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7KYQ
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BU of 7kyq by Molmil
Crystal structure of human BCCIP beta (Native1)
分子名称: BRCA2 and CDKN1A-interacting protein
著者Choi, W.S, Liu, B, Shen, Z, Yang, W.
登録日2020-12-08
公開日2021-06-09
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (3.06 Å)
主引用文献Structure of human BCCIP and implications for binding and modification of partner proteins.
Protein Sci., 30, 2021
7KYS
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BU of 7kys by Molmil
Crystal structure of human BCCIP beta (Native2)
分子名称: 1,2-ETHANEDIOL, BRCA2 and CDKN1A-interacting protein, DI(HYDROXYETHYL)ETHER
著者Choi, W.S, Liu, B, Shen, Z, Yang, W.
登録日2020-12-08
公開日2021-06-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure of human BCCIP and implications for binding and modification of partner proteins.
Protein Sci., 30, 2021
8WD0
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BU of 8wd0 by Molmil
Crystal structure of T2R-TTL-Erianin complex
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethyl]phenol, CALCIUM ION, ...
著者Yang, J.
登録日2023-09-14
公開日2024-07-03
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献The cytotoxic natural compound erianin binds to colchicine site of beta-tubulin and overcomes taxane resistance
Bioorg.Chem., 150, 2024
5XKF
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BU of 5xkf by Molmil
Crystal structure of T2R-TTL-MPC6827 complex
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GLYCEROL, ...
著者Wang, Y, Yang, J, Wang, T, Chen, L.
登録日2017-05-07
公開日2018-04-18
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Identification of a powerful and reversible microtubule-inhibitor with efficacy against multidrug-resistant tumors
To Be Published
5XKE
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BU of 5xke by Molmil
Crystal structure of T2R-TTL-Demecolcine complex
分子名称: (7S)-1,2,3,10-tetramethoxy-7-(methylamino)-6,7-dihydro-5H-benzo[a]heptalen-9-one, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
著者Wang, Y, Yang, J, Wang, T, Chen, L.
登録日2017-05-07
公開日2018-07-04
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Identification of a powerful and reversible microtubule-inhibitor with efficacy against multidrug-resistant tumors
To Be Published
5XKG
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BU of 5xkg by Molmil
Crystal structure of T2R-TTL-CH1 complex
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-[(3-azanyl-4-methoxy-phenyl)-methyl-amino]chromen-2-one, CALCIUM ION, ...
著者Wang, Y, Yang, J, Wang, T, Chen, L.
登録日2017-05-07
公開日2018-04-18
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Identification of a powerful and reversible microtubule-inhibitor with efficacy against multidrug-resistant tumors
To Be Published
5XKH
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BU of 5xkh by Molmil
Crystal structure of T2R-TTL-CF1 complex
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-[(4-methoxy-3-oxidanyl-phenyl)-methyl-amino]chromen-2-one, CALCIUM ION, ...
著者Wang, Y, Yang, J, Wang, T, Chen, L.
登録日2017-05-07
公開日2018-06-20
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Identification of a powerful and reversible microtubule-inhibitor with efficacy against multidrug-resistant tumors
To Be Published
6W50
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BU of 6w50 by Molmil
FACTOR XIA IN COMPLEX WITH THE INHIBITOR METHYL ((10R,14S)- 14-(4-(3-CHLORO-2,6-DIFLUOROPHENYL)-6-OXO-3,6-DIHYDRO- 1(2H)-PYRIDINYL)-10-METHYL-9-OXO-8,16- DIAZATRICYCLO[13.3.1.0~2,7~]NONADECA-1(19),2,4,6,15,17- HEXAEN-5-YL)CARBAMATE
分子名称: 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ...
著者Sheriff, S.
登録日2020-03-12
公開日2020-06-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Discovery of a High Affinity, Orally Bioavailable Macrocyclic FXIa Inhibitor with Antithrombotic Activity in Preclinical Species.
J.Med.Chem., 63, 2020
7BR3
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BU of 7br3 by Molmil
Crystal structure of the protein 1
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2R)-2,3-dihydroxypropyl dodecanoate, 4-[[(1R)-2-[5-(2-fluoranyl-3-methoxy-phenyl)-3-[[2-fluoranyl-6-(trifluoromethyl)phenyl]methyl]-4-methyl-2,6-bis(oxidanylidene)pyrimidin-1-yl]-1-phenyl-ethyl]amino]butanoic acid, ...
