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6P9K
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BU of 6p9k by Molmil
Crystal structure of Mycobacterium tuberculosis KasA in complex with O6G
Descriptor: 3-oxoacyl-ACP synthase, GLYCEROL, ISOPROPYL ALCOHOL, ...
Authors:Capodagli, G.C, Neiditch, M.B.
Deposit date:2019-06-10
Release date:2020-04-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.703 Å)
Cite:A Preclinical Candidate Targeting Mycobacterium tuberculosis KasA.
Cell Chem Biol, 27, 2020
6UNP
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BU of 6unp by Molmil
Crystal structure of the kinase domain of BMPR2-D485G
Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, Bone morphogenetic protein receptor type-2, ...
Authors:Agnew, C, Jura, N.
Deposit date:2019-10-13
Release date:2021-07-07
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis for ALK2/BMPR2 receptor complex signaling through kinase domain oligomerization.
Nat Commun, 12, 2021
5PZG
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BU of 5pzg by Molmil
PanDDA analysis group deposition -- Crystal Structure of SP100 after initial refinement with no ligand modelled (structure 112)
Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Nuclear autoantigen Sp-100, ...
Authors:Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
Deposit date:2017-02-08
Release date:2017-03-22
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
7MI5
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BU of 7mi5 by Molmil
Asymmetrical PAM-Non PAM prespacer bound Cas4/Cas1/Cas2 complex
Descriptor: CRISPR-associated endoribonuclease Cas2, CRISPR-associated exonuclease Cas4/endonuclease Cas1 fusion, DNA (26-MER), ...
Authors:Hu, C.Y, Ke, A.K.
Deposit date:2021-04-16
Release date:2021-11-17
Method:ELECTRON MICROSCOPY (3.57 Å)
Cite:Mechanism for Cas4-assisted directional spacer acquisition in CRISPR-Cas.
Nature, 598, 2021
7MI9
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BU of 7mi9 by Molmil
Full integration complex of Cas1/Cas2 from Cas4-containing system
Descriptor: CRISPR-associated endoribonuclease Cas2, CRISPR-associated exonuclease Cas4/endonuclease Cas1 fusion, DNA (5'-D(P*CP*GP*GP*AP*AP*AP*AP*GP*AP*GP*CP*C)-3'), ...
Authors:Hu, C.Y, Ke, A.K.
Deposit date:2021-04-16
Release date:2021-11-17
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.89 Å)
Cite:Mechanism for Cas4-assisted directional spacer acquisition in CRISPR-Cas.
Nature, 598, 2021
6P9Q
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BU of 6p9q by Molmil
E.coli LpxA in complex with UDP-3-O-(R-3-hydroxymyristoyl)-GlcNAc and Compound 2
Descriptor: Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase, DIMETHYL SULFOXIDE, PHOSPHATE ION, ...
Authors:Ma, X, Shia, S, Ornelas, E.
Deposit date:2019-06-10
Release date:2020-03-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Two Distinct Mechanisms of Inhibition of LpxA Acyltransferase Essential for Lipopolysaccharide Biosynthesis.
J.Am.Chem.Soc., 142, 2020
6M9G
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BU of 6m9g by Molmil
BbvCI B2 dimer with Ta6Br14 clusters
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, BROMIDE ION, ...
Authors:Shen, B.W, Stoddard, B.L.
Deposit date:2018-08-23
Release date:2018-11-14
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structure, subunit organization and behavior of the asymmetric Type IIT restriction endonuclease BbvCI.
Nucleic Acids Res., 47, 2019
8E3S
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BU of 8e3s by Molmil
CryoEM structure of yeast Arginyltransferase 1 (ATE1)
Descriptor: Arginyl-tRNA--protein transferase 1, ZINC ION
Authors:Huang, W, Zhang, Y, Taylor, D.J.
Deposit date:2022-08-17
Release date:2023-04-26
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:The structural basis of tRNA recognition by arginyl-tRNA-protein transferase.
Nat Commun, 14, 2023
6TYK
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BU of 6tyk by Molmil
Crystal structure of iodotyrosine deiodinase (IYD) in the semiquinone form bound to FMN and 3-iodo-L-tyrosine
Descriptor: 3-IODO-TYROSINE, CHLORIDE ION, FLAVIN MONONUCLEOTIDE, ...
Authors:Sun, Z, Kavran, J.M, Rokita, S.E.
Deposit date:2019-08-09
Release date:2021-04-07
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Structure of Tn IYD bound in the semiquinone form bound to FMN and 3-iodo-L-tyrosine
To Be Published
7A9L
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BU of 7a9l by Molmil
Racemic compound of RNA duplexes.
