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6ON0
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BU of 6on0 by Molmil
STRUCTURE OF N15 CRO COMPLEXED WITH CONSENSUS OPERATOR DNA
Descriptor: DNA (5'-D(*TP*TP*TP*AP*TP*AP*GP*CP*TP*AP*GP*CP*TP*AP*TP*AP*A)-3'), Gp39
Authors:Hall, B.M, Roberts, S.A, Cordes, M.H.J.
Deposit date:2019-04-19
Release date:2019-05-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Extreme divergence between one-to-one orthologs: the structure of N15 Cro bound to operator DNA and its relationship to the lambda Cro complex.
Nucleic Acids Res., 47, 2019
7RYM
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BU of 7rym by Molmil
CD1a-endo-gdTCR complex
Descriptor: Beta-2-microglobulin, DI(HYDROXYETHYL)ETHER, SULFATE ION, ...
Authors:Wegrecki, M, Le Nours, J, Rossjohn, J.
Deposit date:2021-08-25
Release date:2022-05-18
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Atypical sideways recognition of CD1a by autoreactive gamma delta T cell receptors.
Nat Commun, 13, 2022
6TZS
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BU of 6tzs by Molmil
A DNA i-motif/duplex hybrid
Descriptor: DNA (5'-D(*CP*CP*AP*GP*GP*CP*TP*GP*(CBR)P*AP*A)-3')
Authors:Chu, B, Paukstelis, P.J.
Deposit date:2019-08-13
Release date:2019-10-16
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:A DNA G-quadruplex/i-motif hybrid.
Nucleic Acids Res., 47, 2019
6A17
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BU of 6a17 by Molmil
Crystal structure of CYP90B1 in complex with brassinazole
Descriptor: (2R,3S)-4-(4-chlorophenyl)-2-phenyl-3-(1H-1,2,4-triazol-1-yl)butan-2-ol, CHLORIDE ION, Cytochrome P450 90B1, ...
Authors:Fujiyama, K, Hino, T, Kanadani, M, Mizutani, M, Nagano, S.
Deposit date:2018-06-06
Release date:2019-06-12
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.301 Å)
Cite:Structural insights into a key step of brassinosteroid biosynthesis and its inhibition.
Nat.Plants, 5, 2019
7V0R
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BU of 7v0r by Molmil
Structure of Ternary Complex of cGAS with dsDNA and Bound 5 -ppcpG(2 ,5 )pA
Descriptor: Cyclic GMP-AMP synthase, MAGNESIUM ION, Palindromic DNA18, ...
Authors:Wu, S, Gabelli, S.B, Sohn, J.
Deposit date:2022-05-10
Release date:2023-05-10
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Structure of Ternary Complex of cGAS with dsDNA and Bound 5 -ppcpG(2 ,5 )pA
To Be Published
7RYL
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BU of 7ryl by Molmil
T cell receptor CO3
Descriptor: 1,2-ETHANEDIOL, SULFATE ION, T cell receptor delta variable 1,T cell receptor alpha chain constant, ...
Authors:Wegrecki, M, Le Nours, J, Rossjohn, J.
Deposit date:2021-08-25
Release date:2022-05-18
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Atypical sideways recognition of CD1a by autoreactive gamma delta T cell receptors.
Nat Commun, 13, 2022
7N51
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BU of 7n51 by Molmil
Structure of a bacterial gasdermin from Vitiosangium sp.
Descriptor: Gasdermin
Authors:Johnson, A.G, Kranzusch, P.J.
Deposit date:2021-06-04
Release date:2021-06-16
Last modified:2022-01-26
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Bacterial gasdermins reveal an ancient mechanism of cell death.
Science, 375, 2022
6A8M
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BU of 6a8m by Molmil
N-terminal domain of FACT complex subunit SPT16 from Eremothecium gossypii (Ashbya gossypii)
Descriptor: FACT complex subunit SPT16
Authors:Gaur, N.K, Are, V.N, Durani, V, Ghosh, B, Kumar, A, Kulkarni, K, Makde, R.D.
Deposit date:2018-07-09
Release date:2018-08-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Evolutionary conservation of protein dynamics: insights from all-atom molecular dynamics simulations of 'peptidase' domain of Spt16.
J.Biomol.Struct.Dyn., 2021
4ZF7
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BU of 4zf7 by Molmil
Crystal structure of ferret interleukin-2
Descriptor: DI(HYDROXYETHYL)ETHER, Interleukin 2, PENTAETHYLENE GLYCOL, ...
Authors:Ren, B, Newman, J, McKinstry, W.J, Adams, T.E.
