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8KGB
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BU of 8kgb by Molmil
SlNDPS1-AtcPT4 Chimera complexed with GSPP, Mg2+, and IPP
Descriptor: 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, Dimethylallylcistransferase CPT1, chloroplastic,Dehydrodolichyl diphosphate synthase 2, ...
Authors:Suenaga-Hiromori, M, Ishii, T, Imaizumi, R, Takeshita, K, Yanai, T, Matsuura, H, Sakai, N, Yamaguchi, H, Yanbe, F, Waki, T, Tozawa, Y, Miyagi-Inoue, Y, Yamamoto, M, Kataoka, K, Nakayama, T, Yamashita, S, Takahashi, S.
Deposit date:2023-08-18
Release date:2024-08-21
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:A versatile system for enzymatic synthesis of natural and unnatural polyisoprenoids on rubber particles
To Be Published
8KGA
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BU of 8kga by Molmil
SlNDPS1-AtcPT4 Chimera
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Dimethylallylcistransferase CPT1, ...
Authors:Suenaga-Hiromori, M, Ishii, T, Imaizumi, R, Takeshita, K, Yanai, T, Matsuura, H, Sakai, N, Yamaguchi, H, Yanbe, F, Waki, T, Tozawa, Y, Miyagi-Inoue, Y, Yamamoto, M, Kataoka, K, Nakayama, T, Yamashita, S, Takahashi, S.
Deposit date:2023-08-18
Release date:2024-08-21
Method:X-RAY DIFFRACTION (2.182 Å)
Cite:Biosynthesising various rubber-like polymers by reconstituting prenyltransferases on Hevea rubber particles: molecular and structural bases of the versatile system
To Be Published
5NEN
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BU of 5nen by Molmil
Crystal structure of the soluble domain of LipC, a membrane fusion protein of a type I secretion system
Descriptor: Lipase C
Authors:Murata, D, Akutsu, M, Takano, K.
Deposit date:2017-03-11
Release date:2017-11-22
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.901 Å)
Cite:Structural Basis for the Serratia marcescens Lipase Secretion System: Crystal Structures of the Membrane Fusion Protein and Nucleotide-Binding Domain.
Biochemistry, 56, 2017
7V9B
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BU of 7v9b by Molmil
Crystal Structure of 14-3-3 epsilon with FOXO3a peptide
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-[3,6-bis(dimethylamino)xanthen-9-yl]-5-methanoyl-benzoate, ARG-ARG-ARG-ALA-VAL-SEP-MET-ASP-ASN-SER-ASN, ...
Authors:Mathivanan, S, Kamariah, N.
Deposit date:2021-08-24
Release date:2022-08-31
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure of a 14-3-3 epsilon :FOXO3a pS253 Phosphopeptide Complex Reveals 14-3-3 Isoform-Specific Binding of Forkhead Box Class O Transcription Factor (FOXO) Phosphoproteins.
Acs Omega, 7, 2022
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
8I5L
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BU of 8i5l by Molmil
Crystal structure of P domain from norovirus GI.4 capsid protein in complex with broad specificity antibody single-chain Fv fragment CV-2F5.
Descriptor: Capsid protein, scFv fragment
Authors:Kato-Murayama, M, Murayama, K, Shirouzu, M.
Deposit date:2023-01-26
Release date:2024-01-31
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural analyses of the GI.4 norovirus by cryo-electron microscopy and X-ray crystallography revealing binding sites for human monoclonal antibodies.
J.Virol., 98, 2024
8JG5
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BU of 8jg5 by Molmil
Cryo-EM structure of the GI.4 Chiba VLP complexed with the CV-1A1 Fv-clasp
Descriptor: VH,SARAH, VL,SARAH, VP1
Authors:Hosaka, T, Katsura, K, Kimura-Someya, T, Someya, Y, Shirouzu, M.
Deposit date:2023-05-19
Release date:2024-04-17
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (3.04 Å)
Cite:Structural analyses of the GI.4 norovirus by cryo-electron microscopy and X-ray crystallography revealing binding sites for human monoclonal antibodies.
J.Virol., 98, 2024
8WD4
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BU of 8wd4 by Molmil
EGFR(L858R/T790/C797S) in complex with compound 5j
Descriptor: CHLORIDE ION, Epidermal growth factor receptor, ~{N}-[3,3-bis(fluoranyl)propyl]-4-[[(2~{S})-butan-2-yl]amino]-6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]pyridine-3-carboxamide
Authors:Nishikawa, Y.
