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7DYB
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BU of 7dyb by Molmil
Thermotoga maritima ferritin mutant-FLAL-L
分子名称: FE (III) ION, Ferritin
著者Zhao, G, Zhang, X.
登録日2021-01-20
公開日2021-09-01
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.779 Å)
主引用文献Protein interface redesign facilitates the transformation of nanocage building blocks to 1D and 2D nanomaterials.
Nat Commun, 12, 2021
7DYA
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BU of 7dya by Molmil
Crystal structure of TmFtn with calcium ions
分子名称: CALCIUM ION, FE (III) ION, Ferritin
著者Zhang, X, Zhao, G.
登録日2021-01-20
公開日2021-09-01
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.197 Å)
主引用文献Protein interface redesign facilitates the transformation of nanocage building blocks to 1D and 2D nanomaterials.
Nat Commun, 12, 2021
5KEF
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BU of 5kef by Molmil
Structure of hypothetical Staphylococcus protein SA0856 with zinc
分子名称: ACETATE ION, PhnB protein, ZINC ION
著者Battaile, K.P, Chirgadze, Y.N, Lam, R, Chan, T, Mihajlovic, V, Romanov, V, Pai, E, Mendez, V, Chirgadze, N.Y.
登録日2016-06-09
公開日2017-01-18
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献Crystal structure of Staphylococcus aureus Zn-glyoxalase I: new subfamily of glyoxalase I family.
J. Biomol. Struct. Dyn., 36, 2018
2QN4
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BU of 2qn4 by Molmil
Structure and function study of rice bifunctional alpha-amylase/subtilisin inhibitor from Oryza sativa
分子名称: Alpha-amylase/subtilisin inhibitor
著者Peng, W.Y, Lin, Y.H, Huang, Y.C, Guan, H.H, Hsieh, Y.C, Chen, C.J.
登録日2007-07-18
公開日2008-07-22
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure and Function Study of Rice Bifunctional Alpha-Amylase/Subtilisin Inhibitor from Oryza Sativa
To be Published
6KXB
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BU of 6kxb by Molmil
Galectin-3 CRD binds to GalA trimer
分子名称: Galectin-3, alpha-D-galactopyranuronic acid-(1-4)-alpha-D-galactopyranuronic acid-(1-4)-beta-D-galactopyranuronic acid
著者Su, J.
登録日2019-09-10
公開日2020-08-26
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Topsy-turvy binding of negatively charged homogalacturonan oligosaccharides to galectin-3.
Glycobiology, 31, 2021
6LBD
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BU of 6lbd by Molmil
shrimp ferritin T158R G159R
分子名称: CHLORIDE ION, FE (III) ION, Ferritin
著者Zhao, G, Chen, H.
登録日2019-11-14
公開日2020-11-25
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.386 Å)
主引用文献Construction of thermally robust and porous shrimp ferritin crystalline for molecular encapsulation through intermolecular arginine-arginine attractions.
Food Chem, 349, 2021
7EN3
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BU of 7en3 by Molmil
Crystal structure of tubulin in complex with Tubulysin analogue TGL
分子名称: (2S,4R)-5-(4-fluorophenyl)-2-methyl-4-[[2-[(1R,3R)-4-methyl-3-[5-methylhexyl-[(2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidin-2-yl]carbonylamino]pentanoyl]amino]-1-oxidanyl-pentyl]-1,3-thiazol-4-yl]carbonylamino]pentanoic acid, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
著者Wang, Y, Li, W.
登録日2021-04-15
公開日2022-04-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.643 Å)
主引用文献The X-ray structure of tubulysin analogue TGL in complex with tubulin and three possible routes for the development of next-generation tubulysin analogues.
Biochem.Biophys.Res.Commun., 565, 2021
6LPT
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BU of 6lpt by Molmil
Crystal structure of human D-2-hydroxyglutarate dehydrogenase in complex with D-lactate (D-LAC)
分子名称: D-2-hydroxyglutarate dehydrogenase, mitochondrial, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Yang, J, Zhu, H, Ding, J.
登録日2020-01-12
公開日2021-01-13
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.621 Å)
主引用文献Structure, substrate specificity, and catalytic mechanism of human D-2-HGDH and insights into pathogenicity of disease-associated mutations.
Cell Discov, 7, 2021
7YC9
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BU of 7yc9 by Molmil
Co-crystal structure of BTK kinase domain with inhibitor
分子名称: (7~{S})-2-(4-bromanyl-3,5-dimethoxy-phenyl)-7-(1-propanoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide, 1,2-ETHANEDIOL, Tyrosine-protein kinase BTK
著者Zhou, X.
登録日2022-07-01
公開日2023-05-17
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Discovery of BGB-8035, a Highly Selective Covalent Inhibitor of Bruton's Tyrosine Kinase for B-Cell Malignancies and Autoimmune Diseases.
