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6IN2
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BU of 6in2 by Molmil
Crystal structure of BRD1 in complex with 18-Crown-6
Descriptor: 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, ACETATE ION, Bromodomain-containing protein 1
Authors:Yokoyama, T, Kosaka, Y, Matsumoto, K, Kitakami, R, Nabeshima, Y, Mizuguchi, M.
Deposit date:2018-10-24
Release date:2019-10-30
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crown Ethers as Transthyretin Amyloidogenesis Inhibitor
To Be Published
6AJV
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BU of 6ajv by Molmil
Crystal structure of BRD4 in complex with isoliquiritigenin and DMSO (Cocktail No. 3)
Descriptor: 2',4,4'-TRIHYDROXYCHALCONE, Bromodomain-containing protein 4, DIMETHYL SULFOXIDE, ...
Authors:Yokoyama, T, Matsumoto, K, Nabeshima, Y, Mizuguchi, M.
Deposit date:2018-08-28
Release date:2019-06-12
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structural and thermodynamic characterization of the binding of isoliquiritigenin to the first bromodomain of BRD4.
Febs J., 286, 2019
6AJY
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BU of 6ajy by Molmil
Crystal structure of BRD4 in complex with 2',4'-dihydroxy-2-methoxychalcone
Descriptor: 2',4'-dihydroxy-2-methoxychalcone, Bromodomain-containing protein 4, SODIUM ION
Authors:Yokoyama, T, Matsumoto, K, Nabeshima, Y, Mizuguchi, M.
Deposit date:2018-08-28
Release date:2019-06-12
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural and thermodynamic characterization of the binding of isoliquiritigenin to the first bromodomain of BRD4.
Febs J., 286, 2019
6AJX
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BU of 6ajx by Molmil
Crystal structure of BRD4 in complex with isoliquiritigenin in the absence of DMSO
Descriptor: 2',4,4'-TRIHYDROXYCHALCONE, Bromodomain-containing protein 4, SODIUM ION
Authors:Yokoyama, T, Matsumoto, K, Nabeshima, Y, Mizuguchi, M.
Deposit date:2018-08-28
Release date:2019-06-12
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.887 Å)
Cite:Structural and thermodynamic characterization of the binding of isoliquiritigenin to the first bromodomain of BRD4.
Febs J., 286, 2019
6AJW
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BU of 6ajw by Molmil
Crystal structure of BRD4 in complex with DMSO (Cocktail No. 4)
Descriptor: Bromodomain-containing protein 4, DIMETHYL SULFOXIDE, SODIUM ION
Authors:Yokoyama, T, Matsumoto, K, Nabeshima, Y, Mizuguchi, M.
Deposit date:2018-08-28
Release date:2019-06-12
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.401 Å)
Cite:Structural and thermodynamic characterization of the binding of isoliquiritigenin to the first bromodomain of BRD4.
Febs J., 286, 2019
3WWK
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BU of 3wwk by Molmil
Crystal structure of CLEC-2 in complex with rhodocytin
Descriptor: C-type lectin domain family 1 member B, Snaclec rhodocytin subunit alpha, Snaclec rhodocytin subunit beta
Authors:Nagae, M, Morita-Matsumoto, K, Kato, M, Kato-Kaneko, M, Kato, Y, Yamaguchi, Y.
Deposit date:2014-06-20
Release date:2014-10-22
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.98 Å)
Cite:A Platform of C-type Lectin-like Receptor CLEC-2 for Binding O-Glycosylated Podoplanin and Nonglycosylated Rhodocytin
Structure, 22, 2014
3WSR
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BU of 3wsr by Molmil
Crystal structure of CLEC-2 in complex with O-glycosylated podoplanin
Descriptor: C-type lectin domain family 1 member B, Peptide from Podoplanin, beta-D-galactopyranose-(1-3)-[N-acetyl-alpha-neuraminic acid-(2-6)]2-acetamido-2-deoxy-alpha-D-galactopyranose
Authors:Nagae, M, Morita-Matsumoto, K, Kato, M, Kato-Kaneko, M, Kato, Y, Yamaguchi, Y.