Descriptor: RNA (5'-R(*(0C)P*(0C)P*(0G)P*(0C)P*(0C)P*(0U)P*(0G)P*(0G))-3'), RNA (5'-R(*(0C)P*(0U)P*(0G)P*(0G)P*(0G)P*(0C)P*(0G)P*(0G))-3'), RNA (5'-R(*CP*CP*GP*CP*CP*UP*GP*G)-3'), ...
Authors:Rypniewski, W.
Deposit date:2020-09-02
Release date:2021-05-26
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Broken symmetry between RNA enantiomers in a crystal lattice.
Nucleic Acids Res., 49, 2021
6UL7
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BU of 6ul7 by Molmil
Structure of human ketohexokinase-C in complex with fructose, NO3, and osthole
Descriptor: 7-methoxy-8-(3-methylbut-2-enyl)chromen-2-one, Ketohexokinase, NITRATE ION, ...
Authors:Gasper, W.C, Gardner, S, Allen, K.N, Tolan, D.R.
Deposit date:2019-10-07
Release date:2021-04-07
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of human ketohexokinase-C in complex with fructose, NO3, and osthole
To be Published
7MFJ
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BU of 7mfj by Molmil
Structural Characterization of Beta Cyanoalanine Synthase from Tetranychus Urticae
Descriptor: ACETATE ION, Beta-cyanoalanine synthase, PYRIDOXAL-5'-PHOSPHATE
Authors:Daneshian, L, Schlachter, C, Dermauw, W, Wybouw, N, Van Leeuwen, T, Chruszcz, M.
Deposit date:2021-04-09
Release date:2021-11-24
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.351 Å)
Cite:Structural and functional characterization of beta-cyanoalanine synthase from Tetranychus urticae.
Insect Biochem.Mol.Biol., 142, 2022
6MA3
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BU of 6ma3 by Molmil
Crystal structure of human O-GlcNAc transferase bound to a peptide from HCF-1 pro-repeat 2 (11-26) and inhibitor 2a
Descriptor: 4-{2-[(1R)-2-{(carboxymethyl)[(thiophen-2-yl)methyl]amino}-2-oxo-1-{[(2-oxo-1,2-dihydroquinolin-6-yl)sulfonyl]amino}ethyl]phenoxy}butanoic acid, Host Cell Factor 1 peptide, UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit
Authors:Martin, S.E.S, Lazarus, M.B, Walker, S.
Deposit date:2018-08-25
Release date:2018-10-17
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-Based Evolution of Low Nanomolar O-GlcNAc Transferase Inhibitors.
J. Am. Chem. Soc., 140, 2018
8DTO
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BU of 8dto by Molmil
Vaccine elicited Antibody MU89 bound to CH848.D949.10.17_N133D_N138T.DS.SOSIP.664 HIV-1 Env trimer
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Stalls, V, Acharya, P.
Deposit date:2022-07-26
Release date:2023-04-19
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (3.57 Å)
Cite:Mutation-guided vaccine design: A process for developing boosting immunogens for HIV broadly neutralizing antibody induction.
Cell Host Microbe, 32, 2024
6PKG
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BU of 6pkg by Molmil
Zebrafish N-acetylglucosamine-1-phosphodiester alpha-N-acetylglucosaminidase (NAGPA) catalytic domain auto-inhibited by pro-peptide
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, HEXAETHYLENE GLYCOL, IODIDE ION, ...
Authors:Gorelik, A, Illes, K, Nagar, B.
Deposit date:2019-06-29
Release date:2020-02-19
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal Structure of the Mannose-6-Phosphate Uncovering Enzyme.
Structure, 28, 2020
7A9P
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BU of 7a9p by Molmil
Racemic compound of RNA duplexes.
Descriptor: RNA (5'-R(*(0C)P*(0C)P*(0G)P*(0C)P*(0C)P*(0U)P*(0G)P*(0G))-3'), RNA (5'-R(*(0C)P*(0U)P*(0G)P*(0G)P*(0G)P*(0C)P*(0G)P*(0G))-3'), RNA (5'-R(*CP*CP*GP*CP*CP*UP*GP*G)-3'), ...
Authors:Rypniewski, W.
Deposit date:2020-09-02
Release date:2021-05-26
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.985 Å)
Cite:Broken symmetry between RNA enantiomers in a crystal lattice.
Nucleic Acids Res., 49, 2021
6TWN
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BU of 6twn by Molmil
Crystal structure of Talin1 R7R8 in complex with CDK1 (206-223)
Descriptor: CHLORIDE ION, Cyclin-dependent kinase 1, GLYCEROL, ...
