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7DKJ
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BU of 7dkj by Molmil
Hemagglutinin Influenza A virus (A/Okuda/1957(H2N2) bound with a neutralizing antibody
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fv-clasp heavy chain, Fv-clasp light chain, ...
Authors:Shirouzu, M.
Deposit date:2020-11-24
Release date:2021-11-24
Last modified:2023-06-14
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Hemagglutinin Influenza A virus (A/Okuda/1957(H2N2) bound with a neutralizing antibody
To Be Published
6KPL
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BU of 6kpl by Molmil
Crystal Structure of endo-beta-N-acetylglucosaminidase from Cordyceps militaris in apo form
Descriptor: Chitinase, DI(HYDROXYETHYL)ETHER, TRIETHYLENE GLYCOL
Authors:Seki, H, Arakawa, T, Yamada, C, Takegawa, K, Fushinobu, S.
Deposit date:2019-08-15
Release date:2019-10-02
Last modified:2019-11-20
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural basis for the specific cleavage of core-fucosylatedN-glycans by endo-beta-N-acetylglucosaminidase from the fungusCordyceps militaris.
J.Biol.Chem., 294, 2019
3X2I
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BU of 3x2i by Molmil
X-ray structure of PcCel45A N92D apo form at 298K.
Descriptor: 3-methylpentane-1,5-diol, Endoglucanase V-like protein
Authors:Nakamura, A, Ishida, T, Samejima, M, Igarashi, K.
Deposit date:2014-12-22
Release date:2015-10-07
Last modified:2019-12-18
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:"Newton's cradle" proton relay with amide-imidic acid tautomerization in inverting cellulase visualized by neutron crystallography.
Sci Adv, 1, 2015
3X2H
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BU of 3x2h by Molmil
X-ray structure of PcCel45A N92D with cellopentaose at 95K.
Descriptor: 3-methylpentane-1,5-diol, Endoglucanase V-like protein, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-alpha-D-glucopyranose, ...
Authors:Nakamura, A, Ishida, T, Samejima, M, Igarashi, K.
Deposit date:2014-12-22
Release date:2015-10-07
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (0.99 Å)
Cite:"Newton's cradle" proton relay with amide-imidic acid tautomerization in inverting cellulase visualized by neutron crystallography.
Sci Adv, 1, 2015
3X2J
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BU of 3x2j by Molmil
X-ray structure of PcCel45A D114N apo form at 95K.
Descriptor: 3-methylpentane-1,5-diol, Endoglucanase V-like protein
Authors:Nakamura, A, Ishida, T, Samejima, M, Igarashi, K.
Deposit date:2014-12-22
Release date:2015-10-07
Last modified:2019-12-18
Method:X-RAY DIFFRACTION (1.301 Å)
Cite:"Newton's cradle" proton relay with amide-imidic acid tautomerization in inverting cellulase visualized by neutron crystallography.
Sci Adv, 1, 2015
3X2G
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BU of 3x2g by Molmil
X-ray structure of PcCel45A N92D apo form at 100K
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-methylpentane-1,5-diol, Endoglucanase V-like protein
Authors:Nakamura, A, Ishida, T, Samejima, M, Igarashi, K.
Deposit date:2014-12-22
Release date:2015-10-07
Last modified:2019-12-18
Method:X-RAY DIFFRACTION (1 Å)
Cite:"Newton's cradle" proton relay with amide-imidic acid tautomerization in inverting cellulase visualized by neutron crystallography.
Sci Adv, 1, 2015
3X2L
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BU of 3x2l by Molmil
X-ray structure of PcCel45A apo form at 95K.
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-methylpentane-1,5-diol, Endoglucanase V-like protein
Authors:Nakamura, A, Ishida, T, Ohta, K, Tanaka, H, Inaka, K, Samejima, M, Igarashi, K.
Deposit date:2014-12-22
Release date:2015-10-14
Last modified:2019-12-18
Method:X-RAY DIFFRACTION (0.83 Å)
Cite:"Newton's cradle" proton relay with amide-imidic acid tautomerization in inverting cellulase visualized by neutron crystallography.