Deposit date:2014-03-20
Release date:2014-10-22
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:A Platform of C-type Lectin-like Receptor CLEC-2 for Binding O-Glycosylated Podoplanin and Nonglycosylated Rhodocytin
Structure, 22, 2014
8DCQ
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BU of 8dcq by Molmil
CRYSTAL STRUCTURE OF HIV-1 LM/HT CLADE A/E CRF01 GP120 CORE IN COMPLEX WITH YIR-821
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, HIV-1 LM/HT Clade A/E CRF01 gp120 core, ...
Authors:Tolbert, W.D, Pazgier, M.
Deposit date:2022-06-17
Release date:2023-01-11
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Characterization of a Novel CD4 Mimetic Compound YIR-821 against HIV-1 Clinical Isolates.
J.Virol., 97, 2023
3VZR
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BU of 3vzr by Molmil
Crystal structure of T173S mutant of PhaB from Ralstonia eutropha
Descriptor: Acetoacetyl-CoA reductase
Authors:Ikeda, K, Tanaka, Y, Tanaka, I, Yao, M.
Deposit date:2012-10-15
Release date:2013-08-28
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.901 Å)
Cite:Directed evolution and structural analysis of NADPH-dependent Acetoacetyl Coenzyme A (Acetoacetyl-CoA) reductase from Ralstonia eutropha reveals two mutations responsible for enhanced kinetics
Appl.Environ.Microbiol., 79, 2013
3VZQ
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BU of 3vzq by Molmil
Crystal structure of Q47L mutant of PhaB from Ralstonia eutropha
Descriptor: Acetoacetyl-CoA reductase
Authors:Ikeda, K, Tanaka, Y, Tanaka, I, Yao, M.
Deposit date:2012-10-15
Release date:2013-08-28
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Directed evolution and structural analysis of NADPH-dependent Acetoacetyl Coenzyme A (Acetoacetyl-CoA) reductase from Ralstonia eutropha reveals two mutations responsible for enhanced kinetics
Appl.Environ.Microbiol., 79, 2013
3VZP
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BU of 3vzp by Molmil
Crystal structure of PhaB from Ralstonia eutropha
Descriptor: 1,4-DIETHYLENE DIOXIDE, Acetoacetyl-CoA reductase, GLYCEROL, ...
Authors:Ikeda, K, Tanaka, Y, Tanaka, I, Yao, M.
Deposit date:2012-10-15
Release date:2013-08-28
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.792 Å)
Cite:Directed evolution and structural analysis of NADPH-dependent Acetoacetyl Coenzyme A (Acetoacetyl-CoA) reductase from Ralstonia eutropha reveals two mutations responsible for enhanced kinetics
Appl.Environ.Microbiol., 79, 2013
3VZS
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BU of 3vzs by Molmil
Crystal structure of PhaB from Ralstonia eutropha in complex with Acetoacetyl-CoA and NADP
Descriptor: ACETOACETYL-COENZYME A, Acetoacetyl-CoA reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Ikeda, K, Tanaka, Y, Tanaka, I, Yao, M.
Deposit date:2012-10-15
Release date:2013-08-28
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Directed evolution and structural analysis of NADPH-dependent Acetoacetyl Coenzyme A (Acetoacetyl-CoA) reductase from Ralstonia eutropha reveals two mutations responsible for enhanced kinetics
Appl.Environ.Microbiol., 79, 2013
5GUX
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BU of 5gux by Molmil
Cytochrome c-dependent nitric oxide reductase (cNOR) from Pseudomonas aeruginosa in complex with xenon
Descriptor: Antibody fab fragment heavy chain, Antibody fab fragment light chain, CALCIUM ION, ...
Authors:Ishii, S, Terasaka, E, Sugimoto, H, Shiro, Y, Tosha, T.