J.Med.Chem., 66, 2023
6LPQ
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BU of 6lpq by Molmil
Crystal structure of human D-2-hydroxyglutarate dehydrogenase in complex with D-malate (D-MAL)
分子名称: D-2-hydroxyglutarate dehydrogenase, mitochondrial, D-MALATE, ...
著者Yang, J, Zhu, H, Ding, J.
登録日2020-01-12
公開日2021-01-13
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure, substrate specificity, and catalytic mechanism of human D-2-HGDH and insights into pathogenicity of disease-associated mutations.
Cell Discov, 7, 2021
6LPN
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BU of 6lpn by Molmil
Crystal structure of human D-2-hydroxyglutarate dehydrogenase in apo form
分子名称: D-2-hydroxyglutarate dehydrogenase, mitochondrial, FLAVIN-ADENINE DINUCLEOTIDE
著者Yang, J, Zhu, H, Ding, J.
登録日2020-01-12
公開日2021-01-13
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.206 Å)
主引用文献Structure, substrate specificity, and catalytic mechanism of human D-2-HGDH and insights into pathogenicity of disease-associated mutations.
Cell Discov, 7, 2021
6LPP
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BU of 6lpp by Molmil
Crystal structure of human D-2-hydroxyglutarate dehydrogenase in complex with D-2-hydroxyglutarate (D-2-HG)
分子名称: (2R)-2-hydroxypentanedioic acid, D-2-hydroxyglutarate dehydrogenase, mitochondrial, ...
著者Yang, J, Zhu, H, Ding, J.
登録日2020-01-12
公開日2021-01-13
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Structure, substrate specificity, and catalytic mechanism of human D-2-HGDH and insights into pathogenicity of disease-associated mutations.
Cell Discov, 7, 2021
6LPU
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BU of 6lpu by Molmil
Crystal structure of human D-2-hydroxyglutarate dehydrogenase in complex with L-2-hydroxyglutarate (L-2-HG)
分子名称: (2S)-2-HYDROXYPENTANEDIOIC ACID, D-2-hydroxyglutarate dehydrogenase, mitochondrial, ...
著者Yang, J, Zhu, H, Ding, J.
登録日2020-01-12
公開日2021-01-13
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.923 Å)
主引用文献Structure, substrate specificity, and catalytic mechanism of human D-2-HGDH and insights into pathogenicity of disease-associated mutations.
Cell Discov, 7, 2021
5J8Y
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BU of 5j8y by Molmil
Crystal structure of the Scm-SAM and Sfmbt-SAM heterodimer
分子名称: Polycomb protein Scm, Polycomb protein Sfmbt
著者Frey, F, Benda, C, Mueller, J.
登録日2016-04-08
公開日2016-05-18
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Molecular basis of PRC1 targeting to Polycomb response elements by PhoRC.
Genes Dev., 30, 2016
6LPX
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BU of 6lpx by Molmil
Crystal structure of human D-2-hydroxyglutarate dehydrogenase in complex with 2-oxoglutarate (2-OG)
分子名称: 2-OXOGLUTARIC ACID, D-2-hydroxyglutarate dehydrogenase, mitochondrial, ...
著者Yang, J, Zhu, H, Ding, J.
登録日2020-01-12
公開日2021-01-13
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure, substrate specificity, and catalytic mechanism of human D-2-HGDH and insights into pathogenicity of disease-associated mutations.
Cell Discov, 7, 2021
2QN5
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BU of 2qn5 by Molmil
Crystal Structure and Functional Study of the Bowman-Birk Inhibitor from Rice Bran in Complex with Bovine Trypsin
分子名称: Bowman-Birk type bran trypsin inhibitor, Cationic trypsin
著者Li, H.T, Lin, Y.H, Guan, H.H, Hsieh, Y.C, Wang, A.H.J, Chen, C.J.
登録日2007-07-18
公開日2008-07-22
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystal Structure and Functional Study of the Bowman-Birk Inhibitor from Rice Bran in Complex with Bovine Trypsin
To be Published
2CHB
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BU of 2chb by Molmil
CHOLERA TOXIN B-PENTAMER COMPLEXED WITH GM1 PENTASACCHARIDE
分子名称: CHOLERA TOXIN, beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose-(1-4)-[N-acetyl-alpha-neuraminic acid-(2-3)]beta-D-galactopyranose, beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose-(1-4)-[N-acetyl-alpha-neuraminic acid-(2-3)]beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
著者Merritt, E.A, Hol, W.G.J.
登録日1997-06-03
公開日1997-12-03
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural studies of receptor binding by cholera toxin mutants.
