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3IKA
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BU of 3ika by Molmil
Crystal Structure of EGFR 696-1022 T790M Mutant Covalently Binding to WZ4002
Descriptor: Epidermal growth factor receptor, N-{3-[(5-chloro-2-{[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)oxy]phenyl}prop-2-enamide
Authors:Yun, C.-H, Eck, M.J.
Deposit date:2009-08-05
Release date:2010-01-12
Last modified:2021-10-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Novel mutant-selective EGFR kinase inhibitors against EGFR T790M.
Nature, 462, 2009
4LX4
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BU of 4lx4 by Molmil
Crystal Structure Determination of Pseudomonas stutzeri endoglucanase Cel5A using a Twinned Data Set
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Endoglucanase(Endo-1,4-beta-glucanase)protein
Authors:Dutoit, R, Delsaute, M, Berlemont, R, Van Elder, D, Galleni, M, Bauvois, C.
Deposit date:2013-07-29
Release date:2014-07-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.556 Å)
Cite:Crystal structure determination of Pseudomonas stutzeri A1501 endoglucanase Cel5A: the search for a molecular basis for glycosynthesis in GH5_5 enzymes.
Acta Crystallogr D Struct Biol, 75, 2019
6JIF
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BU of 6jif by Molmil
Crystal Structures of Branched-Chain Aminotransferase from Pseudomonas sp. UW4
Descriptor: Branched-chain-amino-acid aminotransferase, PYRIDOXAL-5'-PHOSPHATE
Authors:Zheng, X, Guo, L, Li, D.F, Wu, B.
Deposit date:2019-02-21
Release date:2020-01-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Biochemical and structural characterization of a highly active branched-chain amino acid aminotransferase from Pseudomonas sp. for efficient biosynthesis of chiral amino acids.
Appl.Microbiol.Biotechnol., 103, 2019
7OTJ
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BU of 7otj by Molmil
Crystal structure of Pif1 helicase from Candida albicans
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ATP-dependent DNA helicase PIF1, DNA (5'-D(P*TP*TP*TP*TP*TP*T)-3'), ...
Authors:Rety, S, Xi, X.G.
Deposit date:2021-06-10
Release date:2021-07-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:Structural study of the function of Candida Albicans Pif1.
Biochem.Biophys.Res.Commun., 567, 2021
4AEE
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BU of 4aee by Molmil
CRYSTAL STRUCTURE OF MALTOGENIC AMYLASE FROM S.MARINUS
Descriptor: ALPHA AMYLASE, CATALYTIC REGION
Authors:Jung, T.Y, Park, C.H, Yoon, S.M, Park, S.H, Park, K.H, Woo, E.J.
Deposit date:2012-01-10
Release date:2012-01-18
Last modified:2012-03-21
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Association of Novel Domain in Active Site of Archaic Hyperthermophilic Maltogenic Amylase from Staphylothermus Marinus.
J.Biol.Chem., 287, 2012
3L0T
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BU of 3l0t by Molmil
Crystal structure of catalytic domain of TACE with hydantoin inhibitor
Descriptor: Disintegrin and metalloproteinase domain-containing protein 17, ISOPROPYL ALCOHOL, N-{(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-3-methyl-L-valyl-N-(2-aminoethyl)-L-alaninamide, ...
Authors:Orth, P.
Deposit date:2009-12-10
Release date:2010-03-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Discovery and SAR of hydantoin TACE inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
8I4Z
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BU of 8i4z by Molmil
CalA3 with hydrolysis product
Descriptor: 11-oxidanylidene-11-(1~{H}-pyrrol-2-yl)undecanoic acid, Beta-ketoacyl-acyl-carrier-protein synthase I
Authors:Wang, J, Wang, Z.
Deposit date:2023-01-21
Release date:2023-02-22
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.97 Å)
Cite:C-N bond formation by a polyketide synthase.
Nat Commun, 14, 2023
8I4Y
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BU of 8i4y by Molmil
CalA3 complex structure with amidation product
Descriptor: 11-oxidanylidene-11-(1~{H}-pyrrol-2-yl)undecanoic acid, 3-HYDROXYANTHRANILIC ACID, Beta-ketoacyl-acyl-carrier-protein synthase I
Authors:Wang, J, Wang, Z.
Deposit date:2023-01-21
Release date:2023-02-22
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.84 Å)
Cite:C-N bond formation by a polyketide synthase.
Nat Commun, 14, 2023
7LYK
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BU of 7lyk by Molmil
South African (B.1.351) SARS-CoV-2 spike protein variant (S-GSAS-B.1.351) in the 2-RBD-up conformation
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
Authors:Gobeil, S, Acharya, P.
