh by Molmil
Crystal structure of the PIN1 and fragment 42 complex
Descriptor: 2,6-bis(fluoranyl)benzamide, 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, ...
Authors:Xiao, Q.J, Wu, T.T, Shu, H.L, Qin, W.M.
Deposit date:2024-12-06
Release date:2025-08-27
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Uncovering druggable hotspots on Pin1 via X-ray crystallographic fragment screening.
Eur.J.Med.Chem., 299, 2025
9KXI
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BU of 9kxi by Molmil
Crystal structure of the PIN1 and fragment 31 complex.
Descriptor: 2-(2-methylimidazol-1-yl)aniline, 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, ...
Authors:Xiao, Q.J, Wu, T.T, Shu, H.L, Qin, W.M.
Deposit date:2024-12-06
Release date:2025-08-27
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Uncovering druggable hotspots on Pin1 via X-ray crystallographic fragment screening.
Eur.J.Med.Chem., 299, 2025
9KXJ
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BU of 9kxj by Molmil
Crystal structure of the PIN1 and fragment 53 complex
Descriptor: (3S,11R)-tetracyclo[6.3.0.02,6.05,9]undecane-3,11-diol, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, ...
Authors:Xiao, Q.J, Wu, T.T, Shu, H.L, Qin, W.M.
Deposit date:2024-12-06
Release date:2025-08-27
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Uncovering druggable hotspots on Pin1 via X-ray crystallographic fragment screening.
Eur.J.Med.Chem., 299, 2025
9KXL
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BU of 9kxl by Molmil
Crystal structure of the PIN1 and fragment 56 complex.
Descriptor: 2-phenoxyethanamine, 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, ...
Authors:Xiao, Q.J, Wu, T.T, Shu, H.L, Qin, W.M.
Deposit date:2024-12-06
Release date:2025-08-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Uncovering druggable hotspots on Pin1 via X-ray crystallographic fragment screening.
Eur.J.Med.Chem., 299, 2025
9KXM
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BU of 9kxm by Molmil
Crystal structure of the PIN1 and fragment 57 complex.
Descriptor: (1~{S})-1-(1~{H}-benzimidazol-2-yl)ethanol, 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, ...
Authors:Xiao, Q.J, Wu, T.T, Shu, H.L, Qin, W.M.
Deposit date:2024-12-06
Release date:2025-08-27
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Uncovering druggable hotspots on Pin1 via X-ray crystallographic fragment screening.
Eur.J.Med.Chem., 299, 2025
9KXN
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BU of 9kxn by Molmil
Crystal structure of the PIN1 and fragment 58 complex.
Descriptor: 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, 5-methyl-1,2-oxazole-3-carbohydrazide, CHLORIDE ION, ...
Authors:Xiao, Q.J, Wu, T.T, Shu, H.L, Qin, W.M.
Deposit date:2024-12-06
Release date:2025-08-27
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Uncovering druggable hotspots on Pin1 via X-ray crystallographic fragment screening.
Eur.J.Med.Chem., 299, 2025
9KXQ
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BU of 9kxq by Molmil
Crystal structure of the PIN1 and fragment 55 complex.
Descriptor: (3,5-dimethyl-1,2-oxazol-4-yl)methanol, 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, ...
Authors:Xiao, Q.J, Wu, T.T, Shu, H.L, Qin, W.M.
Deposit date:2024-12-07
Release date:2025-08-27
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Uncovering druggable hotspots on Pin1 via X-ray crystallographic fragment screening.
Eur.J.Med.Chem., 299, 2025
9L1J
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BU of 9l1j by Molmil
sdAbB YERLA mutant
Descriptor: CHLORIDE ION, GLYCEROL, PENTAETHYLENE GLYCOL, ...
Authors:Caaveiro, J.M.M, Uto, Y, Tsumoto, K.
Deposit date:2024-12-14
Release date:2025-08-27
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Improving the solubility of single domain antibodies using VH-like hallmark residues.
Protein Sci., 34, 2025
9L1K
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BU of 9l1k by Molmil
sdAbA YERLS mutant
Descriptor: GLYCEROL, SODIUM ION, SULFATE ION, ...
Authors:Caaveiro, J.M.M, Fernandez-Perez, J, Tsumoto, K.
Deposit date:2024-12-14
Release date:2025-08-27
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Improving the solubility of single domain antibodies using VH-like hallmark residues.
Protein Sci., 34, 2025
9L3V
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BU of 9l3v by Molmil