Deposit date:2023-09-14
Release date:2023-12-20
Last modified:2024-01-03
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Synthesis, activity, and their relationships of 2,4-diaminonicotinamide derivatives as EGFR inhibitors targeting C797S mutation.
Bioorg.Med.Chem.Lett., 98, 2023
8IC1
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BU of 8ic1 by Molmil
endo-alpha-D-arabinanase EndoMA1 D51N mutant from Microbacterium arabinogalactanolyticum in complex with arabinooligosaccharides
Descriptor: (3~{a}~{S},5~{R},6~{R},6~{a}~{S})-5-(hydroxymethyl)-2,2-dimethyl-3~{a},5,6,6~{a}-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Li, J, Nakashima, C, Ishiwata, A, Fujita, K, Fushinobu, S.
Deposit date:2023-02-10
Release date:2023-08-16
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Identification and characterization of endo-alpha-, exo-alpha-, and exo-beta-D-arabinofuranosidases degrading lipoarabinomannan and arabinogalactan of mycobacteria.
Nat Commun, 14, 2023
8IC7
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BU of 8ic7 by Molmil
exo-beta-D-arabinofuranosidase ExoMA2 from Microbacterium arabinogalactanolyticum in complex with beta-D-arabinofuranose
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Fukushima, R, Kashima, T, Ishiwata, A, Fujita, K, Fushinobu, S.
Deposit date:2023-02-11
Release date:2023-08-16
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Identification and characterization of endo-alpha-, exo-alpha-, and exo-beta-D-arabinofuranosidases degrading lipoarabinomannan and arabinogalactan of mycobacteria.
Nat Commun, 14, 2023
8IC6
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BU of 8ic6 by Molmil
exo-beta-D-arabinanase ExoMA2 from Microbacterium arabinogalactanolyticum in complex with Tris
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ...
Authors:Fukushima, R, Kashima, T, Ishiwata, A, Fujita, K, Fushinobu, S.
Deposit date:2023-02-10
Release date:2023-08-16
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Identification and characterization of endo-alpha-, exo-alpha-, and exo-beta-D-arabinofuranosidases degrading lipoarabinomannan and arabinogalactan of mycobacteria.
Nat Commun, 14, 2023
8IC8
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BU of 8ic8 by Molmil
Exo-alpha-D-arabinofuranosidase from Microbacterium arabinogalactanolyticum
Descriptor: Exo-alpha-D-arabinofuranosidase, PHOSPHATE ION
Authors:Kashima, T, Arakawa, T, Yamada, C, Ishiwata, A, Fujita, K, Fushinobu, S.
Deposit date:2023-02-11
Release date:2023-08-16
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Identification and characterization of endo-alpha-, exo-alpha-, and exo-beta-D-arabinofuranosidases degrading lipoarabinomannan and arabinogalactan of mycobacteria.
Nat Commun, 14, 2023
8HHV
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BU of 8hhv by Molmil
endo-alpha-D-arabinanase EndoMA1 from Microbacterium arabinogalactanolyticum
Descriptor: CALCIUM ION, GLYCEROL, SODIUM ION, ...
Authors:Nakashima, C, Li, J, Arakawa, T, Yamada, C, Ishiwata, A, Fujita, K, Fushinobu, S.
Deposit date:2022-11-17
Release date:2023-08-16
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Identification and characterization of endo-alpha-, exo-alpha-, and exo-beta-D-arabinofuranosidases degrading lipoarabinomannan and arabinogalactan of mycobacteria.
Nat Commun, 14, 2023
1XGN
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BU of 1xgn by Molmil
METHIONINE AMINOPEPTIDASE FROM HYPERTHERMOPHILE PYROCOCCUS FURIOSUS
Descriptor: COBALT (II) ION, METHIONINE AMINOPEPTIDASE
Authors:Tahirov, T.H, Tsukihara, T.
Deposit date:1997-11-17
Release date:1998-02-25
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal structure of methionine aminopeptidase from hyperthermophile, Pyrococcus furiosus.
J.Mol.Biol., 284, 1998
1XGO
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BU of 1xgo by Molmil
METHIONINE AMINOPEPTIDASE FROM HYPERTHERMOPHILE PYROCOCCUS FURIOSUS
Descriptor: METHIONINE AMINOPEPTIDASE
Authors:Tahirov, T.H, Tsukihara, T.
Deposit date:1997-11-18
Release date:1998-02-25
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Crystal structure of methionine aminopeptidase from hyperthermophile, Pyrococcus furiosus.