Deposit date:2021-03-07
Release date:2021-03-31
Last modified:2022-12-07
Method:ELECTRON MICROSCOPY (3.65 Å)
Cite:Effect of natural mutations of SARS-CoV-2 on spike structure, conformation, and antigenicity.
Science, 373, 2021
7LYQ
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BU of 7lyq by Molmil
South African (B.1.351) SARS-CoV-2 spike protein variant (S-GSAS-B.1.351) in the 1-RBD-up conformation
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
Authors:Gobeil, S, Acharya, P.
Deposit date:2021-03-07
Release date:2021-03-31
Last modified:2022-12-07
Method:ELECTRON MICROSCOPY (3.34 Å)
Cite:Effect of natural mutations of SARS-CoV-2 on spike structure, conformation, and antigenicity.
Science, 373, 2021
7LYL
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BU of 7lyl by Molmil
South African (B.1.351) SARS-CoV-2 spike protein variant (S-GSAS-B.1.351) in the RBD-down conformation
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
Authors:Gobeil, S, Acharya, P.
Deposit date:2021-03-07
Release date:2021-03-31
Last modified:2022-12-07
Method:ELECTRON MICROSCOPY (3.72 Å)
Cite:Effect of natural mutations of SARS-CoV-2 on spike structure, conformation, and antigenicity.
Science, 373, 2021
7LYO
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BU of 7lyo by Molmil
South African (B.1.351) SARS-CoV-2 spike protein variant (S-GSAS-B.1.351) in the 1-RBD-up conformation
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
Authors:Gobeil, S, Acharya, P.
Deposit date:2021-03-07
Release date:2021-03-31
Last modified:2022-12-07
Method:ELECTRON MICROSCOPY (3.32 Å)
Cite:Effect of natural mutations of SARS-CoV-2 on spike structure, conformation, and antigenicity.
Science, 373, 2021
7LYP
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BU of 7lyp by Molmil
South African (B.1.351) SARS-CoV-2 spike protein variant (S-GSAS-B.1.351) in the 1-RBD-up conformation
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
Authors:Gobeil, S, Acharya, P.
Deposit date:2021-03-07
Release date:2021-03-31
Last modified:2022-12-07
Method:ELECTRON MICROSCOPY (4.05 Å)
Cite:Effect of natural mutations of SARS-CoV-2 on spike structure, conformation, and antigenicity.
Science, 373, 2021
7LYN
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BU of 7lyn by Molmil
South African (B.1.351) SARS-CoV-2 spike protein variant (S-GSAS-B.1.351) in the 1-RBD-up conformation
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
Authors:Gobeil, S, Acharya, P.
Deposit date:2021-03-07
Release date:2021-03-31
Last modified:2022-12-07
Method:ELECTRON MICROSCOPY (3.32 Å)
Cite:Effect of natural mutations of SARS-CoV-2 on spike structure, conformation, and antigenicity.
Science, 373, 2021
7CBZ
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BU of 7cbz by Molmil
Crystal structure of T2R-TTL-A31 complex
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-[5-[4-[2-[4-(2-cyclopropylethanoyl)piperazin-1-yl]ethoxy]phenyl]pyridin-2-yl]-N-(phenylmethyl)ethanamide, CALCIUM ION, ...
Authors:Yang, J.H, Yan, W.
Deposit date:2020-06-15
Release date:2021-06-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Design, Synthesis, and Bioactivity Evaluation of Dual-Target Inhibitors of Tubulin and Src Kinase Guided by Crystal Structure.
J.Med.Chem., 64, 2021
3L0V
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BU of 3l0v by Molmil
Crystal structure of catalytic domain of TACE with the first hydantoin inhibitor occupying the S1' pocket
Descriptor: (5R)-5-[(5-methoxy-3-oxo-1,3-dihydro-2H-indazol-2-yl)methyl]-5-methylimidazolidine-2,4-dione, Disintegrin and metalloproteinase domain-containing protein 17, ZINC ION
Authors:Orth, P.
Deposit date:2009-12-10
Release date:2010-03-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Discovery and SAR of hydantoin TACE inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
4FF5
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BU of 4ff5 by Molmil
Structure basis of a novel virulence factor GHIP a glycosyl hydrolase 25 of Streptococcus pneumoniae participating in host cell invasion
Descriptor: 1,2-ETHANEDIOL, Glycosyl hydrolase 25
Authors:Wang, D.
Deposit date:2012-05-31
Release date:2013-07-17
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Structural basis of the novel S. pneumoniae virulence factor, GHIP, a glycosyl hydrolase 25 participating in host-cell invasion.
