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8TB1
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BU of 8tb1 by Molmil
Solution NMR structure of a RiPP proteusin precursor protein
Descriptor: NHLP leader peptide family natural product, tumor homing peptide 1 (TH1) substrate chimera
Authors:McShan, A.C, Vinayak, A, Nguyen, N.A.
Deposit date:2023-06-28
Release date:2024-02-14
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Disordered regions in proteusin peptides guide post-translational modification by a flavin-dependent RiPP brominase.
Nat Commun, 15, 2024
8TB0
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BU of 8tb0 by Molmil
Cryo-EM Structure of GPR61-G protein complex stabilized by scFv16
Descriptor: GPR61 fused to dominant negative G alpha S/I N18 chimera, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Lees, J.A, Dias, J.M, Han, S.
Deposit date:2023-06-28
Release date:2023-10-04
Method:ELECTRON MICROSCOPY (3.47 Å)
Cite:An inverse agonist of orphan receptor GPR61 acts by a G protein-competitive allosteric mechanism.
Nat Commun, 14, 2023
8TAZ
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BU of 8taz by Molmil
Cryo-EM structure of mink variant Y453F trimeric spike protein bound to one mink ACE2 receptors
Descriptor: Angiotensin-converting enzyme, Spike glycoprotein
Authors:Ahn, H.M, Calderon, B, Fan, X, Gao, Y, Horgan, N, Liang, B.
Deposit date:2023-06-28
Release date:2023-10-25
Method:ELECTRON MICROSCOPY (3.75 Å)
Cite:Structural basis of the American mink ACE2 binding by Y453F trimeric spike glycoproteins of SARS-CoV-2.
J Med Virol, 95, 2023
8TAY
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BU of 8tay by Molmil
The crystal structure of T252E CYP199A4 bound to 4-(thiophen-3-yl)benzoic acid
Descriptor: 4-(thiophen-3-yl)benzoic acid, CHLORIDE ION, Cytochrome P450, ...
Authors:Podgorski, M.N, Bell, S.G.
Deposit date:2023-06-28
Release date:2023-10-25
Method:X-RAY DIFFRACTION (2.021 Å)
Cite:Characterisation of the heme aqua-ligand coordination environment in an engineered peroxygenase cytochrome P450 variant.
J.Inorg.Biochem., 249, 2023
8TAW
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BU of 8taw by Molmil
The crystal structure of T252E CYP199A4 bound to 4-(pyridin-2-yl)benzoic acid
Descriptor: 4-(pyridin-2-yl)benzoic acid, CHLORIDE ION, Cytochrome P450, ...
Authors:Podgorski, M.N, Bell, S.G.
Deposit date:2023-06-28
Release date:2023-10-25
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Characterisation of the heme aqua-ligand coordination environment in an engineered peroxygenase cytochrome P450 variant.
J.Inorg.Biochem., 249, 2023
8TAV
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BU of 8tav by Molmil
FphH, Staphylococcus aureus fluorophosphonate-binding serine hydrolases H, boronic acid-based compound N34 bound
Descriptor: CALCIUM ION, Fluorophosphonate-binding serine hydrolase H, [5-(trifluoromethyl)thiophen-2-yl]boronic acid
Authors:Fellner, M.
Deposit date:2023-06-28
Release date:2024-07-17
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:FphH, Staphylococcus aureus fluorophosphonate-binding serine hydrolases H, boronic acid-based compound N34 bound
To Be Published
8TAU
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BU of 8tau by Molmil
APC/C-CDH1-UBE2C-UBE2S-Ubiquitin-CyclinB
Descriptor: Anaphase-promoting complex subunit 1, Anaphase-promoting complex subunit 10, Anaphase-promoting complex subunit 11, ...
Authors:Bodrug, T, Welsh, K.A, Bolhuis, D.L, Paulakonis, E, Martinez-Chacin, R.C, Liu, B, Pinkin, N, Bonacci, T, Cui, L, Xu, P, Roscow, O, Amann, S.J, Grishkovskaya, I, Emanuele, M.J, Harrison, J.S, Steimel, J.P, Hahn, K.M, Zhang, W, Zhong, E, Haselbach, D, Brown, N.G.
