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6YEZ
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Plant PSI-ferredoxin-plastocyanin supercomplex
分子名称: (1~{S})-3,5,5-trimethyl-4-[(1~{E},3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-[(4~{S})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-ol, (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, ...
著者Caspy, I, Nelson, N, Shkolnisky, Y, Klaiman, D, Sheinker, A.
登録日2020-03-25
公開日2020-09-30
最終更新日2024-10-09
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献The structure of a triple complex of plant photosystem I with ferredoxin and plastocyanin.
Nat.Plants, 6, 2020
6YHM
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BU of 6yhm by Molmil
Crystal structure of the C-terminal domain of CNFy from Yersinia pseudotuberculosis
分子名称: Cytotoxic necrotizing factor, MAGNESIUM ION
著者Lukat, P, Gazdag, E.M, Heidler, T.V, Blankenfeldt, W.
登録日2020-03-30
公開日2020-12-30
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.13 Å)
主引用文献Crystal structure of bacterial cytotoxic necrotizing factor CNF Y reveals molecular building blocks for intoxication.
Embo J., 40, 2021
5W6K
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BU of 5w6k by Molmil
Structure of mutant Taq Polymerase incorporating unnatural base pairs Z:P
分子名称: (1R)-1-[6-amino-5-(dihydroxyamino)-2-hydroxypyridin-3-yl]-1,4-anhydro-2-deoxy-5-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-D-erythro-pentitol, DNA (5'-D(*GP*AP*CP*CP*AP*CP*GP*GP*CP*GP*CP*(DOC))-3'), DNA (5'-D(P*(1WA)P*GP*GP*CP*GP*CP*CP*GP*TP*GP*GP*TP*C)-3'), ...
著者Singh, I, Georgiadis, M.M.
登録日2017-06-16
公開日2018-07-18
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.339 Å)
主引用文献Snapshots of an evolved DNA polymerase pre- and post-incorporation of an unnatural nucleotide.
Nucleic Acids Res., 46, 2018
6SND
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BU of 6snd by Molmil
crystal structure of LN01 Fab in complex with an HIV-1 gp41 peptide
分子名称: 1,2-DICAPROYL-SN-PHOSPHATIDYL-L-SERINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp160, ...
著者Caillat, C, Pinto, D, Corti, D, Fenwick, C, Pantaleo, G, Weissenhorn, W.
登録日2019-08-23
公開日2019-11-06
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structural Basis for Broad HIV-1 Neutralization by the MPER-Specific Human Broadly Neutralizing Antibody LN01.
Cell Host Microbe, 26, 2019
6YIV
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BU of 6yiv by Molmil
Trypsin inhibitor in complex with bovine trypsin
分子名称: Cationic trypsin, DIMETHYL SULFOXIDE, SULFATE ION, ...
著者Badran, M.J, Heine, A, Klebe, G.
登録日2020-04-01
公開日2020-12-02
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (0.95 Å)
主引用文献Trypsin inhibitor in complex with bovine trypsin
To Be Published
6YKZ
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BU of 6ykz by Molmil
Crystal structure of YTHDC1 with compound DHU_DC1_234
分子名称: SULFATE ION, YTHDC1, ~{N}-methyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxamide
著者Bedi, R.K, Huang, D, Wiedmer, L, Caflisch, A.
登録日2020-04-06
公開日2020-07-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Structure-based design of ligands of the m6A-RNA reader YTHDC1
Eur J Med Chem Rep, 5, 2022
6N17
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BU of 6n17 by Molmil
Crystal structure of Tdp1 catalytic domain in complex with compound XZ577
分子名称: 1,2-ETHANEDIOL, 4-[(3-carboxypropanoyl)amino]benzene-1,2-dicarboxylic acid, DIMETHYL SULFOXIDE, ...
著者Lountos, G.T, Zhao, X.Z, Kiselev, E, Tropea, J.E, Needle, D, Burke Jr, T.R, Pommier, Y, Waugh, D.S.
登録日2018-11-08
公開日2019-07-03
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.639 Å)
主引用文献Identification of a ligand binding hot spot and structural motifs replicating aspects of tyrosyl-DNA phosphodiesterase I (TDP1) phosphoryl recognition by crystallographic fragment cocktail screening.
Nucleic Acids Res., 47, 2019
5VY2
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BU of 5vy2 by Molmil
Crystal structure of the F36A mutant of HsNUDT16
分子名称: SODIUM ION, U8 snoRNA-decapping enzyme
著者Thirawatananond, P, Gabelli, S.B.
登録日2017-05-24
公開日2018-11-21
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural analyses of NudT16-ADP-ribose complexes direct rational design of mutants with improved processing of poly(ADP-ribosyl)ated proteins.
Sci Rep, 9, 2019
6N3H
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BU of 6n3h by Molmil
Crystal structure of Kelch domain of the human NS1 binding protein
分子名称: Influenza virus NS1A-binding protein
著者Zhang, K, Shang, G, Padavannil, A, Fontoura, B.M.A, Chook, Y.M.
