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5ZCJ
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BU of 5zcj by Molmil
Crystal structure of complex
分子名称: TP53-binding protein 1, Tudor-interacting repair regulator protein
著者Wang, J, Yuan, Z, Cui, Y, Xie, R, Wang, M, Ma, Y, Yu, X, Liu, X.
登録日2018-02-17
公開日2018-06-27
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.004 Å)
主引用文献Crystal structure of complex
To Be Published
6J68
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BU of 6j68 by Molmil
Structure of KIBRA and LATS1 Complex
分子名称: Peptide from Serine/threonine-protein kinase LATS1, Protein KIBRA
著者Lin, Z, Yang, Z, Ji, Z, Zhang, M.
登録日2019-01-14
公開日2019-09-25
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.495 Å)
主引用文献Decoding WW domain tandem-mediated target recognitions in tissue growth and cell polarity.
Elife, 8, 2019
5HEX
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BU of 5hex by Molmil
Crystal Structure of Human Hexokinase 2 with cmpd 30, a 2-amino-6-benzenesulfonamide glucosamine
分子名称: 2-[(3-bromobenzene-1-carbonyl)amino]-6-{[(4-carboxy-5-methylfuran-2-yl)sulfonyl]amino}-2,6-dideoxy-alpha-D-glucopyranos e, Hexokinase-2
著者Campobasso, N, Zhao, B, Smallwood, A.
登録日2016-01-06
公開日2016-03-30
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.734 Å)
主引用文献Discovery of a Novel 2,6-Disubstituted Glucosamine Series of Potent and Selective Hexokinase 2 Inhibitors.
Acs Med.Chem.Lett., 7, 2016
5HG1
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BU of 5hg1 by Molmil
Crystal Structure of Human Hexokinase 2 with cmpd 1, a C-2-substituted glucosamine
分子名称: 2-deoxy-2-{[(2E)-3-(3,4-dichlorophenyl)prop-2-enoyl]amino}-alpha-D-glucopyranose, 6-O-phosphono-beta-D-glucopyranose, CITRATE ANION, ...
著者Campobasso, N, Zhao, B, Smallwood, A.
登録日2016-01-07
公開日2016-03-30
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.76 Å)
主引用文献Discovery of a Novel 2,6-Disubstituted Glucosamine Series of Potent and Selective Hexokinase 2 Inhibitors.
Acs Med.Chem.Lett., 7, 2016
5JAR
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BU of 5jar by Molmil
Exploitation of a Novel Binding Pocket in Human Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) Discovered Through X-Ray Fragment Screening
分子名称: (2',6-dimethyl[1,1'-biphenyl]-3-yl)(1,3-thiazol-2-yl)methanone, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Day, P.J.
登録日2016-04-12
公開日2016-05-25
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Exploitation of a Novel Binding Pocket in Human Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) Discovered through X-ray Fragment Screening.
J.Med.Chem., 59, 2016
5JAL
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BU of 5jal by Molmil
Exploitation of a Novel Binding Pocket in Human Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) Discovered Through X-Ray Fragment Screening
分子名称: (2,5-dihydro-1H-pyrrol-1-yl)(3-fluorophenyl)methanone, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Day, P.J.
登録日2016-04-12
公開日2016-05-25
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Exploitation of a Novel Binding Pocket in Human Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) Discovered through X-ray Fragment Screening.
J.Med.Chem., 59, 2016
5JAS
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BU of 5jas by Molmil
Exploitation of a Novel Binding Pocket in Human Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) Discovered Through X-Ray Fragment Screening
分子名称: CHLORIDE ION, DIMETHYL SULFOXIDE, N-(2',6-dimethyl[1,1'-biphenyl]-3-yl)-1,3-thiazol-2-amine, ...
著者Day, P.J.
登録日2016-04-12
公開日2016-05-25
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Exploitation of a Novel Binding Pocket in Human Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) Discovered through X-ray Fragment Screening.
J.Med.Chem., 59, 2016
5HFU
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BU of 5hfu by Molmil
Crystal Structure of Human Hexokinase 2 with cmpd 27, a 2-amido-6-benzenesulfonamide glucosamine
分子名称: Hexokinase-2, ~{N}-[(2~{S},3~{R},4~{R},5~{S},6~{R})-6-[[(4-cyanophenyl)sulfonylamino]methyl]-2,4,5-tris(oxidanyl)oxan-3-yl]-3-phenyl-benzamide
著者Campobasso, N, Zhao, B, Smallwood, A.
