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5CMZ
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BU of 5cmz by Molmil
Artificial HIV fusion inhibitor AP3 fused to the C-terminus of gp41 NHR
分子名称: 1,2-ETHANEDIOL, 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, Artificial HIV entry inhibitor AP3, ...
著者Zhu, Y, Ye, S, Zhang, R.
登録日2015-07-17
公開日2015-09-16
実験手法X-RAY DIFFRACTION (2.574 Å)
主引用文献Improved Pharmacological and Structural Properties of HIV Fusion Inhibitor AP3 over Enfuvirtide: Highlighting Advantages of Artificial Peptide Strategy.
Sci Rep, 5, 2015
5CN0
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BU of 5cn0 by Molmil
Artificial HIV fusion inhibitor AP2 fused to the C-terminus of gp41 NHR
分子名称: DI(HYDROXYETHYL)ETHER, Envelope glycoprotein,AP2, MAGNESIUM ION
著者Zhu, Y, Ye, S, Zhang, R.
登録日2015-07-17
公開日2015-09-16
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.901 Å)
主引用文献Improved Pharmacological and Structural Properties of HIV Fusion Inhibitor AP3 over Enfuvirtide: Highlighting Advantages of Artificial Peptide Strategy.
Sci Rep, 5, 2015
5CMU
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BU of 5cmu by Molmil
Artificial HIV fusion inhibitor AP1 fused to the C-terminus of gp41 NHR
分子名称: Envelope glycoprotein,AP1, GLYCEROL
著者Zhu, Y, Ye, S, Zhang, R.
登録日2015-07-17
公開日2015-09-16
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.113 Å)
主引用文献Improved Pharmacological and Structural Properties of HIV Fusion Inhibitor AP3 over Enfuvirtide: Highlighting Advantages of Artificial Peptide Strategy.
Sci Rep, 5, 2015
7C2K
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BU of 7c2k by Molmil
COVID-19 RNA-dependent RNA polymerase pre-translocated catalytic complex
分子名称: Non-structural protein 7, Non-structural protein 8, RNA (29-MER), ...
著者Wang, Q, Gao, Y, Ji, W, Mu, A, Rao, Z.
登録日2020-05-07
公開日2020-06-03
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (2.93 Å)
主引用文献Structural Basis for RNA Replication by the SARS-CoV-2 Polymerase.
Cell, 182, 2020
1QBO
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BU of 1qbo by Molmil
BOVINE TRYPSIN 7-[[6-[[1-(1-IMINOETHYL)PIPERIDIN-4-YL]OXY]-2-METHYL-BENZIMIDAZOL-1-YL]METHYL]NAPHTHALENE-2-CARBOXIMIDAMID ZK-806711 INHIBITOR COMPLEX
分子名称: 7-[[6-[[1-(1-IMINOETHYL)PIPERIDIN-4-YL]OXY]-2-METHYL-BENZIMIDAZOL-1-YL]METHYL]NAPHTHALENE-2-CARBOXIMIDAMID, CALCIUM ION, PROTEIN (TRYPSIN)
著者Whitlow, M.
登録日1999-04-26
公開日2000-05-03
最終更新日2014-03-12
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystallographic analysis of potent and selective factor Xa inhibitors complexed to bovine trypsin.
Acta Crystallogr.,Sect.D, 55, 1999
6LU7
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BU of 6lu7 by Molmil
The crystal structure of COVID-19 main protease in complex with an inhibitor N3
分子名称: 3C-like proteinase, N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOXY)-4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE
著者Liu, X, Zhang, B, Jin, Z, Yang, H, Rao, Z.
登録日2020-01-26
公開日2020-02-05
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献Structure of Mprofrom SARS-CoV-2 and discovery of its inhibitors.
Nature, 582, 2020
5YTK
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BU of 5ytk by Molmil
Crystal structure of SIRT3 bound to a leucylated AceCS2
分子名称: AceCS2-KLeu, LEUCINE, LYSINE, ...
著者Li, J, Gong, W, Xu, Y.
登録日2017-11-18
公開日2017-12-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Sensing and Transmitting Intracellular Amino Acid Signals through Reversible Lysine Aminoacylations
Cell Metab., 27, 2018
7BVH
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BU of 7bvh by Molmil
Crystal structure of arabinosyltransferase EmbC2-AcpM2 complex from Mycobacterium smegmatis complexed with di-arabinose
分子名称: CALCIUM ION, Integral membrane indolylacetylinositol arabinosyltransferase EmbC, Meromycolate extension acyl carrier protein, ...
著者Zhao, Y, Zhang, L, Wu, L.J, Wang, Q, Li, J, Besra, G.S, Rao, Z.H.
登録日2020-04-10
公開日2020-04-29
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Structures of cell wall arabinosyltransferases with the anti-tuberculosis drug ethambutol.
