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6JB8
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BU of 6jb8 by Molmil
Crystal structure of nanobody D3-L11 in complex with hen egg-white lysozyme
Descriptor: CHLORIDE ION, GLYCEROL, Lysozyme C, ...
Authors:Caaveiro, J.M.M, Tamura, H, Akiba, H, Tsumoto, K.
Deposit date:2019-01-25
Release date:2019-11-06
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural and thermodynamic basis for the recognition of the substrate-binding cleft on hen egg lysozyme by a single-domain antibody.
Sci Rep, 9, 2019
6JB5
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BU of 6jb5 by Molmil
Crystal structure of nanobody D3-L11 mutant Y102A in complex with hen egg-white lysozyme (form II)
Descriptor: CHLORIDE ION, GLYCEROL, Lysozyme C, ...
Authors:Caaveiro, J.M.M, Tamura, H, Akiba, H, Tsumoto, K.
Deposit date:2019-01-25
Release date:2019-11-06
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structural and thermodynamic basis for the recognition of the substrate-binding cleft on hen egg lysozyme by a single-domain antibody.
Sci Rep, 9, 2019
6AFB
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BU of 6afb by Molmil
DJ-1 C106S incubated with isatin
Descriptor: CHLORIDE ION, DIMETHYL SULFOXIDE, ISATIN, ...
Authors:Caaveiro, J.M.M, Tashiro, S, Tsumoto, K.
Deposit date:2018-08-08
Release date:2018-08-29
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Discovery and Optimization of Inhibitors of the Parkinson's Disease Associated Protein DJ-1.
ACS Chem. Biol., 13, 2018
6AFL
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BU of 6afl by Molmil
DJ-1 with compound 15
Descriptor: 5-fluoranyl-1-(2-phenylethyl)indole-2,3-dione, CHLORIDE ION, Protein/nucleic acid deglycase DJ-1
Authors:Caaveiro, J.M.M, Tashiro, S, Tsumoto, K.
Deposit date:2018-08-08
Release date:2018-08-29
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Discovery and Optimization of Inhibitors of the Parkinson's Disease Associated Protein DJ-1.
ACS Chem. Biol., 13, 2018
8J81
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BU of 8j81 by Molmil
MDM2 bound with a peptoid
Descriptor: (2S)-2-[[(2S)-2-[(6-chloranyl-1H-indol-3-yl)methyl-[(2S)-2-[[(2S)-2-[ethanoyl-(phenylmethyl)amino]propanoyl]-methyl-amino]propanoyl]amino]propanoyl]-methyl-amino]-N-(3,3-dimethylbutyl)-N-[(2S)-1-oxidanylidene-1-piperazin-1-yl-propan-2-yl]propanamide, CHLORIDE ION, E3 ubiquitin-protein ligase Mdm2
Authors:Yokomine, M, Fukuda, Y, Ago, H, Matsuura, H, Ueno, G, Nagatoishi, S, Yamamoto, M, Tsumoto, K, Jumpei, M, Sando, S.
Deposit date:2023-04-28
Release date:2024-05-01
Last modified:2024-11-27
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:A high-resolution structural characterization and physicochemical study of how a peptoid binds to an oncoprotein MDM2.
Chem Sci, 15, 2024
5CI9
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BU of 5ci9 by Molmil
Crystal structure of human Tob in complex with inhibitor fragment 6
Descriptor: 1-(propan-2-yl)-1H-benzimidazole-5-carboxylic acid, Protein Tob1, SODIUM ION
Authors:Bai, Y, Tashiro, S, Nagatoishi, S, Suzuki, T, Tsumoto, K, Bartlam, M, Yamamoto, T.
Deposit date:2015-07-11
Release date:2015-11-18
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis for inhibition of the Tob-CNOT7 interaction by a fragment screening approach
Protein Cell, 6, 2015
5CI8
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BU of 5ci8 by Molmil
Crystal structure of human Tob in complex with inhibitor fragment 1
Descriptor: Protein Tob1, pyrrolo[1,2-a]quinoxalin-4(5H)-one
Authors:Bai, Y, Tashiro, S, Nagatoishi, S, Suzuki, T, Tsumoto, K, Bartlam, M, Yamamoto, T.
