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3VHA
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Hsp90 alpha N-terminal domain in complex with a macrocyclic inhibitor
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 22-methyl-13,18-dioxa-7-thia-3,5-diazatetracyclo[17.3.1.1~2,6~.1~8,12~]pentacosa-1(23),2(25),3,5,8(24),9,11,19,21-nonaen-4-amine, Heat shock protein HSP 90-alpha
著者Fukami, T.A, Ono, N.
登録日2011-08-24
公開日2012-07-18
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.39 Å)
主引用文献Design and synthesis of novel macrocyclic 2-amino-6-arylpyrimidine Hsp90 inhibitors
Bioorg.Med.Chem.Lett., 22, 2012
2CZN
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BU of 2czn by Molmil
Solution structure of the chitin-binding domain of hyperthermophilic chitinase from pyrococcus furiosus
分子名称: chitinase
著者Uegaki, T, Ikegami, T, Nakamura, T, Hagihara, Y, Mine, S, Inoue, T, Matsumura, H, Ataka, M, Ishikawa, K.
登録日2005-07-13
公開日2006-07-18
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Tertiary structure and carbohydrate recognition by the chitin-binding domain of a hyperthermophilic chitinase from Pyrococcus furiosus.
J.Mol.Biol., 381, 2008
3VHC
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BU of 3vhc by Molmil
Hsp90 alpha N-terminal domain in complex with a macrocyclic inhibitor
分子名称: 4-amino-20,22-dimethyl-13-oxa-7-thia-3,5,17-triazatetracyclo[17.3.1.1~2,6~.1~8,12~]pentacosa-1(23),2(25),3,5,8(24),9,11,19,21-nonaen-18-one, Heat shock protein HSP 90-alpha, MAGNESIUM ION
著者Fukami, T.A, Ono, N.
登録日2011-08-24
公開日2012-07-18
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献Design and synthesis of novel macrocyclic 2-amino-6-arylpyrimidine Hsp90 inhibitors
Bioorg.Med.Chem.Lett., 22, 2012
3VUC
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Human renin in complex with compound 5
分子名称: (2R,4S,5S)-5-amino-6-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]-2-ethyl-4-hydroxy-N-[(1R,2S,3S,5S,7S)-5-hydroxytricyclo[3.3.1.1~3,7~]dec-2-yl]hexanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin
著者Takahashi, M, Matsui, Y, Hanzawa, H.
登録日2012-06-26
公開日2013-05-15
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Discovery of DS-8108b, a Novel Orally Bioavailable Renin Inhibitor.
Acs Med.Chem.Lett., 3, 2012
3VHD
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BU of 3vhd by Molmil
Hsp90 alpha N-terminal domain in complex with a macrocyclic inhibitor, CH5164840
分子名称: 4-amino-18,20-dimethyl-7-thia-3,5,11,15-tetraazatricyclo[15.3.1.1(2,6)]docosa-1(20),2,4,6(22),17(21),18-hexaene-10,16-dione, Heat shock protein HSP 90-alpha
著者Fukami, T.A, Ono, N.
登録日2011-08-24
公開日2012-07-18
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Design and synthesis of novel macrocyclic 2-amino-6-arylpyrimidine Hsp90 inhibitors
Bioorg.Med.Chem.Lett., 22, 2012
5X2V
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BU of 5x2v by Molmil
Crystal structure of Pseudomonas putida methionine gamma-lyase wild type without sulfate ion
分子名称: L-methionine gamma-lyase
著者Shiba, T, Sato, D, Harada, S.
登録日2017-02-02
公開日2017-04-12
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural and mechanistic insights into homocysteine degradation by a mutant of methionine gamma-lyase based on substrate-assisted catalysis
Protein Sci., 26, 2017
5X2Y
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Crystal structure of Pseudomonas putida methionine gamma-lyase C116H mutant without sulfate ion
分子名称: L-methionine gamma-lyase
著者Shiba, T, Sato, D, Harada, S.
登録日2017-02-02
公開日2017-04-12
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Structural and mechanistic insights into homocysteine degradation by a mutant of methionine gamma-lyase based on substrate-assisted catalysis
Protein Sci., 26, 2017
5X2W
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BU of 5x2w by Molmil
Crystal structure of Pseudomonas putida methionine gamma-lyase wild type with L-methionine intermediates
分子名称: (2E)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]-4-(methylsulfanyl)but-2-enoic acid, L-methionine gamma-lyase
著者Shiba, T, Sato, D, Harada, S.
登録日2017-02-02
公開日2017-04-12
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural and mechanistic insights into homocysteine degradation by a mutant of methionine gamma-lyase based on substrate-assisted catalysis
Protein Sci., 26, 2017
5X2Z
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BU of 5x2z by Molmil
Crystal structure of Pseudomonas putida methionine gamma-lyase C116H mutant with L-methionine intermediates
分子名称: (2E)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]-4-(methylsulfanyl)but-2-enoic acid, L-methionine gamma-lyase
著者Shiba, T, Sato, D, Harada, S.