登録日2018-11-15
公開日2018-12-12
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural-functional interactions of NS1-BP protein with the splicing and mRNA export machineries for viral and host gene expression.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6SVA
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BU of 6sva by Molmil
Multicrystal structure of equine Haemoglobin at room temperature using a multilayer monochromator.
分子名称: Hemoglobin subunit alpha, Hemoglobin subunit beta, PROTOPORPHYRIN IX CONTAINING FE
著者Sandy, J, Sanchez-Weatherby, J, Mikolajek, H, Lewis, G, Angus, R.
登録日2019-09-18
公開日2019-11-20
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Protein-to-structure pipeline for ambient-temperature crystallography at VMXi
Iucrj, 2023
5VY9
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BU of 5vy9 by Molmil
S. cerevisiae Hsp104:casein complex, Middle Domain Conformation
分子名称: Alpha-S1-casein, Heat shock protein 104, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER
著者Gates, S.N, Yokom, A.L, Lin, J.-B, Jackrel, M.E, Rizo, A.N, Kendsersky, N.M, Buell, C.E, Sweeny, E.A, Chuang, E, Torrente, M.P, Mack, K.L, Su, M, Shorter, J, Southworth, D.R.
登録日2017-05-24
公開日2017-07-19
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (6.7 Å)
主引用文献Ratchet-like polypeptide translocation mechanism of the AAA+ disaggregase Hsp104.
Science, 357, 2017
6LQC
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BU of 6lqc by Molmil
Crystal structure of Cyclohexylamine Oxidase from Erythrobacteraceae bacterium
分子名称: Cyclohexylamine Oxidase, FLAVIN-ADENINE DINUCLEOTIDE
著者Huang, Z.D.
登録日2020-01-13
公開日2020-05-20
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Asymmetric Synthesis of a Key Dextromethorphan Intermediate and Its Analogues Enabled by a New Cyclohexylamine Oxidase: Enzyme Discovery, Reaction Development, and Mechanistic Insight.
J.Org.Chem., 85, 2020
6YRY
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BU of 6yry by Molmil
tRNA-Guanine Transglycosylase (TGT) H333A mutant crystallised at pH 5.5
分子名称: GLYCEROL, Queuine tRNA-ribosyltransferase, ZINC ION
著者Nguyen, A, Heine, A, Klebe, G.
登録日2020-04-20
公開日2020-04-29
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Mutation study on tRNA-guanine transglycosylase for catalysis testing
To Be Published
6XZZ
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BU of 6xzz by Molmil
Crystal structure of the BCL6 BTB domain in complex with the NCoR1 BBD2 peptide
分子名称: B-cell lymphoma 6 protein, CHLORIDE ION, Nuclear receptor corepressor 1, ...
著者Zacharchenko, T, Wright, S.C.
登録日2020-02-05
公開日2020-12-02
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.39 Å)
主引用文献Functionalization of the BCL6 BTB domain into a noncovalent crystallization chaperone.
Iucrj, 8, 2021
6LYB
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BU of 6lyb by Molmil
PylRS C-terminus domain mutant in complex with 3-Benzothienyl-D-alanine and AMPNP
分子名称: (2R)-2-azanyl-3-(1-benzothiophen-3-yl)propanoic acid, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
著者Weng, J.H, Tsai, M.D, Wang, Y.S.
登録日2020-02-13
公開日2020-07-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.90366471 Å)
主引用文献Probing the Active Site of Deubiquitinase USP30 with Noncanonical Tryptophan Analogues.
Biochemistry, 59, 2020
6LZJ
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BU of 6lzj by Molmil
Aquifex aeolicus MutL ATPase domain complexed with AMPPCP
分子名称: DNA mismatch repair protein MutL, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER
著者Fukui, K, Izuhara, K, Yano, T.
登録日2020-02-19
公開日2020-07-01
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.72835565 Å)
主引用文献A Lynch syndrome-associated mutation at a Bergerat ATP-binding fold destabilizes the structure of the DNA mismatch repair endonuclease MutL.
J.Biol.Chem., 295, 2020
6YHE
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BU of 6yhe by Molmil
tRNA-Guanine Transglycosylase (TGT) labeled with 5-fluorotryptophan in co-crystallized complex with 6-amino-4-(2-((3aR,4R,6R,6aR)-6-methoxy-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl)ethyl)-2-(methylamino)-1H-imidazo[4,5-g]quinazolin-8(7H)-one
分子名称: 4-[2-[(3~{a}~{R},4~{R},6~{R},6~{a}~{R})-4-methoxy-2,2-dimethyl-3~{a},4,6,6~{a}-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]ethyl]-6-azanyl-2-(methylamino)-1,7-dihydroimidazo[4,5-g]quinazolin-8-one, Queuine tRNA-ribosyltransferase, ZINC ION
著者Nguyen, A, Heine, A, Klebe, G.