Deposit date:2015-07-11
Release date:2015-11-18
Last modified:2025-04-09
Method:X-RAY DIFFRACTION (2.328 Å)
Cite:Structural basis for inhibition of the Tob-CNOT7 interaction by a fragment screening approach
Protein Cell, 6, 2015
4YRD
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BU of 4yrd by Molmil
Crystal structure of CapF with inhibitor 3-isopropenyl-tropolone
Descriptor: 2-hydroxy-3-(prop-1-en-2-yl)cyclohepta-2,4,6-trien-1-one, Capsular polysaccharide synthesis enzyme Cap5F, ZINC ION
Authors:Nakano, K, Chigira, T, Miyafusa, T, Nagatoishi, S, Caaveiro, J.M.M, Tsumoto, K.
Deposit date:2015-03-15
Release date:2015-10-21
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Discovery and characterization of natural tropolones as inhibitors of the antibacterial target CapF from Staphylococcus aureus.
Sci Rep, 5, 2015
5AZ2
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BU of 5az2 by Molmil
Crystal structure of the Fab fragment of 9E5, a murine monoclonal antibody specific for human epiregulin
Descriptor: anti-human epiregulin antibody 9E5 Fab heavy chain, anti-human epiregulin antibody 9E5 Fab light chain
Authors:Kado, Y, Mizohata, E, Nagatoishi, S, Iijima, M, Shinoda, K, Miyafusa, T, Nakayama, T, Yoshizumi, T, Sugiyama, A, Kawamura, T, Lee, Y.H, Matsumura, H, Doi, H, Fujitani, H, Kodama, T, Shibasaki, Y, Tsumoto, K, Inoue, T.
Deposit date:2015-09-16
Release date:2015-12-09
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.603 Å)
Cite:Epiregulin Recognition Mechanisms by Anti-epiregulin Antibody 9E5: STRUCTURAL, FUNCTIONAL, AND MOLECULAR DYNAMICS SIMULATION ANALYSES
J.Biol.Chem., 291, 2016
5BTQ
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BU of 5btq by Molmil
Crystal structure of human heme oxygenase 1 H25R with biliverdin bound
Descriptor: BILIVERDINE IX ALPHA, Heme oxygenase 1, SULFATE ION
Authors:Caaveiro, J.M.M, Morante, K, Sigala, P, Tsumoto, K.
Deposit date:2015-06-03
Release date:2016-06-08
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:In-Cell Enzymology To Probe His-Heme Ligation in Heme Oxygenase Catalysis
Biochemistry, 55, 2016
1UA6
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BU of 1ua6 by Molmil
Crystal structure of HYHEL-10 FV MUTANT SFSF complexed with HEN EGG WHITE LYSOZYME complex
Descriptor: Ig VH,anti-lysozyme, Lysozyme C, lysozyme binding Ig kappa chain V23-J2 region
Authors:Kumagai, I, Nishimiya, Y, Kondo, H, Tsumoto, K.
Deposit date:2003-02-28
Release date:2004-03-09
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural consequences of target epitope-directed functional alteration of an antibody. The case of anti-hen lysozyme antibody, HyHEL-10
J.Biol.Chem., 278, 2003
1UD9
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BU of 1ud9 by Molmil
Crystal Structure of Proliferating Cell Nuclear Antigen (PCNA) Homolog From Sulfolobus tokodaii
Descriptor: DNA polymerase sliding clamp A, ZINC ION
Authors:Tanabe, E, Yasutake, Y, Tanaka, Y, Yao, M, Tsumoto, K, Kumagai, I, Tanaka, I.