Sci Adv, 1, 2015
5AYF
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BU of 5ayf by Molmil
Crystal structure of SET7/9 in complex with cyproheptadine
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-(dibenzo[1,2-a:2',1'-d][7]annulen-11-ylidene)-1-methyl-piperidine, Histone-lysine N-methyltransferase SETD7, ...
Authors:Niwa, H, Handa, N, Takemoto, Y, Ito, A, Tomabechi, Y, Umehara, T, Shirouzu, M, Yoshida, M, Yokoyama, S.
Deposit date:2015-08-20
Release date:2016-04-27
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.005 Å)
Cite:Identification of Cyproheptadine as an Inhibitor of SET Domain Containing Lysine Methyltransferase 7/9 (Set7/9) That Regulates Estrogen-Dependent Transcription
J.Med.Chem., 59, 2016
3X2N
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BU of 3x2n by Molmil
Proton relay pathway in inverting cellulase
Descriptor: Endoglucanase V-like protein, SULFATE ION
Authors:Nakamura, A, Ishida, T, Fushinobu, S, Igarashi, K, Samejima, M.
Deposit date:2014-12-22
Release date:2015-10-14
Last modified:2019-12-18
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:"Newton's cradle" proton relay with amide-imidic acid tautomerization in inverting cellulase visualized by neutron crystallography.
Sci Adv, 1, 2015
6LUB
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BU of 6lub by Molmil
Crystal Structure of EGFR(L858R/T790M/C797S) in complex with CH7233163
Descriptor: Epidermal growth factor receptor, N-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-7-(4-methylpiperazin-1-yl)-5-propan-2-yl-9-[2,2,2-tris(fluoranyl)ethoxy]pyrido[4,3-b]indol-3-amine
Authors:Kawauchi, H, Fukami, T.A, Sato, S, Endo, M, Torizawa, T, Kashima, K, Chiba, T, Sakamoto, H.
Deposit date:2020-01-27
Release date:2020-10-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.315 Å)
Cite:CH7233163 Overcomes Osimertinib-Resistant EGFR-Del19/T790M/C797S Mutation.
Mol.Cancer Ther., 19, 2020
5B4E
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BU of 5b4e by Molmil
Sulfur Transferase TtuA in complex with iron sulfur cluster and ATP derivative
Descriptor: IRON/SULFUR CLUSTER, ISOPROPYL ALCOHOL, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Chen, M, Narai, S, Tanaka, Y, Yao, M.
Deposit date:2016-04-03
Release date:2017-05-03
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.698 Å)
Cite:Biochemical and structural characterization of oxygen-sensitive 2-thiouridine synthesis catalyzed by an iron-sulfur protein TtuA
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5B4F
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BU of 5b4f by Molmil
Sulfur Transferase TtuA in complex with iron sulfur cluster
Descriptor: IRON/SULFUR CLUSTER, SULFATE ION, Sulfur Transferase TtuA, ...
Authors:Chen, M, Narai, S, Tanaka, Y, Yao, M.
Deposit date:2016-04-03
Release date:2017-05-10
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Biochemical and structural characterization of oxygen-sensitive 2-thiouridine synthesis catalyzed by an iron-sulfur protein TtuA
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5B2F
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BU of 5b2f by Molmil
N,N'-diacetylchitobiose deacetylase from Pyrococcus horikoshii complexed with its inhibitor MPG (phosphate-containing condition)
Descriptor: 2-deoxy-2-{[(S)-hydroxy(methyl)phosphoryl]amino}-beta-D-glucopyranose, Putative uncharacterized protein PH0499, ZINC ION
Authors:Nakamura, T, Niiyama, M, Ida, K, Uegaki, K.
