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8SPI
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BU of 8spi by Molmil
Crystal structure of chimeric omicron RBD (strain XBB.1.5) complexed with human ACE2
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Zhang, W, Shi, K, Aihara, H, Li, F.
Deposit date:2023-05-03
Release date:2023-08-02
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.06 Å)
Cite:Structural evolution of SARS-CoV-2 omicron in human receptor recognition.
J.Virol., 97, 2023
8SPH
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BU of 8sph by Molmil
Crystal structure of chimeric omicron RBD (strain XBB.1) complexed with human ACE2
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Zhang, W, Shi, K, Aihara, H, Li, F.
Deposit date:2023-05-03
Release date:2023-08-02
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:Structural evolution of SARS-CoV-2 omicron in human receptor recognition.
J.Virol., 97, 2023
8SPG
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BU of 8spg by Molmil
Crystal structure of N-terminally truncated Escherichia coli RapA in complex with MgADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Shaw, G.X, Ji, X.
Deposit date:2023-05-03
Release date:2024-07-03
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of N-terminally truncated Escherichia coli RapA in complex with MgADP
To be published
8SPF
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BU of 8spf by Molmil
Crystal structure of Bax core domain BH3-groove dimer - hexameric fraction with 2-stearoyl lysoPC
Descriptor: 1,2-ETHANEDIOL, Apoptosis regulator BAX, DODECANE, ...
Authors:Cowan, A.D, Miller, M.S, Czabotar, P.E, Colman, P.M.
Deposit date:2023-05-03
Release date:2023-12-27
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Sequence differences between BAX and BAK core domains manifest as differences in their interactions with lipids.
Febs J., 291, 2024
8SPE
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BU of 8spe by Molmil
Crystal structure of Bax core domain BH3-groove dimer - tetrameric fraction P31
Descriptor: 1,2-ETHANEDIOL, Apoptosis regulator BAX, DI(HYDROXYETHYL)ETHER, ...
Authors:Miller, M.S, Cowan, A.D, Colman, P.M, Czabotar, P.E.
Deposit date:2023-05-03
Release date:2023-12-27
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Sequence differences between BAX and BAK core domains manifest as differences in their interactions with lipids.
Febs J., 291, 2024
8SPD
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BU of 8spd by Molmil
Cytochrome P450 (CYP) 3A4 crystallized with clotrimazole
Descriptor: 1-[(2-CHLOROPHENYL)(DIPHENYL)METHYL]-1H-IMIDAZOLE, Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE
Authors:Hsu, M.H, Johnson, E.F.
Deposit date:2023-05-02
Release date:2023-10-11
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Differential Effects of Clotrimazole on X-Ray Crystal Structures of Human Cytochromes P450 3A5 and 3A4.
Drug Metab.Dispos., 51, 2023
8SPC
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BU of 8spc by Molmil
Crystal structure of the cytochrome P450 enzyme RufO
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Cytochrome P450, ...
Authors:Dratch, B.D, Davis, K.M.
Deposit date:2023-05-02
Release date:2023-12-13
Method:X-RAY DIFFRACTION (1.871 Å)
Cite:Insights into Substrate Recognition by the Unusual Nitrating Enzyme RufO.
Acs Chem.Biol., 18, 2023
8SPB
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BU of 8spb by Molmil
Caspase-4/Pro-IL-18 complex
Descriptor: Caspase-4 subunit p10, Caspase-4 subunit p20, Interleukin-18
Authors:Pascal, D, Dong, Y, Wu, H, Jon, K.
Deposit date:2023-05-02
Release date:2023-11-22
Last modified:2023-12-27
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structural insights into cytokine cleavage by inflammatory caspase-4.
Nature, 624, 2023
8SPA
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BU of 8spa by Molmil
Structural insights into cellular control of the human CPEB3 prion, functionally regulated by a labile-amyloid-forming segment
Descriptor: Cytoplasmic polyadenylation element-binding protein 3
Authors:Flores, M.D, Sawaya, M.R, Boyer, D.R, Zink, S, Fioriti, L, Rodriguez, J.A.
Deposit date:2023-05-02
Release date:2024-05-08
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structure of a reversible amyloid fibril formed by the CPEB3 prion-like domain reveals a core sequence involved in translational regulation
To Be Published
8SP9
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BU of 8sp9 by Molmil
Crystal Structure of Coxsackievirus B3 (CVB3) Cloverleaf RNA with tRNA scaffold
Descriptor: tRNA scaffold,CVB3 Cloverleaf RNA
Authors:Gottipati, K, McNeme, S.C, Choi, K.H.