Deposit date:2003-04-28
Release date:2004-06-15
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Crystal Structure of Proliferating Cell Nuclear Antigen (PCNA) Homolog From Sulfolobus tokodaii
To be published
5Y78
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BU of 5y78 by Molmil
Crystal structure of the triose-phosphate/phosphate translocator in complex with inorganic phosphate
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, PHOSPHATE ION, Putative hexose phosphate translocator
Authors:Lee, Y, Nishizawa, T, Takemoto, M, Kumazaki, K, Yamashita, K, Hirata, K, Minoda, A, Nagatoishi, S, Tsumoto, K, Ishitani, R, Nureki, O.
Deposit date:2017-08-16
Release date:2017-10-04
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure of the triose-phosphate/phosphate translocator reveals the basis of substrate specificity
Nat Plants, 3, 2017
5Y79
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BU of 5y79 by Molmil
Crystal structure of the triose-phosphate/phosphate translocator in complex with 3-phosphoglycerate
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 3-PHOSPHOGLYCERIC ACID, CITRATE ANION, ...
Authors:Lee, Y, Nishizawa, T, Takemoto, M, Kumazaki, K, Yamashita, K, Hirata, K, Minoda, A, Nagatoishi, S, Tsumoto, K, Ishitani, R, Nureki, O.
Deposit date:2017-08-16
Release date:2017-10-04
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of the triose-phosphate/phosphate translocator reveals the basis of substrate specificity
Nat Plants, 3, 2017
1UMJ
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BU of 1umj by Molmil
Crystal structure of Pyrococcus horikoshii CutA in the presence of 3M guanidine hydrochloride
Descriptor: GUANIDINE, periplasmic divalent cation tolerance protein CutA
Authors:Tanaka, Y, Tsumoto, K, Yasutake, Y, Sakai, N, Yao, M, Tanaka, I, Kumagai, I.
Deposit date:2003-10-02
Release date:2004-10-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural evidence for guanidine-protein side chain interactions: crystal structure of CutA from Pyrococcus horikoshii in 3M guanidine hydrochloride
Biochem.Biophys.Res.Commun., 323, 2004
1VBF
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BU of 1vbf by Molmil
Crystal structure of protein L-isoaspartate O-methyltransferase homologue from Sulfolobus tokodaii
Descriptor: 231aa long hypothetical protein-L-isoaspartate O-methyltransferase
Authors:Tanaka, Y, Tsumoto, K, Yasutake, Y, Umetsu, M, Yao, M, Tanaka, I, Fukada, H, Kumagai, I.
Deposit date:2004-02-25
Release date:2004-08-10
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:How Oligomerization Contributes to the Thermostability of an Archaeon Protein: PROTEIN L-ISOASPARTYL-O-METHYLTRANSFERASE FROM SULFOLOBUS TOKODAII
J.Biol.Chem., 279, 2004
1UAC
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BU of 1uac by Molmil
Crystal Structure of HYHEL-10 FV MUTANT SFSF Complexed with TURKEY WHITE LYSOZYME
Descriptor: Ig VH,anti-lysozyme, Lysozyme C, lysozyme binding Ig kappa chain V23-J2 region
Authors:Kumagai, I, Nishimiya, Y, Kondo, H, Tsumoto, K.
Deposit date:2003-03-08
Release date:2004-03-23
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural consequences of target epitope-directed functional alteration of an antibody. The case of anti-hen lysozyme antibody, HyHEL-10
J.BIOL.CHEM., 278, 2003
1UKU
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BU of 1uku by Molmil
Crystal Structure of Pyrococcus horikoshii CutA1 Complexed with Cu2+
Descriptor: COPPER (II) ION, periplasmic divalent cation tolerance protein CutA
Authors:Tanaka, Y, Yasutake, Y, Yao, M, Sakai, N, Tanaka, I, Tsumoto, K, Kumagai, I.
Deposit date:2003-09-01
Release date:2004-01-13
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structural implications for heavy metal-induced reversible assembly and aggregation of a protein: the case of Pyrococcus horikoshii CutA.