登録日2017-02-02
公開日2017-04-12
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural and mechanistic insights into homocysteine degradation by a mutant of methionine gamma-lyase based on substrate-assisted catalysis
Protein Sci., 26, 2017
6SDG
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BU of 6sdg by Molmil
Crystal structure of the DNA binding domain of M. polymorpha Auxin Response Factor 2 (MpARF2) in complex with High Affinity DNA
分子名称: 21-7_A, 21-7_B, Auxin response factor
著者Crespo, I, Weijers, D, Boer, D.R.
登録日2019-07-27
公開日2020-04-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.96 Å)
主引用文献Design principles of a minimal auxin response system.
Nat.Plants, 6, 2020
5X30
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BU of 5x30 by Molmil
Crystal structure of Pseudomonas putida methionine gamma-lyase C116H mutant with L-homocysteine intermediates.
分子名称: (2E)-2-{[(1E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}but-2-enoic acid, (2~{S})-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]-4-sulfanyl-butanoic acid, 2-AMINO-4-MERCAPTO-BUTYRIC ACID, ...
著者Shiba, T, Sato, D, Harada, S.
登録日2017-02-02
公開日2017-04-12
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural and mechanistic insights into homocysteine degradation by a mutant of methionine gamma-lyase based on substrate-assisted catalysis
Protein Sci., 26, 2017
1IYL
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BU of 1iyl by Molmil
Crystal Structure of Candida albicans N-myristoyltransferase with Non-peptidic Inhibitor
分子名称: (1-METHYL-1H-IMIDAZOL-2-YL)-(3-METHYL-4-{3-[(PYRIDIN-3-YLMETHYL)-AMINO]-PROPOXY}-BENZOFURAN-2-YL)-METHANONE, Myristoyl-CoA:Protein N-Myristoyltransferase
著者Sogabe, S, Fukami, T.A, Morikami, K, Shiratori, Y, Aoki, Y, D'Arcy, A, Winkler, F.K, Banner, D.W, Ohtsuka, T.
登録日2002-08-29
公開日2002-12-30
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Crystal Structures of Candida albicans N-Myristoyltransferase with Two Distinct Inhibitors
CHEM.BIOL., 9, 2002
3WH5
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BU of 3wh5 by Molmil
Crystal structure of GH1 beta-glucosidase Td2F2
分子名称: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, GLYCEROL, SODIUM ION, ...
著者Jo, T, Fushinobu, S, Uchiyama, T, Yaoi, K.
登録日2013-08-21
公開日2014-09-03
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal structure and identification of a key amino acid for glucose tolerance, substrate specificity, and transglycosylation activity of metagenomic beta-glucosidase Td2F2.
Febs J., 283, 2016
4HL8
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BU of 4hl8 by Molmil
Re-refinement of the vault ribonucleoprotein particle
分子名称: Major vault protein
著者Casanas, A, Querol-Audi, J, Guerra, P, Pous, J, Tanaka, H, Tsukihara, T, Verdaguer, V, Fita, I.
登録日2012-10-16
公開日2013-06-05
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献New features of vault architecture and dynamics revealed by novel refinement using the deformable elastic network approach.
Acta Crystallogr.,Sect.D, 69, 2013
3WH6
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BU of 3wh6 by Molmil
Crystal structure of GH1 beta-glucosidase Td2F2 glucose complex
分子名称: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, SODIUM ION, alpha-D-glucopyranose, ...
著者Jo, T, Fushinobu, S, Uchiyama, T, Yaoi, K.
登録日2013-08-21
公開日2014-09-03
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal structure and identification of a key amino acid for glucose tolerance, substrate specificity, and transglycosylation activity of metagenomic beta-glucosidase Td2F2.
Febs J., 283, 2016
3WH7
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BU of 3wh7 by Molmil
Crystal structure of GH1 beta-glucosidase Td2F2 L-fucose complex
分子名称: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, SODIUM ION, beta-D-fucopyranose, ...
著者Jo, T, Fushinobu, S, Uchiyama, T, Yaoi, K.
登録日2013-08-21
公開日2014-09-03
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Crystal structure and identification of a key amino acid for glucose tolerance, substrate specificity, and transglycosylation activity of metagenomic beta-glucosidase Td2F2.
Febs J., 283, 2016
3WH8
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Crystal structure of GH1 beta-glucosidase Td2F2 isofagomine complex
分子名称: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINE, GLYCEROL, ...
著者Jo, T, Fushinobu, S, Uchiyama, T, Yaoi, K.