Deposit date:2015-04-21
Release date:2015-11-04
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (1.893 Å)
Cite:Structural and functional characterisation of ferret interleukin-2.
Dev.Comp.Immunol., 55, 2015
7S3B
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BU of 7s3b by Molmil
Crystal structure of intact U2AF65 RRM-region bound to AdML-G5 oligonucleotide
Descriptor: DI(HYDROXYETHYL)ETHER, DNA/RNA (5'-R(P*UP*UP*(UD)P*GP*U)-D(P*(BRU))-R(P*CP*C)-3'), Splicing factor U2AF 65 kDa subunit
Authors:Jenkins, J.L, Henderson, S, Kielkopf, C.L.
Deposit date:2021-09-05
Release date:2022-05-25
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Pre-mRNA splicing factor U2AF2 recognizes distinct conformations of nucleotide variants at the center of the pre-mRNA splice site signal.
Nucleic Acids Res., 50, 2022
7NJA
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BU of 7nja by Molmil
14-3-3 sigma with Pin1 binding site pS72 and covalently bound LvD1006
Descriptor: 14-3-3 protein sigma, CHLORIDE ION, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, ...
Authors:Wolter, M, Dijck, L.v, Cossar, P.J, Ottmann, C.
Deposit date:2021-02-16
Release date:2021-06-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Reversible Covalent Imine-Tethering for Selective Stabilization of 14-3-3 Hub Protein Interactions.
J.Am.Chem.Soc., 143, 2021
7UYB
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BU of 7uyb by Molmil
Inhibitor bound VIM1
Descriptor: (2M)-4'-(piperidin-4-yl)-2-(1H-tetrazol-5-yl)-4-(trifluoromethyl)[1,1'-biphenyl]-3-sulfonamide, Beta-lactamase VIM-1, ZINC ION
Authors:Fischmann, T.O, Scapin, G.
Deposit date:2022-05-06
Release date:2023-05-24
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.11 Å)
Cite:Structure Guided Discovery of Novel Pan Metallo-beta-Lactamase Inhibitors with Improved Gram-Negative Bacterial Cell Penetration.
J.Med.Chem., 67, 2024
7SCX
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BU of 7scx by Molmil
KRAS full-length G12V in complex with RGL1 Ras association domain
Descriptor: 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, Isoform 2B of GTPase KRas, MAGNESIUM ION, ...
Authors:Eves, B.J, Kuntz, D.A, Ikura, M, Marshall, C.B.
Deposit date:2021-09-29
Release date:2022-05-18
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Structures of RGL1 RAS-Association Domain in Complex with KRAS and the Oncogenic G12V Mutant.
J.Mol.Biol., 434, 2022
7UYC
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BU of 7uyc by Molmil
Inhibitor bound VIM1
Descriptor: (2P)-4'-(piperidin-4-yl)-4-[(piperidin-4-yl)methyl]-2-(1H-tetrazol-5-yl)[1,1'-biphenyl]-3-sulfonamide, Beta-lactamase VIM-1, MAGNESIUM ION, ...
Authors:Fischmann, T.O, Scapin, G.
Deposit date:2022-05-06
Release date:2023-05-24
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.02 Å)
Cite:Structure Guided Discovery of Novel Pan Metallo-beta-Lactamase Inhibitors with Improved Gram-Negative Bacterial Cell Penetration.
J.Med.Chem., 67, 2024
6L5X
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BU of 6l5x by Molmil
Carbonmonoxy human hemoglobin A in the R2 quaternary structure at 95 K: Light (2 min)
Descriptor: CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ...
Authors:Shibayama, N, Park, S.Y, Ohki, M, Sato-Tomita, A.
Deposit date:2019-10-24
Release date:2020-02-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Direct observation of ligand migration within human hemoglobin at work.
Proc.Natl.Acad.Sci.USA, 117, 2020
7N52
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BU of 7n52 by Molmil
Structure of a bacterial gasdermin from Runella zeae
Descriptor: Gasdermin
Authors:Johnson, A.G, Kranzusch, P.J.
Deposit date:2021-06-04
Release date:2021-06-23
Last modified:2022-01-26
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Bacterial gasdermins reveal an ancient mechanism of cell death.
Science, 375, 2022
7S3C
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BU of 7s3c by Molmil
Crystal structure of intact U2AF65 RRM-region bound to AdML-A5 oligonucleotide
Descriptor: DNA/RNA (5'-R(P*UP*UP*(UD)P*AP*U)-D(P*(BRU))-R(P*CP*C)-3'), Splicing factor U2AF 65 kDa subunit
Authors:Glasser, E, Jenkins, J.L, Kielkopf, C.L.
