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2ZWA
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BU of 2zwa by Molmil
Crystal structure of tRNA wybutosine synthesizing enzyme TYW4
Descriptor: 1,2-ETHANEDIOL, CITRIC ACID, Leucine carboxyl methyltransferase 2, ...
Authors:Suzuki, Y, Noma, A, Suzuki, T, Ishitani, R, Nureki, O.
Deposit date:2008-12-01
Release date:2009-06-02
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural basis of tRNA modification with CO2 fixation and methylation by wybutosine synthesizing enzyme TYW4.
Nucleic Acids Res., 37, 2009
7BPG
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BU of 7bpg by Molmil
Structure of serinol nucleic acid - RNA complex
Descriptor: CALCIUM ION, RNA (5'-R(*GP*CP*UP*GP*CP*(5BU)P*GP*C)-3'), SNA (S-(F7R)(F7X)(F7O)(F7R)(F7X)(F7O)(F7R)(F7U)-R)
Authors:Kamiya, Y, Satoh, T, Kodama, A, Suzuki, T, Uchiyama, S, Kato, K, Asanuma, H.
Deposit date:2020-03-22
Release date:2020-11-25
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Intrastrand backbone-nucleobase interactions stabilize unwound right-handed helical structures of heteroduplexes of L-aTNA/RNA and SNA/RNA
Commun Chem, 2020
7BPF
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BU of 7bpf by Molmil
Structure of L-threoninol nucleic acid - RNA complex
Descriptor: L-aTNA (3'-(*GP*CP*AP*GP*CP*AP*GP*C)-1'), RNA (5'-R(*GP*CP*UP*GP*CP*(5BU)P*GP*C)-3')
Authors:Kamiya, Y, Satoh, T, Kodama, A, Suzuki, T, Uchiyama, S, Kato, K, Asanuma, H.
Deposit date:2020-03-22
Release date:2020-11-25
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Intrastrand backbone-nucleobase interactions stabilize unwound right-handed helical structures of heteroduplexes of L-aTNA/RNA and SNA/RNA
Commun Chem, 2020
3VUO
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BU of 3vuo by Molmil
Crystal structure of nontoxic nonhemagglutinin subcomponent (NTNHA) from clostridium botulinum serotype D strain 4947
Descriptor: NTNHA
Authors:Sagane, Y, Miyashita, S.-I, Miyata, K, Matsumoto, T, Inui, K, Hayashi, S, Suzuki, T, Hasegawa, K, Yajima, S, Yamano, A, Niwa, K, Watanabe, T.
Deposit date:2012-07-03
Release date:2012-09-19
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (3.9 Å)
Cite:Small-angle X-ray scattering reveals structural dynamics of the botulinum neurotoxin associating protein, nontoxic nonhemagglutinin
Biochem.Biophys.Res.Commun., 425, 2012
7DUA
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BU of 7dua by Molmil
Crystal structure of human Proto-oncogene tyrosine-protein kinase receptor Ret in complex with 4-amino-7-(1-methylcyclopropyl)-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,3-d]pyrimidine-5-carboxamide
Descriptor: 4-azanyl-7-(1-methylcyclopropyl)-~{N}-(5-methyl-1~{H}-pyrazol-3-yl)pyrrolo[2,3-d]pyrimidine-5-carboxamide, Proto-oncogene tyrosine-protein kinase receptor Ret
Authors:Miyazaki, I, Ishida, K, Suzuki, T.
Deposit date:2021-01-08
Release date:2022-01-12
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Selective RET inhibitor TAS0953/HM06
To be published
7DU9
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BU of 7du9 by Molmil
Crystal structure of human Proto-oncogene tyrosine-protein kinase receptor Ret in complex with Pralsetinib
Descriptor: Pralsetinib, Proto-oncogene tyrosine-protein kinase receptor Ret
Authors:Miyazaki, I, Ishida, K, Suzuki, T.
Deposit date:2021-01-08
Release date:2022-01-12
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Selective RET inhibitor TAS0953/HM06
To be published
7DU8
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BU of 7du8 by Molmil
Crystal structure of human Proto-oncogene tyrosine-protein kinase receptor Ret in complex with Selpercatinib
Descriptor: Proto-oncogene tyrosine-protein kinase receptor Ret, Selpercatinib
Authors:Miyazaki, I, Ishida, K, Suzuki, T.
Deposit date:2021-01-08
Release date:2022-02-02
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Selective RET inhibitor TAS0953/HM06
To be published
3VUN
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BU of 3vun by Molmil
Crystal structure of a influenza A virus (A/Aichi/2/1968 H3N2) hemagglutinin in C2 space group.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1 chain, ...
Authors:Yasutake, Y, Suzuki, T, Kawaguchi, A, Nobusawa, E.
