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6IN3
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BU of 6in3 by Molmil
Crystal structure of DOT1L in complex with 18-Crown-6
Descriptor: 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, Histone-lysine N-methyltransferase, H3 lysine-79 specific, ...
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 (2.3 Å)
Cite:Crown Ethers as Transthyretin Amyloidogenesis Inhibitor
To Be Published
6IN1
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BU of 6in1 by Molmil
Crystal structure of the first bromodomain of BRD4 in complex with 18-Crown-6
Descriptor: 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, Bromodomain-containing protein 4, N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl]ethanamide, ...
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 (1.5 Å)
Cite:Crown Ethers as Transthyretin Amyloidogenesis Inhibitor
To Be Published
3JQJ
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BU of 3jqj by Molmil
Crystal structure of the molybdenum cofactor biosynthesis protein C (TTHA1789) from Thermus Theromophilus HB8
Descriptor: GLYCEROL, Molybdenum cofactor biosynthesis protein C, PHOSPHATE ION, ...
Authors:Kanaujia, S.P, Jeyakanthan, J, Nakagawa, N, Sekar, K, Baba, S, Ebihara, A, Kuramitsu, S, Shinkai, A, Shiro, Y, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2009-09-07
Release date:2010-06-30
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structures of apo and GTP-bound molybdenum cofactor biosynthesis protein MoaC from Thermus thermophilus HB8
Acta Crystallogr.,Sect.D, 66, 2010
5GJ3
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BU of 5gj3 by Molmil
Periplasmic heme-binding protein RhuT from Roseiflexus sp. RS-1 in two-heme bound form (holo-2)
Descriptor: PROTOPORPHYRIN IX CONTAINING FE, Periplasmic binding protein, ZINC ION
Authors:Rahman, M.M, Naoe, Y, Nakamura, N, Shiro, Y, Sugimoto, H.
Deposit date:2016-06-26
Release date:2017-06-28
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis for binding and transfer of heme in bacterial heme-acquisition systems.
Proteins, 85, 2017
5GIZ
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BU of 5giz by Molmil
Periplasmic heme-binding protein BhuT in apo form
Descriptor: CHLORIDE ION, Putative hemin transport system, substrate-binding protein, ...
Authors:Nakamura, N, Naoe, Y, Rahman, M.M, Shiro, Y, Sugimoto, H.
Deposit date:2016-06-26
Release date:2017-06-28
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural basis for binding and transfer of heme in bacterial heme-acquisition systems.
Proteins, 85, 2017
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
2ZCZ
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BU of 2zcz by Molmil
Crystal structures and thermostability of mutant TRAP3 A7 (ENGINEERED TRAP)
Descriptor: TRYPTOPHAN, Transcription attenuation protein mtrB
Authors:Watanabe, M, Mishima, Y, Yamashita, I, Park, S.Y, Tame, J.R.H, Heddle, J.G.
Deposit date:2007-11-15
Release date:2008-04-29
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Intersubunit linker length as a modifier of protein stability: crystal structures and thermostability of mutant TRAP.
Protein Sci., 17, 2008
8IHI
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BU of 8ihi by Molmil
Cryo-EM structure of HCA2-Gi complex with acifran
Descriptor: (5~{S})-5-methyl-4-oxidanylidene-5-phenyl-furan-2-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Suzuki, S, Nishikawa, K, Suzuki, H, Fujiyoshi, Y.
Deposit date:2023-02-22
Release date:2023-08-30
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (3.11 Å)
Cite:Structural basis of hydroxycarboxylic acid receptor signaling mechanisms through ligand binding.
Nat Commun, 14, 2023
8IHF
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BU of 8ihf by Molmil
Cryo-EM structure of HCA2-Gi complex with MK6892
Descriptor: 2-[[2,2-dimethyl-3-[3-(5-oxidanylpyridin-2-yl)-1,2,4-oxadiazol-5-yl]propanoyl]amino]cyclohexene-1-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Suzuki, S, Nishikawa, K, Suzuki, H, Fujiyoshi, Y.
Deposit date:2023-02-22
Release date:2023-08-30
Last modified:2023-12-06
Method:ELECTRON MICROSCOPY (2.97 Å)
Cite:Structural basis of hydroxycarboxylic acid receptor signaling mechanisms through ligand binding.