J.Mol.Biol., 284, 1998
1XGM
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BU of 1xgm by Molmil
METHIONINE AMINOPEPTIDASE FROM HYPERTHERMOPHILE PYROCOCCUS FURIOSUS
Descriptor: COBALT (II) ION, METHIONINE AMINOPEPTIDASE
Authors:Tahirov, T.H, Tsukihara, T.
Deposit date:1997-11-17
Release date:1998-02-25
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of methionine aminopeptidase from hyperthermophile, Pyrococcus furiosus.
J.Mol.Biol., 284, 1998
7Y4A
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BU of 7y4a by Molmil
Crystal structure of human ELMO1 RBD-RhoG complex
Descriptor: Engulfment and cell motility protein 1, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Tsuda, K, Kukimoto-Niino, M, Shirouzu, M.
Deposit date:2022-06-14
Release date:2023-03-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Targeting Ras-binding domain of ELMO1 by computational nanobody design.
Commun Biol, 6, 2023
5AAM
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BU of 5aam by Molmil
Structure of a redesigned cross-reactive antibody to dengue virus with increased in vivo potency
Descriptor: ENVELOPE PROTEIN, SCFV513
Authors:Wong, Y.H, Robinson, L.N, Lescar, J, Sasisekharan, R.
Deposit date:2015-07-27
Release date:2015-08-05
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Structure-Guided Design of an Anti-Dengue Antibody Directed to a Non-Immunodominant Epitope.
Cell(Cambridge,Mass.), 162, 2015
8GV1
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BU of 8gv1 by Molmil
Crystal structure of anti-FX IgG fab with FAST-Ig mutations
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Anti-factor X IgG fab heavy chain, ...
Authors:Koga, H, Yamano, T, Fukami, T.A, Sampei, Z, Shiraiwa, H, Torizawa, T.
Deposit date:2022-09-14
Release date:2023-06-28
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.186 Å)
Cite:Efficient production of bispecific antibody by FAST-Ig TM and its application to NXT007 for the treatment of hemophilia A.
Mabs, 15, 2023
8GV2
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BU of 8gv2 by Molmil
Crystal structure of anti-FX IgG fab without FAST-Ig mutations
Descriptor: 1,2-ETHANEDIOL, Anti-factor X IgG fab heavy chain, Anti-factor X IgG fab light chain
Authors:Koga, H, Yamano, T, Fukami, T.A, Sampei, Z, Shiraiwa, H, Torizawa, T.
Deposit date:2022-09-14
Release date:2023-06-28
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.274 Å)
Cite:Efficient production of bispecific antibody by FAST-Ig TM and its application to NXT007 for the treatment of hemophilia A.
Mabs, 15, 2023
8GUZ
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BU of 8guz by Molmil
Crystal structure of anti-FIXa IgG fab with FAST-Ig mutations
Descriptor: 1,2-ETHANEDIOL, Anti-factor IXa IgG fab heavy chain, Anti-factor IXa IgG fab light chain
Authors:Koga, H, Yamano, T, Fukami, T.A, Sampei, Z, Shiraiwa, H, Torizawa, T.
Deposit date:2022-09-14
Release date:2023-06-28
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Efficient production of bispecific antibody by FAST-Ig TM and its application to NXT007 for the treatment of hemophilia A.
Mabs, 15, 2023
8GV0
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BU of 8gv0 by Molmil
Crystal structure of anti-FIXa IgG fab without FAST-Ig mutations
Descriptor: Anti-factor IXa IgG fab heavy chain, Anti-factor IXa IgG fab light chain
Authors:Koga, H, Yamano, T, Fukami, T.A, Sampei, Z, Shiraiwa, H, Torizawa, T.
Deposit date:2022-09-14
Release date:2023-06-28
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.192 Å)
Cite:Efficient production of bispecific antibody by FAST-Ig TM and its application to NXT007 for the treatment of hemophilia A.
Mabs, 15, 2023
6MAE
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BU of 6mae by Molmil
CHAIN A. UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase PA-LPXC Complexed with (R)-3-((S)-3-(4-(cyclopropylethynyl)phenyl)-2-oxooxazolidin-5-yl)-N-hydroxy-2-methyl-2-(methylsulfonyl)propenamide
Descriptor: (2R)-3-{(5S)-3-[4-(cyclopropylethynyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl}-N-hydroxy-2-methyl-2-(methylsulfonyl)propanamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION
Authors:Shu, W.
Deposit date:2018-08-27
Release date:2019-01-23
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Application of Virtual Screening to the Identification of New LpxC Inhibitor Chemotypes, Oxazolidinone and Isoxazoline.
J. Med. Chem., 61, 2018
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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