Deposit date:2023-06-27
Release date:2023-09-27
Last modified:2023-12-13
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Time-resolved cryo-EM (TR-EM) analysis of substrate polyubiquitination by the RING E3 anaphase-promoting complex/cyclosome (APC/C).
Nat.Struct.Mol.Biol., 30, 2023
8TAT
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BU of 8tat by Molmil
CRYSTAL STRUCTURE OF R9A SPIN LABELED T4 LYSOZYME MUTANT K65R9A/R76R9A
Descriptor: Endolysin, methyl 1-hydroxy-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrole-3-carboxylate, radical
Authors:Chen, M, Hubbell, W.L, Cascio, D.
Deposit date:2023-06-27
Release date:2024-06-05
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:A Highly Ordered Nitroxide Side Chain for Distance Mapping and Monitoring Slow Structural Fluctuations in Proteins.
Appl.Magn.Reson., 55, 2024
8TAR
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APC/C-CDH1-UBE2C-Ubiquitin-CyclinB-NTD
Descriptor: Anaphase-promoting complex subunit 1, Anaphase-promoting complex subunit 10, Anaphase-promoting complex subunit 11, ...
Authors:Bodrug, T, Welsh, K.A, Bolhuis, D.L, Paulakonis, E, Martinez-Chacin, R.C, Liu, B, Pinkin, N, Bonacci, T, Cui, L, Xu, P, Roscow, O, Amann, S.J, Grishkovskaya, I, Emanuele, M.J, Harrison, J.S, Steimel, J.P, Hahn, K.M, Zhang, W, Zhong, E, Haselbach, D, Brown, N.G.
Deposit date:2023-06-27
Release date:2023-09-27
Last modified:2023-11-22
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Time-resolved cryo-EM (TR-EM) analysis of substrate polyubiquitination by the RING E3 anaphase-promoting complex/cyclosome (APC/C).
Nat.Struct.Mol.Biol., 30, 2023
8TAQ
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BU of 8taq by Molmil
Sequence specific (AATT) orientation of Hoechst molecules at a unique minor groove binding site (position2) within a self-assembled 3D DNA lattice (4x6)
Descriptor: 2'-(4-ETHOXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE, DNA (5'-D(*GP*AP*GP*CP*AP*GP*AP*CP*CP*TP*GP*AP*CP*GP*GP*AP*AP*AP*TP*TP*A*(HT1))-3'), DNA (5'-D(*TP*CP*TP*AP*AP*TP*TP*T)-3'), ...
Authors:Simmons, C.R, MacCulloch, T, Stephanopoulos, N, Yan, H.
Deposit date:2023-06-27
Release date:2023-12-20
Method:X-RAY DIFFRACTION (2.951 Å)
Cite:Site-Specific Arrangement and Structure Determination of Minor Groove Binding Molecules in Self-Assembled Three-Dimensional DNA Crystals.
J.Am.Chem.Soc., 145, 2023
8TAP
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BU of 8tap by Molmil
Sequence specific (AATT) orientation of netropsin molecules at a unique minor groove binding site (position2) within a self-assembled 3D DNA lattice (4x6)
Descriptor: DNA (5'-D(*GP*AP*GP*CP*AP*GP*AP*CP*CP*TP*GP*AP*CP*GP*GP*AP*AP*AP*TP*TP*A)-3'), DNA (5'-D(*TP*CP*TP*AP*AP*TP*TP*T)-3'), DNA (5'-D(P*CP*CP*GP*TP*CP*A)-3'), ...
Authors:Simmons, C.R, MacCulloch, T, Stephanopoulos, N, Yan, H.
Deposit date:2023-06-27
Release date:2023-12-20
Method:X-RAY DIFFRACTION (3.11 Å)
Cite:Site-Specific Arrangement and Structure Determination of Minor Groove Binding Molecules in Self-Assembled Three-Dimensional DNA Crystals.
J.Am.Chem.Soc., 145, 2023
8TAO
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BU of 8tao by Molmil
Quis and CDPPB bound active mGlu5
Descriptor: (S)-2-AMINO-3-(3,5-DIOXO-[1,2,4]OXADIAZOLIDIN-2-YL)-PROPIONIC ACID, 3-cyano-N-(1,3-diphenyl-1H-pyrazol-5-yl)benzamide, Metabotropic glutamate receptor 5, ...