登録日2013-08-21
公開日2014-09-03
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure and identification of a key amino acid for glucose tolerance, substrate specificity, and transglycosylation activity of metagenomic beta-glucosidase Td2F2.
Febs J., 283, 2016
2ZZU
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BU of 2zzu by Molmil
Human Factor VIIA-Tissue Factor Complexed with ethylsulfonamide-D-5-(3-carboxybenzyloxy)-Trp-Gln-p-aminobenzamidine
分子名称: 3-[[3-[(2R)-3-[[(2S)-5-amino-1-[(4-carbamimidoylphenyl)methylamino]-1,5-dioxo-pentan-2-yl]amino]-2-(ethylsulfonylamino)-3-oxo-propyl]-1H-indol-5-yl]oxymethyl]benzoic acid, CALCIUM ION, Factor VII heavy chain, ...
著者Kadono, S, Sakamoto, A, Kikuchi, Y, Oh-Eda, M, Yabuta, N, Koga, T, Hattori, K, Shiraishi, T, Haramura, M, Sato, H, Ohta, M, Kozono, T.
登録日2009-02-25
公開日2009-03-24
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Design and synthesis of peptidomimetic factor VIIa inhibitors
Chem.Pharm.Bull., 58, 2010
4U8P
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Structure of Aspergillus fumigatus UDP-Galactopyranose mutase mutant Y317A complexed with UDP
分子名称: 1,2-ETHANEDIOL, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, SULFATE ION, ...
著者Qureshi, I.A, Chaudhary, R, Tanner, J.J.
登録日2014-08-03
公開日2014-12-03
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Contributions of Unique Active Site Residues of Eukaryotic UDP-Galactopyranose Mutases to Substrate Recognition and Active Site Dynamics.
Biochemistry, 53, 2014
4U8K
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Structure of Aspergillus fumigatus UDP-Galactopyranose mutase mutant Q107A
分子名称: 1,2-ETHANEDIOL, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, SULFATE ION, ...
著者Qureshi, I.A, Chaudhary, R, Tanner, J.J.
登録日2014-08-03
公開日2014-12-03
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Contributions of Unique Active Site Residues of Eukaryotic UDP-Galactopyranose Mutases to Substrate Recognition and Active Site Dynamics.
Biochemistry, 53, 2014
4U8M
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Structure of Aspergillus fumigatus UDP-Galactopyranose mutase mutant Y317A
分子名称: 1,2-ETHANEDIOL, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, SULFATE ION, ...
著者Qureshi, I.A, Chaudhary, R, Tanner, J.J.
登録日2014-08-03
公開日2014-12-03
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Contributions of Unique Active Site Residues of Eukaryotic UDP-Galactopyranose Mutases to Substrate Recognition and Active Site Dynamics.
Biochemistry, 53, 2014
4U8N
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Structure of Aspergillus fumigatus UDP-Galactopyranose mutase mutant F66A complexed with UDP
分子名称: 1,2-ETHANEDIOL, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, SULFATE ION, ...
著者Qureshi, I.A, Chaudhary, R, Tanner, J.J.
登録日2014-08-03
公開日2014-12-03
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Contributions of Unique Active Site Residues of Eukaryotic UDP-Galactopyranose Mutases to Substrate Recognition and Active Site Dynamics.
Biochemistry, 53, 2014
4U8L
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Structure of Aspergillus fumigatus UDP-Galactopyranose mutase mutant N207A
分子名称: 1,2-ETHANEDIOL, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, SULFATE ION, ...
著者Qureshi, I.A, Chaudhary, R, Tanner, J.J.
登録日2014-08-03
公開日2014-12-03
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Contributions of Unique Active Site Residues of Eukaryotic UDP-Galactopyranose Mutases to Substrate Recognition and Active Site Dynamics.
Biochemistry, 53, 2014
4U8J
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Structure of Aspergillus fumigatus UDP-Galactopyranose mutase mutant Y104A
分子名称: 1,2-ETHANEDIOL, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, SULFATE ION, ...
著者Qureshi, I.A, Chaudhary, R, Tanner, J.J.
登録日2014-08-03
公開日2014-12-03
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Contributions of Unique Active Site Residues of Eukaryotic UDP-Galactopyranose Mutases to Substrate Recognition and Active Site Dynamics.
Biochemistry, 53, 2014
4U8I
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Structure of Aspergillus fumigatus UDP-Galactopyranose mutase mutant F66A
分子名称: 1,2-ETHANEDIOL, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, SULFATE ION, ...
著者Qureshi, I.A, Chaudhary, R, Tanner, J.J.
登録日2014-08-03
公開日2014-12-03
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Contributions of Unique Active Site Residues of Eukaryotic UDP-Galactopyranose Mutases to Substrate Recognition and Active Site Dynamics.
Biochemistry, 53, 2014

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