Science, 368, 2020
7BVF
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BU of 7bvf by Molmil
Cryo-EM structure of Mycobacterium tuberculosis arabinosyltransferase EmbA-EmbB-AcpM2 in complex with ethambutol
分子名称: CALCIUM ION, CARDIOLIPIN, Ethambutol, ...
著者Zhang, L, Zhao, Y, Gao, Y, Wang, Q, Li, J, Besra, G.S, Rao, Z.
登録日2020-04-10
公開日2020-04-29
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (2.97 Å)
主引用文献Structures of cell wall arabinosyltransferases with the anti-tuberculosis drug ethambutol.
Science, 368, 2020
7BVC
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BU of 7bvc by Molmil
Cryo-EM structure of Mycobacterium smegmatis arabinosyltransferase EmbA-EmbB-AcpM2 in complex with ethambutol
分子名称: 4'-PHOSPHOPANTETHEINE, CALCIUM ION, CARDIOLIPIN, ...
著者Zhang, L, Zhao, Y, Gao, Y, Wang, Q, Li, J, Besra, G.S, Rao, Z.
登録日2020-04-10
公開日2020-04-29
最終更新日2020-07-01
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Structures of cell wall arabinosyltransferases with the anti-tuberculosis drug ethambutol.
Science, 368, 2020
7BVE
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BU of 7bve by Molmil
Cryo-EM structure of Mycobacterium smegmatis arabinosyltransferase EmbC2-AcpM2 in complex with ethambutol
分子名称: CALCIUM ION, Ethambutol, Integral membrane indolylacetylinositol arabinosyltransferase EmbC, ...
著者Zhang, L, Zhao, Y, Gao, Y, Wang, Q, Li, J, Besra, G.S, Rao, Z.
登録日2020-04-10
公開日2020-04-29
最終更新日2020-07-01
実験手法ELECTRON MICROSCOPY (2.81 Å)
主引用文献Structures of cell wall arabinosyltransferases with the anti-tuberculosis drug ethambutol.
Science, 368, 2020
7BX8
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BU of 7bx8 by Molmil
Mycobacterium smegmatis arabinosyltransferase complex EmbB2-AcpM2 in symmetric "resting state"
分子名称: Integral membrane indolylacetylinositol arabinosyltransferase EmbB, Meromycolate extension acyl carrier protein
著者Gao, R.G, Zhang, L, Wang, Q, Rao, Z.H.
登録日2020-04-17
公開日2020-05-27
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Cryo-EM snapshots of mycobacterial arabinosyltransferase complex EmbB2-AcpM2.
Protein Cell, 11, 2020
7BWR
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BU of 7bwr by Molmil
Mycobacterium smegmatis arabinosyltransferase complex EmbB2-AcpM2 in substrate DPA bound asymmetric "active state"
分子名称: CALCIUM ION, Integral membrane indolylacetylinositol arabinosyltransferase EmbB, Meromycolate extension acyl carrier protein, ...
著者Gao, R.G, Zhang, L, Wang, Q, Rao, Z.H.
登録日2020-04-15
公開日2020-05-27
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Cryo-EM snapshots of mycobacterial arabinosyltransferase complex EmbB2-AcpM2.
Protein Cell, 11, 2020
7BVG
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BU of 7bvg by Molmil
Cryo-EM structure of Mycobacterium smegmatis arabinosyltransferase EmbA-EmbB-AcpM2 in complex with di-arabinose.
分子名称: 4'-PHOSPHOPANTETHEINE, CALCIUM ION, CARDIOLIPIN, ...
著者Zhang, L, Zhao, Y, Gao, Y, Wang, Q, Li, J, Besra, G.S, Rao, Z.
登録日2020-04-10
公開日2020-04-29
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structures of cell wall arabinosyltransferases with the anti-tuberculosis drug ethambutol.
Science, 368, 2020
5LP8
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BU of 5lp8 by Molmil
Crystal structure of an asymmetric dimer of the ubiquitin ligase HUWE1
分子名称: E3 ubiquitin-protein ligase HUWE1
著者Sander, B, Lorenz, S.G.
登録日2016-08-12
公開日2017-02-22
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献A conformational switch regulates the ubiquitin ligase HUWE1.
Elife, 6, 2017
7YLL
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BU of 7yll by Molmil
Crystal structure of TTEDbh
分子名称: DNA polymerase IV, MAGNESIUM ION, PHOSPHATE ION
著者Yan, X, Tian, L, Gao, H.
登録日2022-07-26
公開日2023-12-06
実験手法X-RAY DIFFRACTION (2.6000092 Å)
主引用文献Structure and function of extreme TLS DNA polymerase TTEDbh from Thermoanaerobacter tengcongensis.
Int.J.Biol.Macromol., 253, 2023
4MY2
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BU of 4my2 by Molmil
Crystal Structure of Norrin in fusion with Maltose Binding Protein
分子名称: Maltose-binding periplasmic protein, Norrin fusion protein, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
著者Ke, J, Jurecky, C, Chen, C, Gu, X, Parker, N, Williams, B.O, Melcher, K, Xu, H.E.