Authors:Krishna Kumar, K, Wang, H, Kobilka, B.K.
Deposit date:2023-06-27
Release date:2023-10-11
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Stepwise activation of a metabotropic glutamate receptor.
Nature, 629, 2024
8TAN
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BU of 8tan by Molmil
CryoEM structure of MFRV-VILP bound to IGF1Rzip
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Insulin-like growth factor, ...
Authors:Kirk, N.S.
Deposit date:2023-06-27
Release date:2024-01-17
Last modified:2024-01-31
Method:ELECTRON MICROSCOPY (3.05 Å)
Cite:A viral insulin-like peptide inhibits IGF-1 receptor phosphorylation and regulates IGF1R gene expression.
Mol Metab, 80, 2024
8TAM
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BU of 8tam by Molmil
Sequence specific (AATT) orientation of Hoechst molecules at two unique minor groove binding sites within a self-assembled 3D DNA lattice (4x6)
Descriptor: 2'-(4-ETHOXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE, COBALT (II) ION, DNA (5'-D(*GP*AP*GP*AP*AP*TP*TP*CP*CP*TP*GP*AP*CP*GP*GP*AP*AP*AP*TP*TP*A)-3'), ...
Authors:Simmons, C.R, MacCulloch, T, Stephanopoulos, N, Yan, H.
Deposit date:2023-06-27
Release date:2023-12-20
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Site-Specific Arrangement and Structure Determination of Minor Groove Binding Molecules in Self-Assembled Three-Dimensional DNA Crystals.
J.Am.Chem.Soc., 145, 2023
8TAL
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BU of 8tal by Molmil
TMEM16F, with Calcium and PIP2, no inhibitor, Cl1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Anoctamin-6, CALCIUM ION
Authors:Wu, H, Feng, S, Cheng, Y.
Deposit date:2023-06-27
Release date:2023-09-06
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Identification of a drug binding pocket in TMEM16F calcium-activated ion channel and lipid scramblase.
Nat Commun, 14, 2023
8TAJ
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BU of 8taj by Molmil
Sequence specific (AATT) orientation of netropsin molecules at a unique minor groove binding site (position1) within a self-assembled 3D DNA lattice (4x6)
Descriptor: CACODYLATE ION, DNA (5'-D(*GP*AP*GP*AP*AP*TP*TP*CP*CP*TP*GP*AP*CP*GP*GP*AP*AP*CP*TP*CP*A)-3'), DNA (5'-D(*TP*CP*TP*GP*AP*GP*TP*T)-3'), ...
Authors:Simmons, C.R, MacCulloch, T, Stephanopoulos, N, Yan, H.
Deposit date:2023-06-27
Release date:2023-12-20
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Site-Specific Arrangement and Structure Determination of Minor Groove Binding Molecules in Self-Assembled Three-Dimensional DNA Crystals.
J.Am.Chem.Soc., 145, 2023
8TAI
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BU of 8tai by Molmil
TMEM16F, with Calcium and PIP2, no inhibitor, Cl2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Anoctamin-6, CALCIUM ION
Authors:Wu, H, Feng, S, Cheng, Y.
Deposit date:2023-06-27
Release date:2023-09-06
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Identification of a drug binding pocket in TMEM16F calcium-activated ion channel and lipid scramblase.
Nat Commun, 14, 2023
8TAH
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BU of 8tah by Molmil
Cryo-EM structure of Cortactin-bound to Arp2/3 complex
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Actin-related protein 2, Actin-related protein 2/3 complex subunit 1A, ...
Authors:Fregoso, F.E, van Eeuwen, T, Dominguez, R.
Deposit date:2023-06-27
Release date:2023-09-27
Last modified:2024-01-31
Method:ELECTRON MICROSCOPY (2.89 Å)
Cite:Mechanism of synergistic activation of Arp2/3 complex by cortactin and WASP-family proteins.
Nat Commun, 14, 2023
8TAG
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BU of 8tag by Molmil
TMEM16F, with Calcium and PIP2, no inhibitor
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Anoctamin-6, CALCIUM ION
Authors:Feng, S, Cheng, Y.