Deposit date:2016-08-31
Release date:2017-08-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Dynamics of nitric oxide controlled by protein complex in bacterial system.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5GUW
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BU of 5guw by Molmil
Complex of Cytochrome cd1 Nitrite Reductase and Nitric Oxide Reductase in Denitrification of Pseudomonas aeruginosa
Descriptor: CALCIUM ION, CHLORIDE ION, FE (III) ION, ...
Authors:Terasaka, E, Sugimoto, H, Shiro, Y, Tosha, T.
Deposit date:2016-08-31
Release date:2017-08-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Dynamics of nitric oxide controlled by protein complex in bacterial system
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
1PPP
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BU of 1ppp by Molmil
CRYSTAL STRUCTURE OF PAPAIN-E64-C COMPLEX. BINDING DIVERSITY OF E64-C TO PAPAIN S2 AND S3 SUBSITES
Descriptor: METHANOL, N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-2-METHYL-BUTANE, PAPAIN
Authors:Ishida, T.
Deposit date:1993-03-17
Release date:1994-01-31
Last modified:2012-05-09
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of papain-E64-c complex. Binding diversity of E64-c to papain S2 and S3 subsites.
Biochem.J., 287, 1992
1WYC
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BU of 1wyc by Molmil
Structure of 6-aminohexanoate-dimer hydrolase, DN mutant
Descriptor: 6-aminohexanoate-dimer hydrolase
Authors:Negoro, S, Ohki, T, Shibata, N, Mizuno, N, Wakitani, Y, Tsurukame, J, Matsumoto, K, Kawamoto, I, Takeo, M, Higuchi, Y.
Deposit date:2005-02-09
Release date:2006-02-21
Last modified:2021-11-10
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Nylon-oligomer degrading enzyme/substrate complex: catalytic mechanism of 6-aminohexanoate-dimer hydrolase
J.Mol.Biol., 370, 2007
3VYJ
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BU of 3vyj by Molmil
Crystal structure of C-type lectin domain of murine dendritic cell inhibitory receptor 2 (apo form)
Descriptor: C-type lectin domain family 4, member a4, SULFATE ION
Authors:Nagae, M, Yamanaka, K, Hanashima, S, Ikeda, A, Satoh, T, Matsumoto, N, Yamamoto, K, Yamaguchi, Y.
Deposit date:2012-09-26
Release date:2013-10-02
Last modified:2013-12-11
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Recognition of Bisecting N-Acetylglucosamine: STRUCTURAL BASIS FOR ASYMMETRIC INTERACTION WITH THE MOUSE LECTIN DENDRITIC CELL INHIBITORY RECEPTOR 2
J.Biol.Chem., 288, 2013
3VYK
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BU of 3vyk by Molmil
Crystal structure of C-type lectin domain of murine dendritic cell inhibitory receptor 2 in complex with N-glycan
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)][2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)]methyl alpha-D-mannopyranoside, C-type lectin domain family 4, ...
Authors:Nagae, M, Yamanaka, K, Hanashima, S, Ikeda, A, Satoh, T, Matsumoto, N, Yamamoto, K, Yamaguchi, Y.
Deposit date:2012-09-26
Release date:2013-10-02
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Recognition of Bisecting N-Acetylglucosamine: STRUCTURAL BASIS FOR ASYMMETRIC INTERACTION WITH THE MOUSE LECTIN DENDRITIC CELL INHIBITORY RECEPTOR 2
J.Biol.Chem., 288, 2013
7VXQ
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BU of 7vxq by Molmil
The Carbon Monoxide Complex of [NiFe]-hydrogenase (Hyb-type) from Citrobacter sp. S-77
Descriptor: CARBON MONOXIDE, FE3-S4 CLUSTER, GLYCEROL, ...
Authors:Nishikawa, K, Higuchi, K, Imanishi, T, Higuchi, Y.
Deposit date:2021-11-13
Release date:2022-02-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Structural and spectroscopic characterization of CO inhibition of [NiFe]-hydrogenase from Citrobacter sp. S-77.