登録日2013-09-27
公開日2013-11-13
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure and function of Norrin in assembly and activation of a Frizzled 4-Lrp5/6 complex.
Genes Dev., 27, 2013
6M08
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BU of 6m08 by Molmil
Crystal structure of Lp-PLA2 in complex with a novel covalent inhibitor.
分子名称: (2S)-2-[(Z)-3-[2-(diethylamino)ethyl-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]amino]-1-oxidanyl-3-oxidanylidene-prop-1-enyl]pyrrolidine-1-carboxylic acid, Platelet-activating factor acetylhydrolase
著者Hu, H.C, Xu, Y.C.
登録日2020-02-20
公開日2020-12-30
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Identification of Highly Selective Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) Inhibitors by a Covalent Fragment-Based Approach.
J.Med.Chem., 63, 2020
6M06
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BU of 6m06 by Molmil
Crystal structure of Lp-PLA2 in complex with a novel covalent inhibitor
分子名称: (2S)-2-[(Z)-1,3-bis(oxidanyl)-3-oxidanylidene-prop-1-enyl]pyrrolidine-1-carboxylic acid, Platelet-activating factor acetylhydrolase
著者Hu, H.C, Xu, Y.C.
登録日2020-02-20
公開日2020-12-30
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Identification of Highly Selective Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) Inhibitors by a Covalent Fragment-Based Approach.
J.Med.Chem., 63, 2020
6M07
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BU of 6m07 by Molmil
Crystal structure of Lp-PLA2 in complex with a novel covalent inhibitor
分子名称: (2S)-2-[(E)-3-[2-(diethylamino)ethyl-[[4-[4-(trifluoromethyl)-2-[2,2,2-tris(fluoranyl)ethoxy]phenyl]phenyl]methyl]amino]-1-oxidanyl-3-oxidanylidene-prop-1-enyl]pyrrolidine-1-carboxylic acid, Platelet-activating factor acetylhydrolase
著者Hu, H.C, Xu, Y.C.
登録日2020-02-20
公開日2020-12-30
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.64 Å)
主引用文献Identification of Highly Selective Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) Inhibitors by a Covalent Fragment-Based Approach.
J.Med.Chem., 63, 2020
5YDE
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BU of 5yde by Molmil
Crystal structure of a disease-related gene, hCDC73(1-111)
分子名称: Parafibromin
著者Sun, W, Kuang, X.L, Liu, Y.P, Tian, L.F, Yan, X.X, Xu, W.Q.
登録日2017-09-13
公開日2017-12-20
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.023 Å)
主引用文献Crystal structure of the N-terminal domain of human CDC73 and its implications for the hyperparathyroidism-jaw tumor (HPT-JT) syndrome
Sci Rep, 7, 2017
5YDF
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BU of 5ydf by Molmil
Crystal structure of a disease-related gene, hCDC73(1-100)
分子名称: Parafibromin
著者Sun, W, Kuang, X.L, Liu, Y.P, Tian, L.F, Yan, X.X, Xu, W.Q.
登録日2017-09-13
公開日2017-12-20
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.399 Å)
主引用文献Crystal structure of the N-terminal domain of human CDC73 and its implications for the hyperparathyroidism-jaw tumor (HPT-JT) syndrome
Sci Rep, 7, 2017
3OGN
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BU of 3ogn by Molmil
Crystal Structure of an Odorant-binding Protein from the Southern House Mosquito Complexed with an Oviposition Pheromone
分子名称: (1S)-1-[(2R)-6-oxotetrahydro-2H-pyran-2-yl]undecyl acetate, MAGNESIUM ION, Odorant-binding protein
著者Mao, Y, Clardy, J.
登録日2010-08-17
公開日2010-11-03
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Crystal and solution structures of an odorant-binding protein from the southern house mosquito complexed with an oviposition pheromone.
Proc.Natl.Acad.Sci.USA, 107, 2010
2KPH
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BU of 2kph by Molmil
NMR Structure of AtraPBP1 at pH 4.5
分子名称: Pheromone binding protein
著者Ames, J.
登録日2009-10-15
公開日2010-02-02
最終更新日2022-03-16
実験手法SOLUTION NMR
主引用文献NMR Structure of Navel Orangeworm Moth Pheromone-Binding Protein (AtraPBP1): Implications for pH-Sensitive Pheromone Detection .
Biochemistry, 49, 2010
1QA0
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BU of 1qa0 by Molmil
BOVINE TRYPSIN 2-AMINOBENZIMIDAZOLE COMPLEX
分子名称: 2H-BENZOIMIDAZOL-2-YLAMINE, CALCIUM ION, TRYPSIN
著者Whitlow, M.
登録日1999-04-09
公開日2000-04-10
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystallographic analysis of potent and selective factor Xa inhibitors complexed to bovine trypsin.
Acta Crystallogr.,Sect.D, 55, 1999

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