Deposit date:2023-06-27
Release date:2023-09-06
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Identification of a drug binding pocket in TMEM16F calcium-activated ion channel and lipid scramblase.
Nat Commun, 14, 2023
8TAF
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BU of 8taf by Molmil
Autographa californica multiple nucleopolyhedrovirus VP39
Descriptor: Major viral capsid protein, ZINC ION
Authors:Benning, F.M.C, Chao, L.H.
Deposit date:2023-06-27
Release date:2024-01-10
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Helical reconstruction of VP39 reveals principles for baculovirus nucleocapsid assembly.
Nat Commun, 15, 2024
8TAD
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BU of 8tad by Molmil
RTA in complex with inhibitor RUNT-206
Descriptor: (9aM)-5,5-dimethyl-4,5-dihydronaphtho[1,2-b]thiophene-2-carboxylic acid, CHLORIDE ION, NONAETHYLENE GLYCOL, ...
Authors:Rudolph, M.J, Tumer, N.
Deposit date:2023-06-27
Release date:2024-05-01
Method:X-RAY DIFFRACTION (2.76 Å)
Cite:Structure-based design and optimization of a new class of small molecule inhibitors targeting the P-stalk binding pocket of ricin.
Bioorg.Med.Chem., 100, 2024
8TAB
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BU of 8tab by Molmil
RTA-PD00589
Descriptor: 1,2-ETHANEDIOL, 4H,5H-naphtho[1,2-b]thiophene-2-carboxylic acid, CHLORIDE ION, ...
Authors:Rudolph, M.J, Tumer, N.
Deposit date:2023-06-27
Release date:2024-05-01
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Structure-based design and optimization of a new class of small molecule inhibitors targeting the P-stalk binding pocket of ricin.
Bioorg.Med.Chem., 100, 2024
8TAA
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BU of 8taa by Molmil
Right-left hybrid parallel G-quadruplex in complex with N-methyl mesoporphyrin
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, DNA (25-MER), N-METHYLMESOPORPHYRIN, ...
Authors:Seth, P.C, Yatsunyk, L.A.
Deposit date:2023-06-27
Release date:2024-07-03
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Right-left hybrid parallel G-quadruplex in complex with N-methyl mesoporphyrin
To Be Published
8TA9
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BU of 8ta9 by Molmil
Sequence specific (AATT) orientation of DAPI molecules at a unique minor groove binding site (position1) within a self-assembled 3D DNA lattice (4x6)
Descriptor: 6-AMIDINE-2-(4-AMIDINO-PHENYL)INDOLE, COBALT (II) ION, DNA (5'-D(*GP*AP*GP*AP*AP*TP*TP*CP*CP*TP*GP*AP*CP*GP*GP*AP*AP*CP*TP*CP*A*(DAP))-3'), ...
Authors:Simmons, C.R, MacCulloch, T, Stephanopoulos, N, Yan, H.
Deposit date:2023-06-27
Release date:2023-12-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Site-Specific Arrangement and Structure Determination of Minor Groove Binding Molecules in Self-Assembled Three-Dimensional DNA Crystals.
J.Am.Chem.Soc., 145, 2023
8TA8
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BU of 8ta8 by Molmil
Sequence specific (AATT) orientation of netropsin molecules at two unique minor groove binding sites within a self-assembled 3D DNA lattice (4x6)
Descriptor: DNA (5'-D(*GP*AP*GP*AP*AP*TP*TP*CP*CP*TP*GP*AP*CP*GP*GP*AP*AP*AP*TP*TP*A*(NT)*(NT))-3'), DNA (5'-D(*TP*CP*TP*AP*AP*TP*TP*T)-3'), DNA (5'-D(P*CP*CP*GP*TP*CP*A)-3'), ...
Authors:Simmons, C.R, MacCulloch, T, Stephanopoulos, N, Yan, H.
Deposit date:2023-06-26
Release date:2023-12-20
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:Site-Specific Arrangement and Structure Determination of Minor Groove Binding Molecules in Self-Assembled Three-Dimensional DNA Crystals.
J.Am.Chem.Soc., 145, 2023

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數據於2024-07-17公開中

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