登録日2016-01-07
公開日2016-03-30
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.923 Å)
主引用文献Discovery of a Novel 2,6-Disubstituted Glucosamine Series of Potent and Selective Hexokinase 2 Inhibitors.
Acs Med.Chem.Lett., 7, 2016
5JAU
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BU of 5jau by Molmil
Exploitation of a Novel Binding Pocket in Human Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) Discovered Through X-Ray Fragment Screening
分子名称: (2S)-3-(3-{[4-(2-aminoethoxy)-2',6-dimethyl[1,1'-biphenyl]-3-yl]amino}-1H-pyrazol-1-yl)-2-methoxypropan-1-ol, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Day, P.J.
登録日2016-04-12
公開日2016-05-25
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Exploitation of a Novel Binding Pocket in Human Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) Discovered through X-ray Fragment Screening.
J.Med.Chem., 59, 2016
5JAD
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BU of 5jad by Molmil
Compound binding to Human Lipoprotein-Associated Phospholipase A2 (Lp-PLA2)discovered through fragment screening
分子名称: CHLORIDE ION, DIMETHYL SULFOXIDE, MAGNESIUM ION, ...
著者Day, P.J, Woolford, A.J.-A.
登録日2016-04-12
公開日2016-05-25
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Exploitation of a Novel Binding Pocket in Human Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) Discovered through X-ray Fragment Screening.
J.Med.Chem., 59, 2016
5JAH
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BU of 5jah by Molmil
Exploitation of a Novel Binding Pocket in Human Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) Discovered Through X-Ray Fragment Screening
分子名称: 1,5,5-trimethylimidazolidine-2,4-dione, CHLORIDE ION, Platelet-activating factor acetylhydrolase
著者Day, P.J.
登録日2016-04-12
公開日2016-05-25
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Exploitation of a Novel Binding Pocket in Human Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) Discovered through X-ray Fragment Screening.
J.Med.Chem., 59, 2016
5JAO
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BU of 5jao by Molmil
Exploitation of a Novel Binding Pocket in Human Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) Discovered Through X-Ray Fragment Screening
分子名称: 2'-chloro-6-methyl[1,1'-biphenyl]-3-amine, CALCIUM ION, CHLORIDE ION, ...
著者Day, P.J.
登録日2016-04-12
公開日2016-05-25
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Exploitation of a Novel Binding Pocket in Human Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) Discovered through X-ray Fragment Screening.
J.Med.Chem., 59, 2016
5JAP
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BU of 5jap by Molmil
Exploitation of a Novel Binding Pocket in Human Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) Discovered Through X-Ray Fragment Screening
分子名称: (2,5-dihydro-1H-pyrrol-1-yl)(2',6-dimethyl[1,1'-biphenyl]-3-yl)methanone, CALCIUM ION, CHLORIDE ION, ...
著者Day, P.J.
登録日2016-04-12
公開日2016-05-25
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.46 Å)
主引用文献Exploitation of a Novel Binding Pocket in Human Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) Discovered through X-ray Fragment Screening.
J.Med.Chem., 59, 2016
5JAN
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BU of 5jan by Molmil
Exploitation of a Novel Binding Pocket in Human Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) Discovered Through X-Ray Fragment Screening
分子名称: 1,3-dimethyl-6-(2-methylpropoxy)pyrimidine-2,4(1H,3H)-dione, CALCIUM ION, CHLORIDE ION, ...
著者Day, P.J.
登録日2016-04-12
公開日2016-05-25
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Exploitation of a Novel Binding Pocket in Human Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) Discovered through X-ray Fragment Screening.
J.Med.Chem., 59, 2016
5JAT
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BU of 5jat by Molmil
Exploitation of a Novel Binding Pocket in Human Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) Discovered Through X-Ray Fragment Screening
分子名称: 3-{2-[(2',6-dimethyl[1,1'-biphenyl]-3-yl)amino]-1,3-thiazol-4-yl}propan-1-ol, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Day, P.J.
登録日2016-04-12
公開日2016-05-25
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Exploitation of a Novel Binding Pocket in Human Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) Discovered through X-ray Fragment Screening.
J.Med.Chem., 59, 2016
2FTD
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BU of 2ftd by Molmil
Crystal structure of Cathepsin K complexed with 7-Methyl-Substituted Azepan-3-one compound
分子名称: Cathepsin K, N-[(1S)-1-({[(3S,4S,7R)-3-HYDROXY-7-METHYL-1-(PYRIDIN-2-YLSULFONYL)-2,3,4,7-TETRAHYDRO-1H-AZEPIN-4-YL]AMINO}CARBONYL)-3-METHYLBUTYL]-1-BENZOFURAN-2-CARBOXAMIDE
著者Yamashita, D.S, Baoguang, Z.