Acta Crystallogr.,Sect.F, 78, 2022
2DC6
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BU of 2dc6 by Molmil
X-ray crystal structure analysis of bovine spleen cathepsin B-CA073 complex
Descriptor: BENZYL N-({(2S,3S)-3-[(PROPYLAMINO)CARBONYL]OXIRAN-2-YL}CARBONYL)-L-ISOLEUCYL-L-PROLINATE, GLYCEROL, PHOSPHATE ION, ...
Authors:Watanabe, D.
Deposit date:2005-12-28
Release date:2006-01-24
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Quantitative estimation of each active subsite of cathepsin B for the inhibitory activity, based on the inhibitory activitybinding mode relationship of a series of epoxysuccinyl inhibitors by X-ray crystal structure analyses of the complexes
To be Published
2DC7
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BU of 2dc7 by Molmil
X-ray crystal structure analysis of bovine spleen cathepsin B-CA042 complex
Descriptor: CATHEPSIN B, GLYCEROL, N-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN-2-YL]CARBONYL}-L-THREONYL-L-ISOLEUCINE, ...
Authors:Watanabe, D.
Deposit date:2005-12-31
Release date:2006-01-24
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Quantitative estimation of each active subsite of cathepsin B for the inhibitory activity, based on the inhibitory activitybinding mode relationship of a series of epoxysuccinyl inhibitors by X-ray crystal structure analyses of the complexes
To be Published
2DCC
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BU of 2dcc by Molmil
X-ray crystal structure analysis of bovine spleen cathepsin B-CA077 complex
Descriptor: BENZYL N-({(2S,3S)-3-[(BENZYLAMINO)CARBONYL]OXIRAN-2-YL}CARBONYL)-L-ISOLEUCYL-L-PROLINATE, CATHEPSIN B, GLYCEROL, ...
Authors:Watanabe, D.
Deposit date:2006-01-01
Release date:2006-01-24
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Quantitative estimation of each active subsite of cathepsin B for the inhibitory activity, based on the inhibitory activitybinding mode relationship of a series of epoxysuccinyl inhibitors by X-ray crystal structure analyses of the complexes
To be Published
2DCD
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BU of 2dcd by Molmil
X-ray crystal structure analysis of bovine spleen cathepsin B-CA078 complex
Descriptor: CATHEPSIN B, GLYCEROL, N-({(2S,3S)-3-[(BENZYLAMINO)CARBONYL]OXIRAN-2-YL}CARBONYL)-L-ISOLEUCYL-L-PROLINE, ...
Authors:Watanabe, D.
Deposit date:2006-01-01
Release date:2006-01-24
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Quantitative estimation of each active subsite of cathepsin B for the inhibitory activity, based on the inhibitory activitybinding mode relationship of a series of epoxysuccinyl inhibitors by X-ray crystal structure analyses of the complexes
To be Published
2DCB
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BU of 2dcb by Molmil
X-ray crystal structure analysis of bovine spleen cathepsin B-CA076 complex
Descriptor: CATHEPSIN B, GLYCEROL, N-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN-2-YL]CARBONYL}-L-ISOLEUCYL-L-ISOLEUCINE, ...
Authors:Watanabe, D.
Deposit date:2006-01-01
Release date:2006-01-24
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Quantitative estimation of each active subsite of cathepsin B for the inhibitory activity, based on the inhibitory activitybinding mode relationship of a series of epoxysuccinyl inhibitors by X-ray crystal structure analyses of the complexes
To be Published
2DCA
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BU of 2dca by Molmil
X-ray crystal structure analysis of bovine spleen cathepsin B-CA075 complex
Descriptor: CATHEPSIN B, GLYCEROL, N-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN-2-YL]CARBONYL}-L-ISOLEUCYL-L-ALANINE, ...
Authors:Watanabe, D.
Deposit date:2006-01-01
Release date:2006-01-24
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Quantitative estimation of each active subsite of cathepsin B for the inhibitory activity, based on the inhibitory activitybinding mode relationship of a series of epoxysuccinyl inhibitors by X-ray crystal structure analyses of the complexes
To be Published

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