著者Cheng, L, Shao, Z.
登録日2020-03-26
公開日2020-10-07
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.79 Å)
主引用文献Structure of the human gonadotropin-releasing hormone receptor GnRH1R reveals an unusual ligand binding mode.
Nat Commun, 11, 2020
8Y6F
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BU of 8y6f by Molmil
The crystal structure of MMPs cleavable human heavy chain ferritin
分子名称: CHLORIDE ION, FE (III) ION, Ferritin, ...
著者Yuan, C, Huang, M.
登録日2024-02-02
公開日2024-07-17
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Engineered protein cages with enhanced extracellular drug release for elevated antitumor efficacy.
Int.J.Biol.Macromol., 267, 2024
3X0F
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BU of 3x0f by Molmil
Crystal structure of the ectodomain of mouse CD81 large extracellular loop (mCD81-LEL)
分子名称: CD81 antigen, ISOPROPYL ALCOHOL
著者Zhang, M, Cui, S.
登録日2014-10-14
公開日2015-07-01
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.471 Å)
主引用文献An intramolecular bond at cluster of differentiation 81 ectodomain is important for hepatitis C virus entry.
Faseb J., 29, 2015
3X0E
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BU of 3x0e by Molmil
Crystal structure of the ectodomain of human CD81 large extracellular loop (hCD81-LEL)
分子名称: CD81 antigen, MAGNESIUM ION
著者Zhang, M, Cui, S.
登録日2014-10-14
公開日2015-07-01
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.844 Å)
主引用文献An intramolecular bond at cluster of differentiation 81 ectodomain is important for hepatitis C virus entry.
Faseb J., 29, 2015
3X0G
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BU of 3x0g by Molmil
Crystal structure of the ectodomain of African green monkey CD81 large extracellular loop (agmCD81-LEL)
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CD81
著者Zhang, M, Cui, S.
登録日2014-10-14
公開日2015-07-01
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.899 Å)
主引用文献An intramolecular bond at cluster of differentiation 81 ectodomain is important for hepatitis C virus entry.
Faseb J., 29, 2015
2ZJL
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BU of 2zjl by Molmil
Crystal structure of the human BACE1 catalytic domain in complex with N-[1-(5-bromo-2,3-dimethoxy-benzyl)-piperidin-4-yl]-4-mercapto-butyramide
分子名称: Beta-secretase 1, N-[1-(5-bromo-2,3-dimethoxybenzyl)piperidin-4-yl]-4-sulfanylbutanamide
著者Randal, M, Lam, M.B, Lu, W, Romanowski, M.J.
登録日2008-03-07
公開日2009-01-20
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Fragment-based discovery of novel BACE1 inhibitors using Tethering technology
To be Published
2ZJK
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BU of 2zjk by Molmil
Crystal structure of the human BACE1 catalytic domain in complex with 4-(4-fluoro-benzyl)-piperazine-2-carboxylic acid(3-mercapto-propyl)-amide
分子名称: (2S)-4-(4-fluorobenzyl)-N-(3-sulfanylpropyl)piperazine-2-carboxamide, Beta-secretase 1
著者Randal, M, Lam, M.B, Lu, W, Romanowski, M.J.
登録日2008-03-07
公開日2009-01-20
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Fragment-based discovery of novel BACE1 inhibitors using Tethering technology
To be Published
2ZJJ
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BU of 2zjj by Molmil
Crystal structure of the human BACE1 catalytic domain in complex with 4-(4-fluoro-benzyl)-piperazine-2-carboxylic acid (2-mercapto-ethyl)-amide
分子名称: (2S)-4-(4-fluorobenzyl)-N-(2-sulfanylethyl)piperazine-2-carboxamide, Beta-secretase 1
著者Randal, M, Lam, M.B, Romanowski, M.J.
登録日2008-03-07
公開日2009-01-20
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Fragment-based discovery of novel BACE1 inhibitors using Tethering technology
To be Published
2ZJM
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BU of 2zjm by Molmil
Crystal structure of the human BACE1 catalytic domain in complex with N-[1-(5-chloro-2-isopropoxy-3-methoxy-benzyl)-piperidin-4-yl]-2-(4-sulfamoyl-phenoxy)-acetamide
分子名称: Beta-secretase 1, N-{1-[5-chloro-3-methoxy-2-(1-methylethoxy)benzyl]piperidin-4-yl}-2-(4-sulfamoylphenoxy)acetamide
著者Allison, T.J, Pham, P, Romanowski, M.J, Munshi, S.K.