Nat Commun, 14, 2023
8IHK
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BU of 8ihk by Molmil
Cryo-EM structure of HCA3-Gi complex with acifran (local)
Descriptor: (5~{S})-5-methyl-4-oxidanylidene-5-phenyl-furan-2-carboxylic acid, Soluble cytochrome b562,Hydroxycarboxylic acid receptor 3
Authors:Suzuki, S, Nishikawa, K, Suzuki, H, Fujiyoshi, Y.
Deposit date:2023-02-22
Release date:2023-08-30
Last modified:2023-12-06
Method:ELECTRON MICROSCOPY (3.21 Å)
Cite:Structural basis of hydroxycarboxylic acid receptor signaling mechanisms through ligand binding.
Nat Commun, 14, 2023
8IHH
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BU of 8ihh by Molmil
Cryo-EM structure of HCA2-Gi complex with LUF6283
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-butyl-1~{H}-pyrazole-3-carboxylic acid, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Suzuki, S, Nishikawa, K, Suzuki, H, Fujiyoshi, Y.
Deposit date:2023-02-22
Release date:2023-08-30
Last modified:2023-12-06
Method:ELECTRON MICROSCOPY (3.06 Å)
Cite:Structural basis of hydroxycarboxylic acid receptor signaling mechanisms through ligand binding.
Nat Commun, 14, 2023
8IHJ
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BU of 8ihj by Molmil
Cryo-EM structure of HCA3-Gi complex with acifran
Descriptor: (5~{S})-5-methyl-4-oxidanylidene-5-phenyl-furan-2-carboxylic acid, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Suzuki, S, Nishikawa, K, Suzuki, H, Fujiyoshi, Y.
Deposit date:2023-02-22
Release date:2023-08-30
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (3.07 Å)
Cite:Structural basis of hydroxycarboxylic acid receptor signaling mechanisms through ligand binding.
Nat Commun, 14, 2023
8IHB
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BU of 8ihb by Molmil
Cryo-EM structure of HCA2-Gi complex with GSK256073
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 8-chloranyl-3-pentyl-7H-purine-2,6-dione, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Suzuki, S, Nishikawa, K, Suzuki, H, Fujiyoshi, Y.
Deposit date:2023-02-22
Release date:2023-09-13
Last modified:2023-12-06
Method:ELECTRON MICROSCOPY (2.85 Å)
Cite:Structural basis of hydroxycarboxylic acid receptor signaling mechanisms through ligand binding.
Nat Commun, 14, 2023
8J7R
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BU of 8j7r by Molmil
Cryo-EM structure of the J-K-St region of EMCV IRES in complex with eIF4G-HEAT1 and eIF4A (J-K-St/eIF4G focused)
Descriptor: Eukaryotic translation initiation factor 4 gamma 1, IRES RNA (J-K-St), MAGNESIUM ION
Authors:Suzuki, H, Fujiyoshi, Y, Imai, S, Shimada, I.
Deposit date:2023-04-28
Release date:2023-08-02
Last modified:2023-09-13
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Dynamically regulated two-site interaction of viral RNA to capture host translation initiation factor.
Nat Commun, 14, 2023
6JMW
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BU of 6jmw by Molmil
Structure of the Chromium Protoporphyrin IX-Reconstituted CYP102A1 Haem Domain with N-Abietoyl-L-Tryptophan
Descriptor: (2S)-2-[[(1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-1-yl]carbonylamino]-3-( 1H-indol-3-yl)propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, Chromium Protoporphyrin IX, ...
Authors:Stanfield, J.K, Omura, K, Kasai, C, Sugimoto, H, Shiro, Y, Watanabe, Y, Shoji, O.
Deposit date:2019-03-13
Release date:2020-03-18
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystals in Minutes: Instant On-Site Microcrystallisation of Various Flavours of the CYP102A1 (P450BM3) Haem Domain.
Angew.Chem.Int.Ed.Engl., 59, 2020
6JLV
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BU of 6jlv by Molmil
Near-Atomic Resolution Structure of the CYP102A1 Haem Domain with N-Abietoyl-L-Tryptophan
Descriptor: (2S)-2-[[(1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-1-yl]carbonylamino]-3-( 1H-indol-3-yl)propanoic acid, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Bifunctional cytochrome P450/NADPH--P450 reductase, ...
Authors:Stanfield, J.K, Kasai, C, Sugimoto, H, Shiro, Y, Watanabe, Y, Shoji, O.