Deposit date:2016-01-15
Release date:2016-08-10
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Substrate recognition of N,N'-diacetylchitobiose deacetylase from Pyrococcus horikoshii
J.Struct.Biol., 195, 2016
7ZYU
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BU of 7zyu by Molmil
HDAC6 ZnF domain inhibitor - DARPin (Designed Ankyrin repeat protein) F10
Descriptor: 1,2-ETHANEDIOL, Designed Ankyrin repeat protein F10, Histone deacetylase 6, ...
Authors:Wang, L, Kempf, G.
Deposit date:2022-05-25
Release date:2022-06-01
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Disrupting the HDAC6-ubiquitin interaction impairs infection by influenza and Zika virus and cellular stress pathways.
Cell Rep, 39, 2022
6YPE
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BU of 6ype by Molmil
Crystal structure of the human neuronal pentraxin 1 (NP1) pentraxin (PTX) domain.
Descriptor: CACODYLATE ION, CALCIUM ION, Neuronal pentraxin-1
Authors:Elegheert, J, Clayton, A.J, Aricescu, A.R.
Deposit date:2020-04-15
Release date:2020-06-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:A synthetic synaptic organizer protein restores glutamatergic neuronal circuits.
Science, 369, 2020
7D83
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BU of 7d83 by Molmil
Crystal structure of HIV-1 integrase catalytic core domain in complex with 2-(tert-butoxy)-2-(2-(3-cyclohexylureido)-3,6-dimethyl-5-(5-methylchroman-6-yl)pyridin-4-yl)acetic acid
Descriptor: (2S)-2-[2-(cyclohexylcarbamoylamino)-3,6-dimethyl-5-(5-methyl-3,4-dihydro-2H-chromen-6-yl)pyridin-4-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid, Integrase, SULFATE ION
Authors:Sugiyama, S, Sekiguchi, Y.
Deposit date:2020-10-07
Release date:2021-01-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Discovery of novel HIV-1 integrase-LEDGF/p75 allosteric inhibitors based on a pyridine scaffold forming an intramolecular hydrogen bond.
Bioorg.Med.Chem.Lett., 33, 2020
6EEI
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BU of 6eei by Molmil
Crystal structure of Arabidopsis thaliana phenylacetaldehyde synthase in complex with L-phenylalanine
Descriptor: PHENYLALANINE, SULFATE ION, Tyrosine decarboxylase 1
Authors:Torrens-Spence, M.P, Chiang, Y, Smith, T, Vicent, M.A, Wang, Y, Weng, J.K.
Deposit date:2018-08-14
Release date:2018-09-19
Last modified:2020-06-03
Method:X-RAY DIFFRACTION (1.99001348 Å)
Cite:Structural basis for divergent and convergent evolution of catalytic machineries in plant aromatic amino acid decarboxylase proteins.
Proc.Natl.Acad.Sci.USA, 117, 2020
6EEW
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BU of 6eew by Molmil
Crystal structure of Catharanthus roseus tryptophan decarboxylase in complex with L-tryptophan
Descriptor: Aromatic-L-amino-acid decarboxylase, CALCIUM ION, TRYPTOPHAN
Authors:Torrens-Spence, M.P, Chiang, Y, Smith, T, Vicent, M.A, Wang, Y, Weng, J.K.
Deposit date:2018-08-15
Release date:2018-09-19
Last modified:2020-06-03
Method:X-RAY DIFFRACTION (2.05002069 Å)
Cite:Structural basis for divergent and convergent evolution of catalytic machineries in plant aromatic amino acid decarboxylase proteins.
Proc.Natl.Acad.Sci.USA, 117, 2020
5KZC
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BU of 5kzc by Molmil
Crystal structure of an HIV-1 gp120 engineered outer domain with a Man9 glycan at position N276, in complex with broadly neutralizing antibody VRC01
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Engineered outer domain of gp120, VRC01 Fab heavy chain, ...
Authors:Julien, J.-P, Jardine, J.G, Diwanji, D, Schief, W.R, Wilson, I.A.
