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8D6X
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Structure of the Mycobacterium tuberculosis 20S proteasome bound to the ATP-bound Mpa ATPase
分子名称: AAA ATPase forming ring-shaped complexes, Proteasome subunit alpha, Proteasome subunit beta, ...
著者Xiao, X, Li, H.
登録日2022-06-06
公開日2022-08-03
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献The beta-Grasp Domain of Proteasomal ATPase Mpa Makes Critical Contacts with the Mycobacterium tuberculosis 20S Core Particle to Facilitate Degradation.
Msphere, 7, 2022
6DHI
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BU of 6dhi by Molmil
Butelase 1: Auto-Catalytic Cleavage as an Evolutionary Constraint for Macrocyclizing Endopeptidases
分子名称: Asparaginyl endopeptidase
著者Bond, C.S, Haywood, J.
登録日2018-05-20
公開日2018-08-15
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献The macrocyclizing protease butelase 1 remains autocatalytic and reveals the structural basis for ligase activity.
Plant J., 98, 2019
6DLO
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BU of 6dlo by Molmil
Crystal structure of LRRK2 WD40 domain dimer
分子名称: Leucine-rich repeat serine/threonine-protein kinase 2
著者Zhang, P, Ru, H, Wang, L, Wu, H.
登録日2018-06-02
公開日2019-01-09
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structure of the WD40 domain dimer of LRRK2.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
6TGG
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BU of 6tgg by Molmil
scFv-1SM3 in complex with glycopeptide containing an sp2-imino sugar
分子名称: 1,2-ETHANEDIOL, Mucin-1, ScFv_SM3, ...
著者Bermejo, I.A, Navo, C.D, Castro-Lopez, J, Samchez-Fernandez, E.M, Guerreiro, A, Avenoza, A, Busto, J.H, Garcia-Martin, F, Nishimura, S.I, Garcia-Fernandez, J.M, Ortiz-Mellet, C, Bernardes, G.J.L, Hurtado-Guerrero, R, Peregrina, J.M, Corzana, F.
登録日2019-11-15
公開日2020-04-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Synthesis, conformational analysis and in vivo assays of an anti-cancer vaccine that features an unnatural antigen based on an sp 2 -iminosugar fragment.
Chem Sci, 11, 2020
6DTI
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BU of 6dti by Molmil
Structure of the Thermus thermophilus 30S ribosomal subunit complexed with an unmodifed anticodon stem loop (ASL) of Escherichia coli transfer RNA Arginine 2 (TRNAARG2) bound to an mRNA with an CGU-codon in the A-site and paromomycin
分子名称: 16s rRNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ...
著者Cantara, W.A, DeMirci, H, Agris, P.F.
登録日2018-06-16
公開日2019-04-24
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.54 Å)
主引用文献A Structural Basis for Restricted Codon Recognition Mediated by 2-thiocytidine in tRNA Containing a Wobble Position Inosine.
J.Mol.Biol., 432, 2020
6TP8
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BU of 6tp8 by Molmil
Substrate protein interactions in the limbus region of the catalytic site of Candida antarctica Lipase B
分子名称: 2,3-di(butanoyloxy)propyl butanoate, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DIETHYL PHOSPHONATE, ...
著者Cianci, M, Silvestrini, L.
登録日2019-12-12
公開日2020-05-20
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Principles of lipid-enzyme interactions in the limbus region of the catalytic site of Candida antarctica Lipase B.
Int.J.Biol.Macromol., 158, 2020
6DUE
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BU of 6due by Molmil
Toxoplasma gondii MyoA, a Class-XIV myosin, in the pre-powerstroke state
分子名称: ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ...
著者Powell, C.J, Boulanger, M.J.
登録日2018-06-20
公開日2018-10-31
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural and mechanistic insights into the function of the unconventional class XIV myosin MyoA fromToxoplasma gondii.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6TXF
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BU of 6txf by Molmil
Crystal structure of tetrameric human D137N-SAMHD1 (residues 109-626) with XTP, dAMPNPP and Mn
分子名称: 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]adenosine, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, FE (III) ION, ...
著者Morris, E.R, Kunzelmann, S, Caswell, S.J, Arnold, L.H, Purkiss, A.G, Kelly, G, Taylor, I.A.
登録日2020-01-14
公開日2020-06-24
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Crystal structures of SAMHD1 inhibitor complexes reveal the mechanism of water-mediated dNTP hydrolysis.