Protein Sci., 6, 1997
7WCV
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BU of 7wcv by Molmil
Co-crystal structure of FTO bound to 6e
分子名称: 2-OXOGLUTARIC ACID, 2-[[2,6-bis(chloranyl)-4-pyridin-4-yl-phenyl]amino]benzoic acid, Alpha-ketoglutarate-dependent dioxygenase FTO, ...
著者Yang, C.-G, Gan, J.H.
登録日2021-12-20
公開日2022-07-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure-Activity Relationships and Antileukemia Effects of the Tricyclic Benzoic Acid FTO Inhibitors.
J.Med.Chem., 65, 2022
7WID
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BU of 7wid by Molmil
Crystal structure of Staphylococcus aureus ClpP in complex with ZG180
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, (6S,9aS)-6-[(2S)-butan-2-yl]-8-(naphthalen-1-ylmethyl)-4,7-bis(oxidanylidene)-N-[4,4,4-tris(fluoranyl)butyl]-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-1-carboxamide, ATP-dependent Clp protease proteolytic subunit, ...
著者Wei, B.Y, Gan, J.H, Yang, C.-G.
登録日2022-01-03
公開日2022-11-16
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Anti-infective therapy using species-specific activators of Staphylococcus aureus ClpP.
Nat Commun, 13, 2022
7WGS
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BU of 7wgs by Molmil
Structure of ClpP from Staphylococcus aureus in complex with (S)-ZG197
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, (6S,9aS)-6-[(2R)-butan-2-yl]-8-[(1S)-1-naphthalen-1-ylethyl]-4,7-bis(oxidanylidene)-N-[4,4,4-tris(fluoranyl)butyl]-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-1-carboxamide, ATP-dependent Clp protease proteolytic subunit
著者Yang, C.-G, Gan, J.H.
登録日2021-12-28
公開日2022-11-16
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Anti-infective therapy using species-specific activators of Staphylococcus aureus ClpP.
Nat Commun, 13, 2022
7WH5
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BU of 7wh5 by Molmil
Crystal structure of human ClpP in complex with ZG180
分子名称: (6S,9aS)-6-[(2S)-butan-2-yl]-8-(naphthalen-1-ylmethyl)-4,7-bis(oxidanylidene)-N-[4,4,4-tris(fluoranyl)butyl]-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-1-carboxamide, ATP-dependent Clp protease proteolytic subunit, mitochondrial, ...
著者Wei, B.Y, Gan, J.H, Yang, C.-G.
登録日2021-12-29
公開日2022-11-16
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献Anti-infective therapy using species-specific activators of Staphylococcus aureus ClpP.
Nat Commun, 13, 2022
7X77
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BU of 7x77 by Molmil
Ectodomain structure of per os infectivity factor 5
分子名称: Per os infectivity factor 5
著者Cao, S, Li, Z, Fu, Y.
登録日2022-03-09
公開日2022-06-22
最終更新日2022-08-10
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural Characterization of Per Os Infectivity Factor 5 (PIF5) Reveals the Essential Role of Intramolecular Interactions in Baculoviral Oral Infectivity.
J.Virol., 96, 2022
7XBZ
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BU of 7xbz by Molmil
Crystal structure of Staphylococcus aureus ClpP in complex with R-ZG197
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, (6S,9aS)-6-[(2S)-butan-2-yl]-8-[(1R)-1-naphthalen-1-ylethyl]-4,7-bis(oxidanylidene)-N-[4,4,4-tris(fluoranyl)butyl]-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-1-carboxamide, ATP-dependent Clp protease proteolytic subunit, ...
著者Wei, B.Y, Gan, J.H, Yang, C.-G.
登録日2022-03-22
公開日2022-11-16
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Anti-infective therapy using species-specific activators of Staphylococcus aureus ClpP.
Nat Commun, 13, 2022
5CSG
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BU of 5csg by Molmil
The crystal structure of beta2-microglobulin R97Q mutant
分子名称: ACETATE ION, Beta-2-microglobulin
著者de Rosa, M, Bolognesi, M, Ricagno, S.
登録日2015-07-23
公開日2016-08-10
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Conformational dynamics in crystals reveal the molecular bases for D76N beta-2 microglobulin aggregation propensity.
Nat Commun, 9, 2018
5CSB
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BU of 5csb by Molmil
The crystal structure of beta2-microglobulin D76N mutant at room temperature
分子名称: Beta-2-microglobulin
著者de Rosa, M, Mota, C.S, de Sanctis, D, Bolognesi, M, Ricagno, S.
登録日2015-07-23
公開日2016-08-10
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.719 Å)
主引用文献Conformational dynamics in crystals reveal the molecular bases for D76N beta-2 microglobulin aggregation propensity.
Nat Commun, 9, 2018

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