Deposit date:2016-07-24
Release date:2016-08-10
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:Minimally Mutated HIV-1 Broadly Neutralizing Antibodies to Guide Reductionist Vaccine Design.
Plos Pathog., 12, 2016
6ZJ3
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BU of 6zj3 by Molmil
Cryo-EM structure of the highly atypical cytoplasmic ribosome of Euglena gracilis
Descriptor: 18S rRNA, 5.8S rRNA, 5S rRNA, ...
Authors:Matzov, D, Halfon, H, Zimmerman, E, Rozenberg, H, Bashan, A, Gray, M.W, Yonath, A.E, Shalev-Benami, M.
Deposit date:2020-06-27
Release date:2020-10-07
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (3.15 Å)
Cite:Cryo-EM structure of the highly atypical cytoplasmic ribosome of Euglena gracilis.
Nucleic Acids Res., 48, 2020
4X8Y
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BU of 4x8y by Molmil
Crystal structure of human PGRMC1 cytochrome b5-like domain
Descriptor: Membrane-associated progesterone receptor component 1, PROTOPORPHYRIN IX CONTAINING FE
Authors:Nakane, T, Yamamoto, T, Shimamura, T, Kobayashi, T, Kabe, Y, Suematsu, M.
Deposit date:2014-12-11
Release date:2016-03-23
Last modified:2020-02-05
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Haem-dependent dimerization of PGRMC1/Sigma-2 receptor facilitates cancer proliferation and chemoresistance
Nat Commun, 7, 2016
5B5T
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BU of 5b5t by Molmil
Crystal Structure of Escherichia coli Gamma-Glutamyltranspeptidase in Complex with peptidyl phosphonate inhibitor 1b
Descriptor: (2~{S})-2-azanyl-4-[(2~{R})-1-(2-hydroxy-2-oxoethylamino)-1-oxidanylidene-butan-2-yl]oxyphosphonoyl-butanoic acid, CALCIUM ION, Gamma-glutamyltranspeptidase large chain, ...
Authors:Wada, K, Fukuyama, K.
Deposit date:2016-05-18
Release date:2016-09-28
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Phosphonate-based irreversible inhibitors of human gamma-glutamyl transpeptidase (GGT). GGsTop is a non-toxic and highly selective inhibitor with critical electrostatic interaction with an active-site residue Lys562 for enhanced inhibitory activity
Bioorg.Med.Chem., 24, 2016
5DCV
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BU of 5dcv by Molmil
Crystal structure of PhoRpp38-SL12M complex
Descriptor: 50S ribosomal protein L7Ae, RNA (47-MER)
Authors:Oshima, K, Tanaka, Y, Yao, M.
Deposit date:2015-08-24
Release date:2016-07-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.401 Å)
Cite:Structural basis for recognition of a kink-turn motif by an archaeal homologue of human RNase P protein Rpp38
Biochem.Biophys.Res.Commun., 474, 2016
3WX2
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BU of 3wx2 by Molmil
Mouse Cereblon thalidomide binding domain, native
Descriptor: Protein cereblon, SULFATE ION, ZINC ION
Authors:Mori, T, Ito, T, Hirano, Y, Yamaguchi, Y, Handa, H, Hakoshima, T.
Deposit date:2014-07-10
Release date:2014-08-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of the human Cereblon-DDB1-lenalidomide complex reveals basis for responsiveness to thalidomide analogs
Nat.Struct.Mol.Biol., 21, 2014
3WX1
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BU of 3wx1 by Molmil
Mouse Cereblon thalidomide binding domain, selenomethionine derivative
Descriptor: Protein cereblon, SULFATE ION, ZINC ION
Authors:Mori, T, Ito, T, Hirano, Y, Yamaguchi, Y, Handa, H, Hakoshima, T.
Deposit date:2014-07-10
Release date:2014-08-06
Last modified:2014-09-17
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Structure of the human Cereblon-DDB1-lenalidomide complex reveals basis for responsiveness to thalidomide analogs
Nat.Struct.Mol.Biol., 21, 2014

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