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9Y5Q
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BU of 9y5q by Molmil
Cryo EM structure of KCa3.1_R355K_I/calmodulin channel in complex with rimtuzalcap
Descriptor: CALCIUM ION, Calmodulin-1, Intermediate conductance calcium-activated potassium channel protein 4, ...
Authors:Nam, Y.W, Zhang, M.
Deposit date:2025-09-05
Release date:2025-10-15
Method:ELECTRON MICROSCOPY (4.73 Å)
Cite:Structural basis for the subtype-selectivity of KCa2.2 channel activators.
To Be Published
9YB6
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BU of 9yb6 by Molmil
Human Mitochondrial Aspartate Aminotransferase complex with PLP at 1.5 Angstrom.
Descriptor: Aspartate aminotransferase, mitochondrial, CHLORIDE ION, ...
Authors:Krinkel, B.A, Yosaatmadja, Y, Squire, C.J, Loomes, K.M.
Deposit date:2025-09-16
Release date:2025-09-24
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Human mitochondrial GOT2 crystal structure and...
To Be Published
9QEY
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BU of 9qey by Molmil
Cryo-EM structure of the actin filament bound by a single Coronin-1B molecule.
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Actin, cytoplasmic 1, ...
Authors:Oosterheert, W, Boiero Sanders, M, Hofnagel, O, Bieling, P, Raunser, S.
Deposit date:2025-03-11
Release date:2025-10-08
Last modified:2025-10-22
Method:ELECTRON MICROSCOPY (2.74 Å)
Cite:Choreography of rapid actin filament disassembly by coronin, cofilin, and AIP1.
Cell, 2025
9WD8
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BU of 9wd8 by Molmil
structure of human KCNQ1-KCNE3-CaM complex with two PIP2
Descriptor: (2R)-3-{[(S)-hydroxy{[(1R,2R,3S,4R,5R,6S)-2,3,6-trihydroxy-4,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl di[(9Z)-octadec-9-enoate], CALCIUM ION, Calmodulin-1, ...
Authors:Cui, C, Sun, J.
Deposit date:2025-08-18
Release date:2025-09-03
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Mechanisms of KCNQ1 gating modulation by KCNE1/3 for cell-specific function.
Cell Res., 2025
9VS1
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BU of 9vs1 by Molmil
Crystal structure of SARS-CoV-2 3CL protease in complex with compound 15
Descriptor: 1,2-ETHANEDIOL, 3C-like proteinase, 4-chloranyl-3-[6-methyl-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-2,4,5-tris(oxidanylidene)-1-[[3,4,5-tris(fluoranyl)phenyl]methyl]pyrido[4,3-d]pyrimidin-7-yl]benzenecarbonitrile
Authors:Yamamoto, S, Taoda, Y.
Deposit date:2025-07-08
Release date:2025-09-24
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Design, synthesis and biological evaluation of novel quinazolinedione derivatives as non-covalent SARS-CoV-2 3CL protease inhibitors.
Bioorg.Med.Chem.Lett., 129, 2025
9QFB
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BU of 9qfb by Molmil
Cryo-EM structure of the fully Coronin-1B-decorated actin filament in the ADP state.
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Actin, cytoplasmic 1, ...
Authors:Oosterheert, W, Boiero Sanders, M, Hofnagel, O, Bieling, P, Raunser, S.
Deposit date:2025-03-11
Release date:2025-10-08
Last modified:2025-10-22
Method:ELECTRON MICROSCOPY (2.74 Å)
Cite:Choreography of rapid actin filament disassembly by coronin, cofilin, and AIP1.
Cell, 2025
9Y76
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BU of 9y76 by Molmil
Crystal structure of the human DCAF1 WDR domain in complex with OICR-40120
Descriptor: (4P,5M)-N-[(1S)-3-amino-1-(3-chloro-4-fluorophenyl)-3-oxopropyl]-4-(4-chloro-2-fluorophenyl)-5-{1-[2-(morpholin-4-yl)ethyl]-1H-pyrazol-4-yl}-1H-pyrrole-3-carboxamide, DDB1- and CUL4-associated factor 1, UNKNOWN LIGAND
Authors:kimani, S, Dong, A, Li, Y, Seitova, A, Mamai, A, Al-awar, R, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
Deposit date:2025-09-09
Release date:2025-10-15
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Crystal structure of the human DCAF1 WDR domain in complex with OICR-40120
To be published
9QF2
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BU of 9qf2 by Molmil
Cryo-EM structure of the fully Coronin-1B-decorated actin filament in the ADP state.
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Actin, cytoplasmic 1, ...
Authors:Oosterheert, W, Boiero Sanders, M, Hofnagel, O, Bieling, P, Raunser, S.
Deposit date:2025-03-11
Release date:2025-10-08
Last modified:2025-10-22
Method:ELECTRON MICROSCOPY (2.42 Å)
Cite:Choreography of rapid actin filament disassembly by coronin, cofilin, and AIP1.