登録日2006-01-24
公開日2007-01-30
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Structure activity relationships of 5-, 6-, and 7-methyl-substituted azepan-3-one cathepsin K inhibitors.
J.Med.Chem., 49, 2006
8J69
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BU of 8j69 by Molmil
Crystal structure of HORMA domain-containing protein 1 (HORMAD1) from Homo sapiens
分子名称: HORMA domain-containing protein 1
著者Yang, X.Y, Liu, X.H.
登録日2023-04-25
公開日2023-09-20
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.67 Å)
主引用文献Structural and biochemical insights into the interaction mechanism underlying HORMAD1 and its partner proteins.
Structure, 31, 2023
5ZQY
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BU of 5zqy by Molmil
Crystal structure of a poly(ADP-ribose) glycohydrolase
分子名称: MAGNESIUM ION, Poly(ADP-ribose) glycohydrolase ARH3, [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE
著者Wang, M, Yuan, Z, Ma, Y, Wang, J, Liu, X.
登録日2018-04-20
公開日2018-08-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.577 Å)
主引用文献Structure-function analyses reveal the mechanism of the ARH3-dependent hydrolysis of ADP-ribosylation.
J. Biol. Chem., 293, 2018
8WKJ
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BU of 8wkj by Molmil
The crystal structure of aspartate aminotransferases Lpg0070 from Legionella pneumophila
分子名称: Aminotransferase, PYRIDOXAL-5'-PHOSPHATE
著者Gao, Y.S, Hua, L, Xie, R.
登録日2023-09-27
公開日2023-12-06
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure of an aspartate aminotransferase Lpg0070 from Legionella pneumophila.
Biochem.Biophys.Res.Commun., 689, 2023
8WOU
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BU of 8wou by Molmil
The crystal structure of aspartate aminotransferases Lpg0070 from Legionella pneumophila
分子名称: Aminotransferase, SULFATE ION
著者Gao, Y.S, Hua, L, Xie, R.
登録日2023-10-07
公開日2023-12-06
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Crystal structure of an aspartate aminotransferase Lpg0070 from Legionella pneumophila.
Biochem.Biophys.Res.Commun., 689, 2023
6JJY
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BU of 6jjy by Molmil
Crystal Structure of KIBRA and beta-Dystroglycan
分子名称: Peptide from Dystroglycan, Protein KIBRA, SULFATE ION
著者Lin, Z, Yang, Z, Ji, Z, Zhang, M.
登録日2019-02-27
公開日2019-09-25
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.298 Å)
主引用文献Decoding WW domain tandem-mediated target recognitions in tissue growth and cell polarity.
Elife, 8, 2019
6JK1
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BU of 6jk1 by Molmil
Crystal Structure of YAP1 and Dendrin complex 2
分子名称: Dendrin,Transcriptional coactivator YAP1
著者Lin, Z, Yang, Z, Ji, Z, Zhang, M.
登録日2019-02-27
公開日2019-09-25
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Decoding WW domain tandem-mediated target recognitions in tissue growth and cell polarity.
Elife, 8, 2019
6JJW
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BU of 6jjw by Molmil
Crystal Structure of KIBRA and PTPN14 complex
分子名称: CHLORIDE ION, FORMIC ACID, GLYCEROL, ...
著者Lin, Z, Yang, Z, Ji, Z, Zhang, M.
登録日2019-02-27
公開日2019-09-25
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Decoding WW domain tandem-mediated target recognitions in tissue growth and cell polarity.
Elife, 8, 2019
6JJZ
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BU of 6jjz by Molmil
Crystal Structure of MAGI2 and Dendrin complex
分子名称: ACETATE ION, Membrane-associated guanylate kinase, WW and PDZ domain-containing protein 2, ...
著者Lin, Z, Zhang, H, Yang, Z, Ji, Z, Zhang, M, Zhu, J.
登録日2019-02-27
公開日2019-09-25
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Decoding WW domain tandem-mediated target recognitions in tissue growth and cell polarity.
Elife, 8, 2019
6JJX
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BU of 6jjx by Molmil
Crystal Structure of KIBRA and Angiomotin complex
分子名称: Peptide from Angiomotin, Protein KIBRA
著者Lin, Z, Yang, Z, Ji, Z, Zhang, M.
登録日2019-02-27
公開日2019-09-25
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Decoding WW domain tandem-mediated target recognitions in tissue growth and cell polarity.
Elife, 8, 2019

 

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