Deposit date:2012-07-02
Release date:2012-08-01
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal structure of a influenza A virus (A/Aichi/2/1968 H3N2) hemagglutinin in C2 space group
To be Published
7F5S
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BU of 7f5s by Molmil
human delta-METTL18 60S ribosome
Descriptor: 28S rRNA, 5.8S rRNA, 5S rRNA, ...
Authors:Takahashi, M, Kashiwagi, K, Ito, T.
Deposit date:2021-06-22
Release date:2022-06-22
Method:ELECTRON MICROSCOPY (2.72 Å)
Cite:METTL18-mediated histidine methylation of RPL3 modulates translation elongation for proteostasis maintenance.
Elife, 11, 2022
4V7N
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BU of 4v7n by Molmil
Glycocyamine kinase, beta-beta homodimer from marine worm Namalycastis sp., with transition state analog Mg(II)-ADP-NO3-glycocyamine.
Descriptor: ADENOSINE-5'-DIPHOSPHATE, GUANIDINO ACETATE, Glycocyamine kinase beta chain, ...
Authors:Lim, K, Pullalarevu, S, Herzberg, O.
Deposit date:2009-12-15
Release date:2014-07-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis for the mechanism and substrate specificity of glycocyamine kinase, a phosphagen kinase family member.
Biochemistry, 49, 2010
8DOX
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BU of 8dox by Molmil
Crystal structure of SARS-CoV-2 main protease in complex with an inhibitor TKB-245
Descriptor: (1R,2S,5S)-N-{(1S,2S)-1-(4-fluoro-1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE
Authors:Bulut, H, Hayashi, H, Tsuji, K, Kuwata, N, Das, D, Tamamura, H, Mitsuya, H.
Deposit date:2022-07-14
Release date:2022-09-21
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Identification of SARS-CoV-2 M pro inhibitors containing P1' 4-fluorobenzothiazole moiety highly active against SARS-CoV-2.
Nat Commun, 14, 2023
8DPR
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BU of 8dpr by Molmil
Crystal structure of SARS-CoV-2 main protease in complex with inhibitor TKB-248
Descriptor: 2,2,2-trifluoro-N-{(2S)-1-[(1R,2S,5S)-2-({(2S)-1-(4-fluoro-1,3-benzothiazol-2-yl)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}carbamothioyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl}acetamide, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, ...
Authors:Bulut, H, Hayashi, H, Tsuji, K, Kuwata, N, Das, D, Tamamura, H, Mitsuya, H.
Deposit date:2022-07-16
Release date:2022-08-24
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Identification of SARS-CoV-2 M pro inhibitors containing P1' 4-fluorobenzothiazole moiety highly active against SARS-CoV-2.
Nat Commun, 14, 2023
7QVP
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BU of 7qvp by Molmil
Human collided disome (di-ribosome) stalled on XBP1 mRNA
Descriptor: 18S ribosomal RNA, 28S ribosomal RNA, 40S ribosomal protein S10, ...
Authors:Denk, T.G, Tesina, P, Beckmann, R.
Deposit date:2022-01-22
Release date:2022-10-12
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (3 Å)
Cite:A distinct mammalian disome collision interface harbors K63-linked polyubiquitination of uS10 to trigger hRQT-mediated subunit dissociation.
Nat Commun, 13, 2022
3S7T
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BU of 3s7t by Molmil
Crystal structure of SeMet B. licheniformis CDPS YvmC-Blic
Descriptor: Putative uncharacterized protein yvmC
Authors:Bonnefond, L, Ishitani, R, Nureki, O.
Deposit date:2011-05-26
Release date:2011-06-22
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.808 Å)
Cite:Structural basis for nonribosomal peptide synthesis by an aminoacyl-tRNA synthetase paralog.
Proc.Natl.Acad.Sci.USA, 108, 2011
3L2D
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BU of 3l2d by Molmil
Glycocyamine kinase, beta-beta homodimer from marine worm Namalycastis sp.
Descriptor: Glycocyamine kinase beta chain
Authors:Lim, K, Pullalarevu, S, Herzberg, O.
Deposit date:2009-12-15
Release date:2010-03-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural basis for the mechanism and substrate specificity of glycocyamine kinase, a phosphagen kinase family member.
Biochemistry, 49, 2010
3L2E
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BU of 3l2e by Molmil
Glycocyamine kinase, alpha-beta heterodimer from marine worm Namalycastis sp.
Descriptor: Glycocyamine kinase alpha chain, Glycocyamine kinase beta chain
Authors:Lim, K, Pullalarevu, S, Herzberg, O.
Deposit date:2009-12-15
Release date:2010-03-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural basis for the mechanism and substrate specificity of glycocyamine kinase, a phosphagen kinase family member.
Biochemistry, 49, 2010
6HSG
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BU of 6hsg by Molmil
Crystal structure of Schistosoma mansoni HDAC8 H292M mutant complexed with NCC-149
Descriptor: DIMETHYLFORMAMIDE, GLYCEROL, Histone deacetylase, ...
Authors:Shaik, T.B, Marek, M, Romier, C.