Authors:Zacharchenko, T, Muench, S.P, Goult, B.T.
Deposit date:2020-01-13
Release date:2021-05-12
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Talin mechanosensitivity is modulated by a direct interaction with cyclin-dependent kinase-1.
J.Biol.Chem., 297, 2021
6PKW
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BU of 6pkw by Molmil
Cryo-EM structure of the zebrafish TRPM2 channel in the apo conformation, processed with C2 symmetry (pseudo C4 symmetry)
Descriptor: Transient receptor potential cation channel subfamily M member 2
Authors:Yin, Y, Wu, M, Hsu, A.L, Borschel, W.F, Borgnia, M.J, Lander, G.C, Lee, S.-Y.
Deposit date:2019-06-30
Release date:2019-08-28
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (4.5 Å)
Cite:Visualizing structural transitions of ligand-dependent gating of the TRPM2 channel.
Nat Commun, 10, 2019
6MAC
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BU of 6mac by Molmil
Ternary structure of GDF11 bound to ActRIIB-ECD and Alk5-ECD
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Activin receptor type-2B, Growth/differentiation factor 11, ...
Authors:Goebel, E.J, Thompson, T.B.
Deposit date:2018-08-27
Release date:2019-07-17
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Structural characterization of an activin class ternary receptor complex reveals a third paradigm for receptor specificity.
Proc.Natl.Acad.Sci.USA, 116, 2019
7M2D
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BU of 7m2d by Molmil
Crystal Structure of Ebola zaire Envelope glycoprotein GP in complex with compound ARN0074953
Descriptor: (1R,3S,5R,7R)-N-[(1r,4R)-4-aminocyclohexyl]-3-(ethoxymethyl)-5-phenyladamantane-1-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, GP1, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2021-03-16
Release date:2021-11-24
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal Structure of Ebola zaire Envelope glycoprotein GP in complex with compound ARN0074953
to be published
8DV4
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BU of 8dv4 by Molmil
Crystal structure of the BC8B TCR-CD1b-PI complex
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOINOSITOL, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Farquhar, R, Rossjohn, J, Shahine, A.
Deposit date:2022-07-28
Release date:2023-04-19
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:alpha beta T-cell receptor recognition of self-phosphatidylinositol presented by CD1b.
J.Biol.Chem., 299, 2023
6ZP6
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BU of 6zp6 by Molmil
Yeast 20S proteasome in complex with glidobactin-like natural product HB334
Descriptor: CHLORIDE ION, MAGNESIUM ION, Probable proteasome subunit alpha type-7, ...
Authors:Zhao, L, Le Chapelain, C, Brachmann, A.O, Kaiser, M, Groll, M, Bode, H.B.
Deposit date:2020-07-08
Release date:2021-05-19
Last modified:2024-09-25
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Activation, Structure, Biosynthesis and Bioactivity of Glidobactin-like Proteasome Inhibitors from Photorhabdus laumondii.
Chembiochem, 22, 2021
6MAL
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BU of 6mal by Molmil
Structure of human Nocturnin C-terminal domain
Descriptor: MAGNESIUM ION, Nocturnin
Authors:Estrella, M.A, Du, J, Korennykh, A.
Deposit date:2018-08-28
Release date:2018-09-05
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal Structure of Human Nocturnin Catalytic Domain.
Sci Rep, 8, 2018
6ZWU
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BU of 6zwu by Molmil
Racemic compound of RNA duplexes.
Descriptor: RNA (5'-R(*(0C)P*(0C)P*(0G)P*(0C)P*(0C)P*(0U)P*(0G)P*(0G))-3'), RNA (5'-R(*(0C)P*(0U)P*(0G)P*(0G)P*(0G)P*(0C)P*(0G)P*(0G))-3'), RNA (5'-R(*CP*CP*GP*CP*CP*UP*GP*G)-3'), ...
Authors:Rypniewski, W.
Deposit date:2020-07-28
Release date:2021-05-26
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.527 Å)
Cite:Broken symmetry between RNA enantiomers in a crystal lattice.
Nucleic Acids Res., 49, 2021
6TVK
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BU of 6tvk by Molmil
Alpha-L-fucosidase isoenzyme 2 from Paenibacillus thiaminolyticus
Descriptor: Alpha-L-fucosidase, GLYCEROL, HEXATANTALUM DODECABROMIDE, ...
Authors:Kovalova, T, Koval, T, Lipovova, P, Dohnalek, J.
Deposit date:2020-01-09
Release date:2021-07-21
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The first structure-function study of GH151 alpha-l-fucosidase uncovers new oligomerization pattern, active site complementation, and selective substrate specificity
Febs J., 2022

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