structure of WEEV strain 71V1658 virus-like particle(3-fold region)
Descriptor: Structural polyprotein
Authors:Liang, S, Yang, Y, Liu, Y, Rao, Z, Wang, Y, Lou, Z.
Deposit date:2024-12-19
Release date:2025-08-27
Method:ELECTRON MICROSCOPY (2.53 Å)
Cite:Structural basis for engagement of Western Equine Encephalitis Virus with the PCDH10 receptor.
Nat Commun, 16, 2025
9L41
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BU of 9l41 by Molmil
Structure of WEEV strain 71V1658 virus-like particles (VLPs) in complex with human PCDH10 extracellular cadherin repeats 1-2 (EC1-EC2)(3-fold region)
Descriptor: Protocadherin-10, Structural polyprotein
Authors:Liang, S, Yang, Y, Liu, Y, Rao, Z, Wang, Y, Lou, Z.
Deposit date:2024-12-19
Release date:2025-08-27
Method:ELECTRON MICROSCOPY (2.99 Å)
Cite:Structural basis for engagement of Western Equine Encephalitis Virus with the PCDH10 receptor.
Nat Commun, 16, 2025
9LLQ
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BU of 9llq by Molmil
Structure of TetR2 and DNA probe
Descriptor: DNA (5'-D(P*AP*AP*AP*AP*AP*GP*AP*CP*TP*AP*AP*TP*CP*TP*GP*TP*CP*TP*AP*TP*CP*TP*AP*T)-3'), DNA (5'-D(P*AP*TP*AP*GP*AP*TP*AP*GP*AP*CP*AP*GP*AP*TP*TP*AP*GP*TP*CP*TP*TP*TP*TP*T)-3'), TetR family transcriptional regulator
Authors:He, W, Wen, Y.
Deposit date:2025-01-17
Release date:2025-08-27
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural and mechanistic insights into the transcriptional regulation of chromosomal T6SS by large conjugative plasmid-encoded TetRs in Acinetobacter baumannii.
Nucleic Acids Res., 53, 2025
9LMQ
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BU of 9lmq by Molmil
Cryo-EM structure of TIR-STING/c-di-GMP complex
Descriptor: 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), CALCIUM ION, CD-NTase-associated protein 12
Authors:Lu, D.F, Liu, S.
Deposit date:2025-01-19
Release date:2025-08-27
Method:ELECTRON MICROSCOPY (2.88 Å)
Cite:Structural insights into distinct filamentation states reveal a regulatory mechanism for bacterial STING activation.
Mbio, 2025
9LMR
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BU of 9lmr by Molmil
Cryo-EM structure of TIR-STING/c-di-GMP complex fiber
Descriptor: 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), CD-NTase-associated protein 12
Authors:Lu, D.F, Liu, S.
Deposit date:2025-01-20
Release date:2025-08-27
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Structural insights into distinct filamentation states reveal a regulatory mechanism for bacterial STING activation.
Mbio, 2025
9M3F
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BU of 9m3f by Molmil
Cryo-EM structure of Rc-o319 RBD/R. cornutus ACE2 complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme, Spike glycoprotein
Authors:Matsumoto, K, Shihoya, W, Nureki, O.
Deposit date:2025-03-02
Release date:2025-08-27
Method:ELECTRON MICROSCOPY (2.79 Å)
Cite:Molecular basis of sarbecovirus evolution and receptor tropism in natural hosts, potential intermediate hosts, and humans.
Cell Rep, 2025
9M4F
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BU of 9m4f by Molmil
Photosystem I from the eukaryotic filamentous algae
Descriptor: (1~{R},3~{S})-6-[(3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{Z},17~{E})-16-(hydroxymethyl)-3,7,12-trimethyl-18-[(1~{S},4~{S},6~{R})-2,2,6-trimethyl-4-oxidanyl-7-oxabicyclo[4.1.0]heptan-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenylidene]-1,5,5-trimethyl-cyclohexane-1,3-diol, (3S,3'R,5R,6S,7cis)-7',8'-didehydro-5,6-dihydro-5,6-epoxy-beta,beta-carotene-3,3'-diol, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ...
Authors:Shao, R.Q, Pan, X.W.
Deposit date:2025-03-04
Release date:2025-08-27
Method:ELECTRON MICROSCOPY (2.82 Å)
Cite:Architecture of photosystem I-light-harvesting complex from the eukaryotic filamentous yellow-green alga Tribonema minus.
J Integr Plant Biol, 2025
9M5S
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BU of 9m5s by Molmil
Crystal structure of type A chloramphenicol acetyltransferase from Staphylococcus aureus at 1.8 angstrom resolution
Descriptor: ACETATE ION, COBALT (II) ION, Chloramphenicol acetyltransferase, ...
Authors:Wang, K, Chen, J, Ye, S.
Deposit date:2025-03-06
Release date:2025-08-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of type I chloramphenicol acetyltransferase from Staphylococcus aureus
To Be Published

240971

數據於2025-08-27公開中

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