Nat Commun, 11, 2020
6E08
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BU of 6e08 by Molmil
Crystal structure of G6PD in complex with structural NADP
分子名称: GLYCEROL, Glucose-6-phosphate 1-dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Rahighi, S, Mochly Rosen, D, Wakatsuki, S.
登録日2018-07-06
公開日2018-07-25
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Correcting glucose-6-phosphate dehydrogenase deficiency with a small-molecule activator.
Nat Commun, 9, 2018
6E07
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BU of 6e07 by Molmil
Crystal structure of Canton G6PD in complex with structural NADP
分子名称: GLYCEROL, Glucose-6-phosphate 1-dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Rahighi, S, Mochly-Rosen, D, Wakatsuki, S.
登録日2018-07-06
公開日2018-07-25
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Correcting glucose-6-phosphate dehydrogenase deficiency with a small-molecule activator.
Nat Commun, 9, 2018
6E0Y
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BU of 6e0y by Molmil
A131Q mutant of cyt P460 of Nitrosomonas sp. AL212 with bound NH2OH
分子名称: Cytochrome P460, HEME C, HYDROXYAMINE
著者Smith, M, Lancaster, K.
登録日2018-07-07
公開日2019-02-27
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.257 Å)
主引用文献Controlling a burn: outer-sphere gating of hydroxylamine oxidation by a distal base in cytochrome P460.
Chem Sci, 10, 2019
6UHX
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BU of 6uhx by Molmil
Crystal structure of YIR035C short chain dehydrogenases/reductase from Saccharomyces cerevisiae
分子名称: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Uncharacterized oxidoreductase YIR035C
著者Stogios, P.J, Skarina, T, Chen, C, Kagan, O, Iakounine, A, Savchenko, A.
登録日2019-09-29
公開日2020-08-05
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Crystal structure of YIR035C short chain dehydrogenases/reductase from Saccharomyces cerevisiae
To Be Published
6E0Z
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BU of 6e0z by Molmil
A131Q mutant of cyt P460 of Nitrosomonas sp. AL212
分子名称: Cytochrome P460, HEME C
著者Smith, M, Lancaster, K.
登録日2018-07-07
公開日2019-02-27
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Controlling a burn: outer-sphere gating of hydroxylamine oxidation by a distal base in cytochrome P460.
Chem Sci, 10, 2019
6U8X
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BU of 6u8x by Molmil
Crystal structure of DNMT3B-DNMT3L in complex with CpApG DNA
分子名称: CpApG DNA (25-MER), DNA (cytosine-5)-methyltransferase 3-like, DNA (cytosine-5)-methyltransferase 3B, ...
著者Gao, L, Song, J.
登録日2019-09-06
公開日2020-06-10
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.95063877 Å)
主引用文献Comprehensive structure-function characterization of DNMT3B and DNMT3A reveals distinctive de novo DNA methylation mechanisms.
Nat Commun, 11, 2020
6TX0
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BU of 6tx0 by Molmil
Crystal structure of tetrameric human D137N-SAMHD1 (residues 109-626) with XTP, dAMPNPP and Mg
分子名称: 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]adenosine, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, FE (III) ION, ...
著者Morris, E.R, Kunzelmann, S, Caswell, S.J, Arnold, L.H, Purkiss, A.G, Kelly, G, Taylor, I.A.
登録日2020-01-13
公開日2020-06-24
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Crystal structures of SAMHD1 inhibitor complexes reveal the mechanism of water-mediated dNTP hydrolysis.
Nat Commun, 11, 2020
6E17
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BU of 6e17 by Molmil
A131E mutant of cyt P460 of Nitrosomonas sp. AL212 with NO bound
分子名称: Cytochrome P460, HEME C, NITRIC OXIDE
著者Smith, M, Lancaster, K.
登録日2018-07-09
公開日2019-02-27
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Controlling a burn: outer-sphere gating of hydroxylamine oxidation by a distal base in cytochrome P460.
Chem Sci, 10, 2019
6E0X
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BU of 6e0x by Molmil
A131E mutant of cyt P460 of Nitrosomonas sp. AL212
分子名称: Cytochrome P460, HEME C
著者Smith, M, Lancaster, K.