Deposit date:2023-05-02
Release date:2023-08-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.92 Å)
Cite:Structural basis for cloverleaf RNA-initiated viral genome replication.
Nucleic Acids Res., 51, 2023
8SP8
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BU of 8sp8 by Molmil
Human TRP channel TRPV6 in cNW30 nanodiscs inhibited by tetrahydrocannabivarin (THCV)
Descriptor: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, CALCIUM ION, CHLORIDE ION, ...
Authors:Neuberger, A, Yelshanskaya, M.V, Nadezhdin, K.D, Sobolevsky, A.I.
Deposit date:2023-05-02
Release date:2023-08-23
Method:ELECTRON MICROSCOPY (2.79 Å)
Cite:Molecular pathway and structural mechanism of human oncochannel TRPV6 inhibition by the phytocannabinoid tetrahydrocannabivarin.
Nat Commun, 14, 2023
8SP7
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BU of 8sp7 by Molmil
LINE-1 retrotransposon endonuclease domain complex with tranexamic acid
Descriptor: LINE-1 retrotransposon endonuclease, SULFATE ION, TRANS-4-AMINOMETHYLCYCLOHEXANE-1-CARBOXYLIC ACID
Authors:D'Ordine, A.M, Jogl, G, Sedivy, J.M.
Deposit date:2023-05-02
Release date:2024-05-22
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Identification and characterization of small molecule inhibitors of the LINE-1 retrotransposon endonuclease.
Nat Commun, 15, 2024
8SP6
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BU of 8sp6 by Molmil
COMPLEX STRUCTURE OF CDYL2 WITH AN ANTAGONIST
Descriptor: (1s,4s)-bicyclo[2.2.1]heptane, (5R0)FAL(MLZ)(5R5), Chromodomain Y-like protein 2, ...
Authors:Song, X, Beldar, S, Dong, A, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2023-05-02
Release date:2024-03-13
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:COMPLEX STRUCTURE OF CDYL2 WITH AN ANTAGONIST
To be published
8SP5
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BU of 8sp5 by Molmil
LINE-1 retrotransposon endonuclease domain complex with Mn2+
Descriptor: LINE-1 retrotransposon endonuclease, MANGANESE (II) ION, SULFATE ION
Authors:D'Ordine, A.M, Jogl, G, Sedivy, J.M.
Deposit date:2023-05-02
Release date:2024-05-22
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Identification and characterization of small molecule inhibitors of the LINE-1 retrotransposon endonuclease.
Nat Commun, 15, 2024
8SP4
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BU of 8sp4 by Molmil
Crystal structure of N-terminally truncated Escherichia coli RapA in complex with ATP-gamma-S
Descriptor: CHLORIDE ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, RNA polymerase-associated protein RapA
Authors:Shaw, G.X, Kakar, S, Ji, X.
Deposit date:2023-05-02
Release date:2024-07-03
Method:X-RAY DIFFRACTION (2.401 Å)
Cite:Crystal structure of N-terminally truncated Escherichia coli RapA in complex with ATP-gamma-S
To be published
8SP3
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BU of 8sp3 by Molmil
Asymmetric dimer of MapSPARTA bound with gRNA/tDNA hybrid
Descriptor: MAGNESIUM ION, TIR-APAZ, guide RNA, ...
Authors:Shen, Z.F, Yang, X.Y, Fu, T.M.
Deposit date:2023-05-01
Release date:2023-08-23
Last modified:2023-09-20
Method:ELECTRON MICROSCOPY (3.52 Å)
Cite:Oligomerization-mediated activation of a short prokaryotic Argonaute.
Nature, 621, 2023
8SP2
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BU of 8sp2 by Molmil
Crystal structure of metformin hydrolase (MfmAB) from Pseudomonas mendocina sp. MET-2 apo form
Descriptor: NICKEL (II) ION, metformin hydrolase subunit A, metformin hydrolase subunit B
Authors:Tassoulas, L.J, Rankin, J.A, Elias, M.H, Wackett, L.P.
Deposit date:2023-05-01
Release date:2024-03-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Dinickel enzyme evolved to metabolize the pharmaceutical metformin and its implications for wastewater and human microbiomes.