Deposit date:2018-10-01
Release date:2018-10-31
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.846 Å)
Cite:Characterization of Histone Deacetylase 8 (HDAC8) Selective Inhibition Reveals Specific Active Site Structural and Functional Determinants.
J. Med. Chem., 61, 2018
8GZC
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BU of 8gzc by Molmil
Crystal structure of EP300 HAT domain in complex with compound 10
Descriptor: (2~{R},4~{R})-4-fluoranyl-1-[1-(4-methoxyphenyl)cyclohexyl]carbonyl-~{N}-(1~{H}-pyrazolo[4,3-b]pyridin-5-yl)pyrrolidine-2-carboxamide, Histone acetyltransferase p300, ZINC ION
Authors:Takahashi, M, Hanzawa, H.
Deposit date:2022-09-26
Release date:2023-01-11
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of DS-9300: A Highly Potent, Selective, and Once-Daily Oral EP300/CBP Histone Acetyltransferase Inhibitor.
J.Med.Chem., 66, 2023
3SIX
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BU of 3six by Molmil
Crystal structure of NodZ alpha-1,6-fucosyltransferase soaked with GDP-fucose
Descriptor: CHLORIDE ION, GUANOSINE-5'-DIPHOSPHATE, Nodulation fucosyltransferase NodZ, ...
Authors:Brzezinski, K, Dauter, Z, Jaskolski, M.
Deposit date:2011-06-20
Release date:2012-02-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structures of NodZ alpha-1,6-fucosyltransferase in complex with GDP and GDP-fucose
Acta Crystallogr.,Sect.D, 68, 2012
3SIW
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BU of 3siw by Molmil
Crystal structure of NodZ alpha-1,6-fucosyltransferase co-crystallized with GDP
Descriptor: GUANOSINE-5'-DIPHOSPHATE, Nodulation fucosyltransferase NodZ, PHOSPHATE ION
Authors:Brzezinski, K, Dauter, Z, Jaskolski, M.
Deposit date:2011-06-20
Release date:2012-02-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Structures of NodZ alpha-1,6-fucosyltransferase in complex with GDP and GDP-fucose
Acta Crystallogr.,Sect.D, 68, 2012
5XVR
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BU of 5xvr by Molmil
EarP bound with dTDP-rhamnose (co-crystal)
Descriptor: 2'-DEOXY-THYMIDINE-BETA-L-RHAMNOSE, EarP, SULFATE ION
Authors:Sengoku, T, Yokoyama, S, Yanagisawa, T.
Deposit date:2017-06-28
Release date:2018-02-28
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Structural basis of protein arginine rhamnosylation by glycosyltransferase EarP
Nat. Chem. Biol., 14, 2018
5XI8
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BU of 5xi8 by Molmil
Structure and function of the TPR domain
Descriptor: Beta-barrel assembly-enhancing protease
Authors:Tanaka, Y, Tsukazaki, T.
Deposit date:2017-04-26
Release date:2017-10-18
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The TPR domain of BepA is required for productive interaction with substrate proteins and the beta-barrel assembly machinery complex.
Mol. Microbiol., 106, 2017
7F4V
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BU of 7f4v by Molmil
Cryo-EM structure of a primordial cyanobacterial photosystem I
Descriptor: 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, BETA-CAROTENE, ...
Authors:Kato, K, Hamaguchi, T, Nagao, R, Kawakami, K, Yonekura, K, Shen, J.R.
Deposit date:2021-06-21
Release date:2022-04-06
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (2.04 Å)
Cite:Structural basis for the absence of low-energy chlorophylls responsible for photoprotection from a primitive cyanobacterial PSI
Biorxiv, 2022
7VHZ
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BU of 7vhz by Molmil
Crystal structure of EP300 HAT domain in complex with compound 7
Descriptor: (2R)-N-(2H-indazol-4-yl)-1-[1-(4-methoxyphenyl)cyclopentyl]carbonyl-pyrrolidine-2-carboxamide, Histone acetyltransferase p300, ZINC ION
Authors:Takahashi, M, Hanzawa, H.
Deposit date:2021-09-24
Release date:2022-04-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of EP300/CBP histone acetyltransferase inhibitors through scaffold hopping of 1,4-oxazepane ring.
Bioorg.Med.Chem.Lett., 66, 2022
7VHY
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BU of 7vhy by Molmil
Crystal structure of EP300 HAT domain in complex with compound (+)-3
Descriptor: Histone acetyltransferase p300, ZINC ION, [(6R)-6-(1H-indazol-4-ylmethyl)-1,4-oxazepan-4-yl]-[1-(4-methoxyphenyl)cyclopentyl]methanone
Authors:Takahashi, M, Hanzawa, H.
Deposit date:2021-09-24
Release date:2022-04-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of EP300/CBP histone acetyltransferase inhibitors through scaffold hopping of 1,4-oxazepane ring.
Bioorg.Med.Chem.Lett., 66, 2022

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