登録日2018-07-07
公開日2019-02-27
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.974 Å)
主引用文献Controlling a burn: outer-sphere gating of hydroxylamine oxidation by a distal base in cytochrome P460.
Chem Sci, 10, 2019
8E18
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BU of 8e18 by Molmil
Crystal structure of apo TnmK1
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Secreted hydrolase
著者Liu, Y.-C, Gui, C, Shen, B.
登録日2022-08-10
公開日2022-11-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.14 Å)
主引用文献Intramolecular C-C Bond Formation Links Anthraquinone and Enediyne Scaffolds in Tiancimycin Biosynthesis.
J.Am.Chem.Soc., 144, 2022
8E19
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BU of 8e19 by Molmil
Crystal structure of TnmK1 complexed with TNM H
分子名称: (1R,8S,13S)-8-[(4-hydroxy-9,10-dioxo-9,10-dihydroanthracen-1-yl)amino]-12-methoxy-10-methylbicyclo[7.3.1]trideca-9,11-diene-2,6-diyne-13-carbaldehyde, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, SUCCINIC ACID, ...
著者Liu, Y.-C, Gui, C, Shen, B.
登録日2022-08-10
公開日2022-11-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Intramolecular C-C Bond Formation Links Anthraquinone and Enediyne Scaffolds in Tiancimycin Biosynthesis.
J.Am.Chem.Soc., 144, 2022
6E62
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BU of 6e62 by Molmil
Crystal structure of malaria transmission-blocking antigen Pfs48/45 6C in complex with antibody 85RF45.1
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 85RF45.1 Fab heavy chain, 85RF45.1 Fab light chain, ...
著者Kundu, P, Semesi, A, Julien, J.P.
登録日2018-07-23
公開日2018-11-28
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural delineation of potent transmission-blocking epitope I on malaria antigen Pfs48/45.
Nat Commun, 9, 2018
6E63
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BU of 6e63 by Molmil
Crystal structure of malaria transmission-blocking antigen Pfs48/45 6C in complex with antibody TB31F
分子名称: GLYCEROL, Pf48/45, TB31F Fab heavy chain, ...
著者Kundu, P, Semesi, A, Julien, J.P.
登録日2018-07-23
公開日2018-11-28
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural delineation of potent transmission-blocking epitope I on malaria antigen Pfs48/45.
Nat Commun, 9, 2018
6E6Y
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BU of 6e6y by Molmil
Dieckmann cyclase, NcmC
分子名称: Dieckmann cyclase, NcmC, SULFATE ION
著者Cogan, D.P, Nair, S.K.
登録日2018-07-25
公開日2019-07-31
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural Basis for Enzymatic Off-Loading of Hybrid Polyketides by Dieckmann Condensation.
Acs Chem.Biol., 2020
6UK2
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BU of 6uk2 by Molmil
Complex of T cell Receptor with HHAT Wild Type Peptide KQWLVWLLL Presented by HLA-A206
分子名称: 302 TIL T cell receptor alpha chain, 302 TIL T cell receptor beta chain, Beta-2-microglobulin, ...
著者Devlin, J.R, Baker, B.M.
登録日2019-10-04
公開日2020-08-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.138808 Å)
主引用文献Structural dissimilarity from self drives neoepitope escape from immune tolerance.
Nat.Chem.Biol., 16, 2020
6UJO
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BU of 6ujo by Molmil
HHAT L75F Neoantigen Peptide KQWLVWLFL Presented by HLA-A206
分子名称: Beta-2-microglobulin, MHC class I antigen, Protein-cysteine N-palmitoyltransferase HHAT
著者Devlin, J.R, Baker, B.M, Vander Kooi, C.
登録日2019-10-03
公開日2020-08-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structural dissimilarity from self drives neoepitope escape from immune tolerance.
Nat.Chem.Biol., 16, 2020
6U60
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BU of 6u60 by Molmil
Crystal structure of prephenate dehydrogenase tyrA from Bacillus anthracis in complex with NAD and L-tyrosine
分子名称: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, PHOSPHATE ION, Prephenate dehydrogenase, ...
著者Shabalin, I.G, Hou, J, Kutner, J, Grimshaw, S, Christendat, D, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2019-08-28
公開日2019-09-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural and biochemical analysis of Bacillus anthracis prephenate dehydrogenase reveals an unusual mode of inhibition by tyrosine via the ACT domain.
Febs J., 287, 2020

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