Plos One, 8, 2013
8JEY
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BU of 8jey by Molmil
Cryo-EM structure of alpha-synuclein pS87 fibril
Descriptor: Alpha-synuclein
Authors:Xia, W.C, Sun, Y.P, Liu, C.
Deposit date:2023-05-16
Release date:2024-04-17
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Phosphorylation and O-GlcNAcylation at the same alpha-synuclein site generate distinct fibril structures.
Nat Commun, 15, 2024
8IUM
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BU of 8ium by Molmil
Cryo-EM structure of the tafluprost acid-bound human PTGFR-Gq complex
Descriptor: (~{Z})-7-[(1~{R},2~{R},3~{R},5~{S})-2-[(~{E})-3,3-bis(fluoranyl)-4-phenoxy-but-1-enyl]-3,5-bis(oxidanyl)cyclopentyl]hept-5-enoic acid, Antibody fragment scFv16, G subunit alpha (q), ...
Authors:Wu, C, Xu, Y, Xu, H.E.
Deposit date:2023-03-24
Release date:2023-07-12
Method:ELECTRON MICROSCOPY (3.14 Å)
Cite:Ligand-induced activation and G protein coupling of prostaglandin F 2 alpha receptor.
Nat Commun, 14, 2023
8IUK
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BU of 8iuk by Molmil
Cryo-EM structure of the PGF2-alpha-bound human PTGFR-Gq complex
Descriptor: (Z)-7-[(1R,2R,3R,5S)-3,5-bis(oxidanyl)-2-[(E,3S)-3-oxidanyloct-1-enyl]cyclopentyl]hept-5-enoic acid, Antibody fragment scFv16, G subunit alpha (q), ...
Authors:Wu, C, Xu, Y, Xu, H.E.
Deposit date:2023-03-24
Release date:2023-07-12
Last modified:2023-11-08
Method:ELECTRON MICROSCOPY (2.67 Å)
Cite:Ligand-induced activation and G protein coupling of prostaglandin F 2 alpha receptor.
Nat Commun, 14, 2023
8IUL
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BU of 8iul by Molmil
Cryo-EM structure of the latanoprost-bound human PTGFR-Gq complex
Descriptor: Antibody fragment scFv16, G subunit alpha (q), Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Wu, C, Xu, Y, Xu, H.E.
Deposit date:2023-03-24
Release date:2023-07-12
Last modified:2023-08-30
Method:ELECTRON MICROSCOPY (2.78 Å)
Cite:Ligand-induced activation and G protein coupling of prostaglandin F 2 alpha receptor.
Nat Commun, 14, 2023
8J5Z
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BU of 8j5z by Molmil
The cryo-EM structure of the TwOSC1 tetramer
Descriptor: Terpene cyclase/mutase family member, octyl beta-D-glucopyranoside
Authors:Ma, X, Yuru, T, Yunfeng, L, Jiang, T.
Deposit date:2023-04-24
Release date:2023-11-01
Last modified:2024-01-03
Method:ELECTRON MICROSCOPY (4.75 Å)
Cite:Structural and Catalytic Insight into the Unique Pentacyclic Triterpene Synthase TwOSC.
Angew.Chem.Int.Ed.Engl., 62, 2023
8IXZ
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BU of 8ixz by Molmil
Structure of Acb2 complexed with 3',2'-cGAMP
Descriptor: 3'2'-cGAMP, p26
Authors:Cao, X.L, Xiao, Y, Feng, Y.
Deposit date:2023-04-03
Release date:2024-02-07
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Phage anti-CBASS protein simultaneously sequesters cyclic trinucleotides and dinucleotides.
Mol.Cell, 84, 2024
8IY1
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BU of 8iy1 by Molmil
Structure of Acb2 complexed with cAAG
Descriptor: GUANOSINE-3'-MONOPHOSPHATE, [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate, p26
Authors:Cao, X.L, Xiao, Y, Feng, Y.
Deposit date:2023-04-03
Release date:2024-02-07
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Phage anti-CBASS protein simultaneously sequesters cyclic trinucleotides and dinucleotides.
Mol.Cell, 84, 2024
8IY0
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BU of 8iy0 by Molmil
Structure of Acb2 complexed with cAAA
Descriptor: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate, p26
Authors:Cao, X.L, Xiao, Y, Feng, Y.
Deposit date:2023-04-03
Release date:2024-02-07
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Phage anti-CBASS protein simultaneously sequesters cyclic trinucleotides and dinucleotides.
Mol.Cell, 84, 2024

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