Deposit date:2019-03-07
Release date:2020-03-18
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.22 Å)
Cite:Crystals in Minutes: Instant On-Site Microcrystallisation of Various Flavours of the CYP102A1 (P450BM3) Haem Domain.
Angew.Chem.Int.Ed.Engl., 59, 2020
6JMH
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BU of 6jmh by Molmil
Structure of the Oxomolybdenum Mesoporphyrin IX-Reconstituted CYP102A1 Haem Domain with N-Abietoyl-L-Tryptophan
Descriptor: (2S)-2-[[(1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-1-yl]carbonylamino]-3-( 1H-indol-3-yl)propanoic acid, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Bifunctional cytochrome P450/NADPH--P450 reductase, ...
Authors:Stanfield, J.K, Omura, K, Kasai, C, Sugimoto, H, Shiro, Y, Watanabe, Y, Shoji, O.
Deposit date:2019-03-10
Release date:2020-03-18
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Crystals in Minutes: Instant On-Site Microcrystallisation of Various Flavours of the CYP102A1 (P450BM3) Haem Domain.
Angew.Chem.Int.Ed.Engl., 59, 2020
2ZA8
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BU of 2za8 by Molmil
recombinant horse L-chain apoferritin N-terminal deletion mutant (residues 1-8)
Descriptor: CADMIUM ION, Ferritin light chain
Authors:Yamashita, I, Mishima, Y, Park, S.-Y, Heddle, J.G, Tame, J.R.H.
Deposit date:2007-10-02
Release date:2008-01-22
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Effect of N-terminal Residues on the Structural Stability of Recombinant Horse L-chain Apoferritin in an Acidic Environment
J.BIOCHEM.(TOKYO), 142, 2007
2ZD0
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BU of 2zd0 by Molmil
Crystal structures and thermostability of mutant TRAP3 A5 (ENGINEERED TRAP)
Descriptor: TRYPTOPHAN, Transcription attenuation protein mtrB
Authors:Watanabe, M, Mishima, Y, Yamashita, I, Park, S.Y, Tame, J.R.H, Heddle, J.G.
Deposit date:2007-11-15
Release date:2008-04-29
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Intersubunit linker length as a modifier of protein stability: crystal structures and thermostability of mutant TRAP.
Protein Sci., 17, 2008
2MLQ
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BU of 2mlq by Molmil
Human CCR2 Membrane-Proximal C-Terminal Region (PRO-C) in a frount bound form
Descriptor: MCP-1 receptor
Authors:Esaki, K, Yoshinaga, S, Tsuji, T, Toda, E, Terashima, Y, Saitoh, T, Kohda, D, Kohno, T, Osawa, M, Ueda, T, Shimada, I, Matsushima, K, Terasawa, H.
Deposit date:2014-03-04
Release date:2014-10-08
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural basis for the binding of the membrane-proximal C-terminal region of chemokine receptor CCR2 with the cytosolic regulator FROUNT.
Febs J., 281, 2014
2MLO
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BU of 2mlo by Molmil
Human CCR2 Membrane-Proximal C-Terminal Region (PRO-C) in a Membrane bound form
Descriptor: MCP-1 receptor
Authors:Esaki, K, Yoshinaga, S, Tsuji, T, Toda, E, Terashima, Y, Saitoh, T, Kohda, D, Kohno, T, Osawa, M, Ueda, T, Shimada, I, Matsushima, K, Terasawa, H.
Deposit date:2014-03-04
Release date:2014-10-08
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural basis for the binding of the membrane-proximal C-terminal region of chemokine receptor CCR2 with the cytosolic regulator FROUNT.
Febs J., 281, 2014
5XFA
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BU of 5xfa by Molmil
Crystal structure of NAD+-reducing [NiFe]-hydrogenase in the H2-reduced state
Descriptor: CARBONMONOXIDE-(DICYANO) IRON, FE2/S2 (INORGANIC) CLUSTER, IRON/SULFUR CLUSTER, ...
Authors:Shomura, Y, Taketa, M, Nakashima, H, Tai, H, Nakagawa, H, Ikeda, Y, Ishii, M, Igarashi, Y, Nishihara, H, Yoon, K.S, Ogo, S, Hirota, S, Higuchi, Y.
Deposit date:2017-04-09
Release date:2017-08-23
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural basis of the redox switches in the NAD(+)-reducing soluble [NiFe]-hydrogenase
Science, 357, 2017
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

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