Febs Lett., 556, 2004
1VE0
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BU of 1ve0 by Molmil
Crystal structure of uncharacterized protein ST2072 from Sulfolobus tokodaii
Descriptor: SULFATE ION, ZINC ION, hypothetical protein (ST2072)
Authors:Tanabe, E, Horiike, Y, Tsumoto, K, Yasutake, Y, Yao, M, Tanaka, I, Kumagai, I.
Deposit date:2004-03-26
Release date:2005-03-22
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of the uncharacterized protein ST2072 from Sulfolobus tokodaii
To be Published
7CME
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BU of 7cme by Molmil
Crystal structure of human P-cadherin MEC12 (X dimer) in complex with 2-(5-chloro-2-methyl-1H-indol-3-yl)ethan-1-amine (inhibitor)
Descriptor: 2-(5-chloro-2-methyl-1H-indol-3-yl)ethan-1-amine, CALCIUM ION, Cadherin-3, ...
Authors:Senoo, A, Ito, S, Ueno, G, Nagatoishi, S, Tsumoto, K.
Deposit date:2020-07-27
Release date:2021-09-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Regulation of cadherin dimerization by chemical fragments as a trigger to inhibit cell adhesion
Commun Biol, 4, 2021
7CMF
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BU of 7cmf by Molmil
Crystal structure of human P-cadherin REC12 (monomer) in complex with 2-(5-chloro-2-methyl-1H-indol-3-yl)ethan-1-amine (inhibitor)
Descriptor: 2-(5-chloro-2-methyl-1H-indol-3-yl)ethan-1-amine, CALCIUM ION, Cadherin-3
Authors:Senoo, A, Ito, S, Ueno, G, Nagatoishi, S, Tsumoto, K.
Deposit date:2020-07-27
Release date:2021-09-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Regulation of cadherin dimerization by chemical fragments as a trigger to inhibit cell adhesion
Commun Biol, 4, 2021
3ST7
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BU of 3st7 by Molmil
Crystal Structure of capsular polysaccharide assembling protein CapF from staphylococcus aureus
Descriptor: Capsular polysaccharide synthesis enzyme Cap5F, GLYCEROL, ZINC ION
Authors:Miyafusa, T, Tanaka, Y, Kuroda, M, Yao, M, Watanabe, M, Ohta, T, Tanaka, I, Caaveiro, J.M.M, Tsumoto, K.
Deposit date:2011-07-09
Release date:2012-02-15
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Crystal structure of the enzyme CapF of Staphylococcus aureus reveals a unique architecture composed of two functional domains.
Biochem.J., 443, 2012
3VHR
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BU of 3vhr by Molmil
Crystal Structure of capsular polysaccharide assembling protein CapF from Staphylococcus aureus in space group C2221
Descriptor: Capsular polysaccharide synthesis enzyme Cap5F, FORMIC ACID, ZINC ION
Authors:Miyafusa, T, Yoshikazu, T, Caaveiro, J.M.M, Tsumoto, K.
Deposit date:2011-09-01
Release date:2012-02-15
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structure of the enzyme CapF of Staphylococcus aureus reveals a unique architecture composed of two functional domains.
Biochem.J., 443, 2012
5YD4
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BU of 5yd4 by Molmil
Crystal structure of the scFv antibody 4B08 with epitope peptide (mutation T6A)
Descriptor: Epitope peptide (mutation T6A), SULFATE ION, scFv 4B08
Authors:Caaveiro, J.M.M, Miyanabe, K, Tsumoto, K.
Deposit date:2017-09-11
Release date:2018-06-06
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Intramolecular H-bonds govern the recognition of a flexible peptide by an antibody
J. Biochem., 164, 2018
5YD5
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BU of 5yd5 by Molmil
Crystal structure of the scFv antibody 4B08 with epitope peptide (mutation N3A)
Descriptor: Peptide epitope (mutation N3A), SULFATE ION, scFv 4B08
Authors:Caaveiro, J.M.M, Miyanabe, K, Tsumoto, K.
Deposit date:2017-09-11
Release date:2018-06-06
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Intramolecular H-bonds govern the recognition of a flexible peptide by an antibody
J. Biochem., 164, 2018

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