登録日2020-03-29
公開日2020-04-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Co-crystallization, 19F NMR and nanoESI-MS reveal dimer disturbing inhibitors and conformational changes at dimer contacts
To Be Published
6SLI
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BU of 6sli by Molmil
Structure of the RagAB peptide transporter
分子名称: (1R,4S,6R)-6-({[2-(ACETYLAMINO)-2-DEOXY-ALPHA-D-GLUCOPYRANOSYL]OXY}METHYL)-4-HYDROXY-1-{[(15-METHYLHEXADECANOYL)OXY]METHYL}-4-OXIDO-7-OXO-3,5-DIOXA-8-AZA-4-PHOSPHAHEPTACOS-1-YL 15-METHYLHEXADECANOATE, (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, ALA-SER-THR-THR-GLY-GLY-ASN-SER-GLN-ARG-GLY-SER-GLY, ...
著者Madej, M, Ranson, N.A, White, J.B.R.
登録日2019-08-19
公開日2020-05-20
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.38 Å)
主引用文献Structural and functional insights into oligopeptide acquisition by the RagAB transporter from Porphyromonas gingivalis.
Nat Microbiol, 5, 2020
6Y97
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BU of 6y97 by Molmil
Structure of full-length CD20 in complex with Obinutuzumab Fab
分子名称: B-lymphocyte antigen CD20, Obinutuzumab Fab heavy chain, Obinutuzumab Fab light chain
著者Kumar, A, Reyes, N.
登録日2020-03-06
公開日2020-08-26
最終更新日2024-10-16
実験手法ELECTRON MICROSCOPY (4.33 Å)
主引用文献Binding mechanisms of therapeutic antibodies to human CD20.
Science, 369, 2020
6YIW
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BU of 6yiw by Molmil
Trypsin inhibitor in complex with bovine trypsin
分子名称: 1H-isoindol-3-amine, CALCIUM ION, Cationic trypsin, ...
著者Badran, M.J, Heine, A, Klebe, G.
登録日2020-04-01
公開日2020-12-02
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (0.97 Å)
主引用文献Trypsin inhibitor in complex with bovine trypsin
To Be Published
6YBV
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BU of 6ybv by Molmil
Structure of a human 48S translational initiation complex - eIF2-TC
分子名称: Eukaryotic translation initiation factor 2 subunit 1, Eukaryotic translation initiation factor 2 subunit 2, Eukaryotic translation initiation factor 2 subunit 3, ...
著者Brito Querido, J, Sokabe, M, Kraatz, S, Gordiyenko, Y, Skehel, M, Fraser, C, Ramakrishnan, V.
登録日2020-03-17
公開日2020-09-16
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Structure of a human 48Stranslational initiation complex.
Science, 369, 2020
6M62
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BU of 6m62 by Molmil
Cryo-Em structure of eukaryotic pre-60S ribosome subunit from Saccharomyces cerevisiae rpf2 delta 255-344 strain, C4 state.
分子名称: 60S ribosomal protein L11-A, 60S ribosomal protein L13-A, 60S ribosomal protein L14-A, ...
著者Li, Y, Micic, J.
登録日2020-03-12
公開日2020-08-26
最終更新日2024-10-16
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Coupling of 5S RNP rotation with maturation of functional centers during large ribosomal subunit assembly.
Nat Commun, 11, 2020
6SS3
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BU of 6ss3 by Molmil
Kemp Eliminase HG3.17 mutant Q50K, E47N, N300D Complexed with Transition State Analog 6-Nitrobenzotriazole
分子名称: 6-NITROBENZOTRIAZOLE, GLYCEROL, Kemp Eliminase HG3.17 Q50K, ...
著者Bloch, J.S, Pinkas, D.M, Hilvert, D.
登録日2019-09-06
公開日2020-04-01
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Contribution of Oxyanion Stabilization to Kemp Eliminase Efficiencyproficiency
Acs Catalysis, 2020
7KFN
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BU of 7kfn by Molmil
Structure of Human Adenosine Deaminase Acting on dsRNA (ADAR2) bound to dsRNA containing a 2'-deoxy Benner's Base Z opposite the edited base
分子名称: Double-stranded RNA-specific editase 1, Gli1 1W5 23mer RNA, Gli1 8AZ 23mer RNA, ...
著者Wilcox, X.E, Fisher, A.J, Beal, P.A.
登録日2020-10-14
公開日2021-06-16
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Rational Design of RNA Editing Guide Strands: Cytidine Analogs at the Orphan Position.
J.Am.Chem.Soc., 143, 2021
6SJ5
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BU of 6sj5 by Molmil
Crystal structure of the uL14-RsfS complex from Staphylococcus aureus
分子名称: 50S ribosomal protein L14, ACETIC ACID, PHOSPHATE ION, ...
著者Fatkhullin, B, Gabdulkhakov, A, Yusupova, G, Yusupov, M.
登録日2019-08-12
公開日2020-04-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.26686549 Å)
主引用文献Mechanism of ribosome shutdown by RsfS in Staphylococcus aureus revealed by integrative structural biology approach.
Nat Commun, 11, 2020

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