Cell, 2025
9RPX
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BU of 9rpx by Molmil
Fragment screening of FosAKP, cryo structure in complex with fragment F2X-entry B06
Descriptor: (1S)-1-(4-nitrophenyl)ethan-1-ol, 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, ...
Authors:Guenther, S, Galchenkova, M, Fischer, P, Reinke, P.Y.A, Falke, S, Thekku Veedu, S, Rodrigues, A.C, Senst, J, Meents, A.
Deposit date:2025-06-25
Release date:2025-10-15
Last modified:2025-10-22
Method:X-RAY DIFFRACTION (1.27 Å)
Cite:Room-temperature X-ray fragment screening with serial crystallography.
Nat Commun, 16, 2025
9R40
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BU of 9r40 by Molmil
HaloTag bound to compound MRC71
Descriptor: (2~{S},4~{S})-1-[(3~{S})-3-azanyl-3-(2-methoxyphenyl)propanoyl]-~{N}-[(2~{R})-1-[2-[2-[2-[2-(6-chloranylhexoxy)ethoxy]ethoxy]ethoxy]ethylamino]-1-oxidanylidene-3-pyridin-4-yl-propan-2-yl]-4-cyclohexyl-pyrrolidine-2-carboxamide, CHLORIDE ION, Haloalkane dehalogenase
Authors:Luptak, J.
Deposit date:2025-05-06
Release date:2025-10-08
Method:X-RAY DIFFRACTION (2.043 Å)
Cite:Development of TRIM21 PROTAC molecules
To Be Published
9QBY
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BU of 9qby by Molmil
Yeast 20S proteasome mutant: beta5_G128V (b5-propeptide in trans) in complex with ONX0914
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.]PYRAZOLE, ...
Authors:Huber, E.M, Heinemeyer, W, Groll, M.
Deposit date:2025-03-04
Release date:2025-10-08
Last modified:2025-10-15
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Proteasome-associated autoinflammatory syndromes: The impact of mutations in proteasome subunits on particle assembly, structure, and activity.
Structure, 2025
9QFW
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BU of 9qfw by Molmil
Cryo-EM structure of the cofilactin barbed end bound by two AIP1 molecules
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Actin, cytoplasmic 1, ...
Authors:Oosterheert, W, Boiero Sanders, M, Hofnagel, O, Bieling, P, Raunser, S.
Deposit date:2025-03-12
Release date:2025-10-08
Last modified:2025-10-22
Method:ELECTRON MICROSCOPY (3.16 Å)
Cite:Choreography of rapid actin filament disassembly by coronin, cofilin, and AIP1.
Cell, 2025
9QBW
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BU of 9qbw by Molmil
Yeast 20S proteasome mutant: beta5_G128V (b5-propeptide in trans) in complex with Carfilzomib
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.]PYRAZOLE, ...
Authors:Huber, E.M, Heinemeyer, W, Groll, M.
Deposit date:2025-03-03
Release date:2025-10-08
Last modified:2025-10-15
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Proteasome-associated autoinflammatory syndromes: The impact of mutations in proteasome subunits on particle assembly, structure, and activity.
Structure, 2025
9QDF
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BU of 9qdf by Molmil
Yeast 20S proteasome mutant: beta1_G128V (b1-propeptide deleted) in complex with Bortezomib
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.]PYRAZOLE, CHLORIDE ION, ...
Authors:Huber, E.M, Heinemeyer, W, Groll, M.
Deposit date:2025-03-06
Release date:2025-10-08
Last modified:2025-10-15
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Proteasome-associated autoinflammatory syndromes: The impact of mutations in proteasome subunits on particle assembly, structure, and activity.
Structure, 2025
9QB1
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BU of 9qb1 by Molmil
Yeast 20S proteasome mutant: beta5_T3M in complex with Bortezomib
Descriptor: 3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.]PYRAZOLE, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Huber, E.M, Heinemeyer, W, Groll, M.
Deposit date:2025-02-28
Release date:2025-10-08
Last modified:2025-10-15
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Proteasome-associated autoinflammatory syndromes: The impact of mutations in proteasome subunits on particle assembly, structure, and activity.
Structure, 2025
9QBE
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BU of 9qbe by Molmil
Yeast 20S proteasome mutant: beta5_T3M in complex with ONX0914
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.]PYRAZOLE, CHLORIDE ION, ...
Authors:Huber, E.M, Heinemeyer, W, Groll, M.
Deposit date:2025-03-02
Release date:2025-10-08
Last modified:2025-10-15
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Proteasome-associated autoinflammatory syndromes: The impact of mutations in proteasome subunits on particle assembly, structure, and activity.
Structure, 2025
9V21
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BU of 9v21 by Molmil
Cryo- EM structure of 75S ribosome with P- tRNA from Entamoeba histolytica
Descriptor: 17S rRNA, 25S rRNA, 40S ribosomal protein S10, ...