Proc.Natl.Acad.Sci.USA, 121, 2024
8SP1
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BU of 8sp1 by Molmil
Chimeric ETS-domain of murine PU.1 harboring the corresponding beta-strand 3 (S3) residues from murine Ets-1 in complex with d(AATAAGCGIAAGTGGG)
Descriptor: DNA (5'-D(*AP*AP*TP*AP*AP*GP*CP*GP*IP*AP*AP*GP*TP*GP*GP*G)-3'), DNA (5'-D(*TP*CP*CP*CP*AP*CP*TP*TP*CP*CP*GP*CP*TP*TP*AP*T)-3'), SODIUM ION, ...
Authors:Terrell, J.R, Poon, G.M.K.
Deposit date:2023-05-01
Release date:2023-11-29
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Dissection of integrated readout reveals the structural thermodynamics of DNA selection by transcription factors.
Structure, 32, 2024
8SP0
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BU of 8sp0 by Molmil
Symmetric dimer of MapSPARTA bound with gRNA/tDNA hybrid
Descriptor: MAGNESIUM ION, TIR-APAZ, guide RNA, ...
Authors:Shen, Z.F, Yang, X.Y, Fu, T.M.
Deposit date:2023-05-01
Release date:2023-08-23
Last modified:2023-09-20
Method:ELECTRON MICROSCOPY (3.33 Å)
Cite:Oligomerization-mediated activation of a short prokaryotic Argonaute.
Nature, 621, 2023
8SOY
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BU of 8soy by Molmil
Cryo-EM structure of Enoyl-CoA hydratase from Mycobacterium smegmatis
Descriptor: Enoyl-CoA hydratase EchA21
Authors:Shek, R, Quispe, J, Staker, B, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2023-04-30
Release date:2023-05-10
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (2.85 Å)
Cite:Cryo-EM structure of Enoyl-CoA hydratase from Mycobacterium smegmatis
To Be Published
8SOV
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BU of 8sov by Molmil
Proteinase K Multiconformer Model at 353K
Descriptor: ALA-ALA-ALA-SER-VAL-LYS, CALCIUM ION, Proteinase K, ...
Authors:Du, S, Wankowicz, S, Yabukarski, F, Doukov, T, Herschlag, D, Fraser, J.S.
Deposit date:2023-04-30
Release date:2023-08-09
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.291 Å)
Cite:Refinement of multiconformer ensemble models from multi-temperature X-ray diffraction data.
Methods Enzymol., 688, 2023
8SOU
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BU of 8sou by Molmil
Proteinase K Multiconformer Model at 363K
Descriptor: ALA-ALA-ALA-SER-VAL-LYS, CALCIUM ION, Proteinase K, ...
Authors:Du, S, Wankowicz, S, Yabukarski, F, Doukov, T, Herschlag, D, Fraser, J.S.
Deposit date:2023-04-30
Release date:2023-08-09
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Refinement of multiconformer ensemble models from multi-temperature X-ray diffraction data.
Methods Enzymol., 688, 2023
8SOT
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BU of 8sot by Molmil
Structure of the PPIase domain of borrelial BB0108
Descriptor: Basic membrane protein, GLYCEROL
Authors:Shakya, A.K, Herzberg, O.
Deposit date:2023-04-30
Release date:2023-10-11
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:A unique borrelial protein facilitates microbial immune evasion.
Mbio, 14, 2023
8SOS
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BU of 8sos by Molmil
Human CD1d presenting sphingomyelin C24:1 in complex with VHH nanobody 1D17
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d, Beta-2-microglobulin, ...
Authors:Shahine, A, Rossjohn, J.
Deposit date:2023-04-29
Release date:2023-12-13
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Enhanced CD1d phosphatidylserine presentation using a single-domain antibody promotes immunomodulatory CD1d-TIM-3 interactions.
J Immunother Cancer, 11, 2023
8SOR
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BU of 8sor by Molmil
Structure of human PI3KC3-C1 complex
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Beclin 1-associated autophagy-related key regulator, Beclin-1, ...
Authors:Chen, M, Hurley, J.H.
Deposit date:2023-04-29
Release date:2023-06-21
Last modified:2023-06-28
Method:ELECTRON MICROSCOPY (3.96 Å)
Cite:Structure and activation of the human autophagy-initiating ULK1C:PI3KC3-C1 supercomplex
bioRxiv, 2023

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數據於2024-07-17公開中

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