Deposit date:2021-09-05
Release date:2022-05-25
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Pre-mRNA splicing factor U2AF2 recognizes distinct conformations of nucleotide variants at the center of the pre-mRNA splice site signal.
Nucleic Acids Res., 50, 2022
7NEI
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BU of 7nei by Molmil
Polyester Hydrolase Leipzig 7 (PHL7) in the unliganded state
Descriptor: Polyester Hydrolase Leipzig 7 (PHL-7), SODIUM ION
Authors:Richter, P.K, Strater, N.
Deposit date:2021-02-04
Release date:2021-06-23
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Low Carbon Footprint Recycling of Post-Consumer PET Plastic with a Metagenomic Polyester Hydrolase.
ChemSusChem, 15, 2022
7UWW
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BU of 7uww by Molmil
Sas6 with alpha-cyclodextrin
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, Cyclohexakis-(1-4)-(alpha-D-glucopyranose), ...
Authors:Photenhauer, A.L, Koropatkin, N.M.
Deposit date:2022-05-04
Release date:2023-06-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:The Ruminococcus bromii amylosome protein Sas6 binds single and double helical alpha-glucan structures in starch.
Nat.Struct.Mol.Biol., 31, 2024
6UFG
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BU of 6ufg by Molmil
Co-crystal structure of M. tuberculosis ileS T-box in complex with tRNA-3'-OH
Descriptor: MAGNESIUM ION, POTASSIUM ION, RNA (166-MER), ...
Authors:Battaglia, R.A, Grigg, J.C, Ke, A.
Deposit date:2019-09-24
Release date:2019-11-20
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.929 Å)
Cite:Structural basis for tRNA decoding and aminoacylation sensing by T-box riboregulators.
Nat.Struct.Mol.Biol., 26, 2019
6L6P
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BU of 6l6p by Molmil
hASIC2a co-crystallized with Mamb-1
Descriptor: Acid-sensing ion channel 2
Authors:Lei, F, Jian, S.
Deposit date:2019-10-29
Release date:2020-11-04
Method:X-RAY DIFFRACTION (3.08 Å)
Cite:hASIC2a co-crystallized with Mamb-1
To Be Published
7UWV
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BU of 7uwv by Molmil
CBM74 from Ruminococcus bromii Sas6 with maltodecaose
Descriptor: CALCIUM ION, CBM74, SODIUM ION, ...
Authors:Photenhauer, A.L, Koropatkin, N.M.
Deposit date:2022-05-04
Release date:2023-06-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The Ruminococcus bromii amylosome protein Sas6 binds single and double helical alpha-glucan structures in starch.
Nat.Struct.Mol.Biol., 31, 2024
6U1K
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BU of 6u1k by Molmil
Thermus thermophilus D-alanine-D-alanine ligase in complex with ADP, carbonate, D-alanine-D-alanine, Mg2+ and K+
Descriptor: ADENOSINE-5'-DIPHOSPHATE, CARBONATE ION, D-ALANINE, ...
Authors:Pederick, J.L, Bruning, J.B.
Deposit date:2019-08-15
Release date:2020-05-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:d-Alanine-d-alanine ligase as a model for the activation of ATP-grasp enzymes by monovalent cations.
J.Biol.Chem., 295, 2020
6U28
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BU of 6u28 by Molmil
Crystal structure of 1918 NS1-ED W187A in complex with the p85-beta-iSH2 domain of human PI3K
Descriptor: Non-structural protein 1, Phosphatidylinositol 3-kinase regulatory subunit beta
Authors:Cho, J.H, Zhao, B, Savage, N, Li, P.
Deposit date:2019-08-19
Release date:2020-04-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Molecular recognition of a host protein by NS1 of pandemic and seasonal influenza A viruses.
Proc.Natl.Acad.Sci.USA, 117, 2020
7N89
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BU of 7n89 by Molmil
Room-temperature X-ray structure of SARS-CoV-2 main protease C145A mutant in complex with substrate Ac-SAVLQSGF-CONH2
Descriptor: 3C-like proteinase, ACE-SER-ALA-VAL-LEU-GLN-SER-GLY-PHE-NH2
Authors:Kovalevsky, A, Kneller, D.W, Coates, L.
Deposit date:2021-06-14
Release date:2021-06-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Michaelis-like complex of SARS-CoV-2 main protease visualized by room-temperature X-ray crystallography.
Iucrj, 8, 2021

224004

数据于2024-08-21公开中

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