Authors:Sharma, S, Mishra, S, Gourinath, S, Kaushal, P.S.
Deposit date:2025-05-19
Release date:2025-10-08
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Cryo-EM structure of ribosome from pathogenic protozoa Entamoeba histolytica reveals unique features of its architecture.
Nat Commun, 16, 2025
9QDS
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BU of 9qds by Molmil
Yeast 20S proteasome mutant: beta1_G128V (b1-propeptide deleted) in complex with Carfilzomib
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.]PYRAZOLE, CHLORIDE ION, ...
Authors:Huber, E.M, Heinemeyer, W, Groll, M.
Deposit date:2025-03-06
Release date:2025-10-08
Last modified:2025-10-15
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Proteasome-associated autoinflammatory syndromes: The impact of mutations in proteasome subunits on particle assembly, structure, and activity.
Structure, 2025
9QFD
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BU of 9qfd by Molmil
Cryo-EM structure of the fully cofilin-1-decorated actin filament (cofilactin)
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Actin, cytoplasmic 1, ...
Authors:Oosterheert, W, Boiero Sanders, M, Hofnagel, O, Bieling, P, Raunser, S.
Deposit date:2025-03-11
Release date:2025-10-08
Last modified:2025-10-22
Method:ELECTRON MICROSCOPY (2.61 Å)
Cite:Choreography of rapid actin filament disassembly by coronin, cofilin, and AIP1.
Cell, 2025
9QFQ
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BU of 9qfq by Molmil
Cryo-EM structure of the cofilactin barbed end bound by AIP1
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Actin, cytoplasmic 1, ...
Authors:Oosterheert, W, Boiero Sanders, M, Hofnagel, O, Bieling, P, Raunser, S.
Deposit date:2025-03-12
Release date:2025-10-08
Last modified:2025-10-22
Method:ELECTRON MICROSCOPY (2.76 Å)
Cite:Choreography of rapid actin filament disassembly by coronin, cofilin, and AIP1.
Cell, 2025
4W8S
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BU of 4w8s by Molmil
Crystal structure of truncated hemolysin A Q125S/Y134S from P. mirabilis at 1.5 Angstroms resolution
Descriptor: Hemolysin
Authors:Novak, W.R.P, Glasgow, E, Thompson, J.R, Weaver, T.M.
Deposit date:2014-08-26
Release date:2015-10-07
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.511 Å)
Cite:Crystal structure of truncated hemolysin A Q125S/Y134S from P. mirabilis at 1.5 Angstroms resolution
To Be Published
8VS7
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BU of 8vs7 by Molmil
Crystal structure of ADI-19425 Fab in complex with anti-idiotypic 2C1 Fab
Descriptor: 1,2-ETHANEDIOL, 2C1 Heavy Chain, 2C1 Light Chain, ...
Authors:Kher, G, Homad, L.J, McGuire, A.T, Pancera, M.
Deposit date:2024-01-23
Release date:2024-09-18
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:A novel RSV vaccine candidate derived from anti-idiotypic antibodies targets putative neutralizing B-cells in bulk PBMCs
To Be Published
5IDV
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BU of 5idv by Molmil
Structure of the nucleotide binding domain of an ABC transporter MsbA from Acinetobacter baumannii
Descriptor: 1,2-ETHANEDIOL, Lipid A export ATP-binding/permease protein MsbA
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2016-02-24
Release date:2016-03-02
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structure of the nucleotide binding domain of an ABC transporter MsbA from Acinetobacter baumannii
to be published
7M77
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BU of 7m77 by Molmil
NMR Structure of Schistocin-3 antimicrobial peptide in presence of DPC-d38 micelles
Descriptor: Schistocin-3 antimicrobial peptide
Authors:Santos, B.P.O, de Magalhaes, M.T.Q.
Deposit date:2021-03-26
Release date:2021-09-15
Last modified:2024-11-13
Method:SOLUTION NMR
Cite:Schistocins: Novel antimicrobial peptides encrypted in the Schistosoma mansoni Kunitz Inhibitor SmKI-1.
Biochim Biophys Acta Gen Subj, 1865, 2021
4W4X
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BU of 4w4x by Molmil
JNK2/3 in complex with 3-(4-{[(4-fluorophenyl)carbamoyl]amino}-1H-pyrazol-1-yl)-N-(2-methylpyridin-4-yl)benzamide
Descriptor: 3-(4-{[(4-fluorophenyl)carbamoyl]amino}-1H-pyrazol-1-yl)-N-(2-methylpyridin-4-yl)benzamide, c-jun NH2-terminal kinase 3
Authors:Park, H, Iqbal, S, Hernandez, P, Mora, R, Zheng, K, Feng, Y, LoGrasso, P.
Deposit date:2014-08-15
Release date:2015-02-11
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structural Basis and Biological Consequences for JNK2/3 Isoform Selective Aminopyrazoles.
Sci Rep, 5, 2015

243531

数据于2025-10-22公开中

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