登録日2008-03-07
公開日2009-01-20
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Fragment-based discovery of novel BACE1 inhibitors using Tethering technology
To be Published
2ZJN
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BU of 2zjn by Molmil
Crystal structure of the human BACE1 catalytic domain in complex with N-[1-(5-chloro-2-isopropoxy-3-methoxy-benzyl)-piperidin-4-yl]-2-(2-methyl-4-sulfamoyl-phenoxy)-acetamide
分子名称: Beta-secretase 1, N-{1-[5-chloro-3-methoxy-2-(1-methylethoxy)benzyl]piperidin-4-yl}-2-(2-methyl-4-sulfamoylphenoxy)acetamide
著者Randal, M, Lam, M.B, Fahr, B.T, Romanowski, M.J.
登録日2008-03-07
公開日2009-01-20
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Fragment-based discovery of novel BACE1 inhibitors using Tethering technology
To be Published
2ZJH
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BU of 2zjh by Molmil
Crystal structure of the human BACE1 catalytic domain in complex with N-(1-benzyl-piperidin-4-yl)-4-mercapto-butyramide
分子名称: Beta-secretase 1, N-(1-benzylpiperidin-4-yl)-4-sulfanylbutanamide
著者Randal, M, Lam, M.B, Romanowski, M.J.
登録日2008-03-07
公開日2009-01-20
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Fragment-based discovery of novel BACE1 inhibitors using Tethering technology
To be Published
2ZJI
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BU of 2zji by Molmil
Crystal structure of the human BACE1 catalytic domain in complex with N-[1-(2,6-dimethoxy-benzyl)-piperidin-4-yl]-4-mercapto-butyramide
分子名称: Beta-secretase 1, N-[1-(2,6-dimethoxybenzyl)piperidin-4-yl]-4-sulfanylbutanamide
著者Randal, M, Lam, M.B, Romanowski, M.J.
登録日2008-03-07
公開日2009-01-20
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Fragment-based discovery of novel BACE1 inhibitors using Tethering technology
To be Published
8T6H
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BU of 8t6h by Molmil
X-ray crystal structure of PfA-M1(E319A)
分子名称: Aminopeptidase N, GLYCEROL, MAGNESIUM ION, ...
著者Webb, C.T, McGowan, S.
登録日2023-06-16
公開日2024-06-26
実験手法X-RAY DIFFRACTION (1.981 Å)
主引用文献Conformational dynamics of the Plasmodium falciparum M1 aminopeptidase.
To Be Published
2NAE
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BU of 2nae by Molmil
Membrane-bound mouse CD28 cytoplasmic tail
分子名称: T-cell-specific surface glycoprotein CD28
著者Li, H, Xu, C, Pan, W.
登録日2015-12-23
公開日2016-12-21
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Dynamic regulation of CD28 conformation and signaling by charged lipids and ions.
Nat.Struct.Mol.Biol., 24, 2017
5ZCC
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BU of 5zcc by Molmil
Crystal structure of Alpha-glucosidase in complex with maltose
分子名称: Alpha-glucosidase, CALCIUM ION, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
著者Kato, K, Saburi, W, Yao, M.
登録日2018-02-16
公開日2018-12-26
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.704 Å)
主引用文献Function and structure of GH13_31 alpha-glucosidase with high alpha-(1→4)-glucosidic linkage specificity and transglucosylation activity.
FEBS Lett., 592, 2018
5ZCE
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BU of 5zce by Molmil
Crystal structure of Alpha-glucosidase in complex with maltotetraose
分子名称: Alpha-glucosidase, CALCIUM ION, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
著者Kato, K, Saburi, W, Yao, M.
登録日2018-02-16
公開日2018-12-26
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.555 Å)
主引用文献Function and structure of GH13_31 alpha-glucosidase with high alpha-(1→4)-glucosidic linkage specificity and transglucosylation activity.
FEBS Lett., 592, 2018
5ZCD
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BU of 5zcd by Molmil
Crystal structure of Alpha-glucosidase in complex with maltotriose
分子名称: Alpha-glucosidase, CALCIUM ION, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
著者Kato, K, Saburi, W, Yao, M.
登録日2018-02-16
公開日2018-12-26
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.707 Å)
主引用文献Function and structure of GH13_31 alpha-glucosidase with high alpha-(1→4)-glucosidic linkage specificity and transglucosylation activity.
FEBS Lett., 592, 2018

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