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4LWI
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BU of 4lwi by Molmil
Crystal Structure of the human Hsp90-alpha N-domain bound to the hsp90 inhibitor FJ6
分子名称: Heat shock protein HSP 90-alpha, N-{3-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-yl}cyclopropanecarboxamide
著者Li, J, Shi, F, Xiong, B, He, J.
登録日2013-07-27
公開日2014-07-30
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Discovery of potent N-(isoxazol-5-yl)amides as HSP90 inhibitors.
Eur.J.Med.Chem., 87, 2014
8XEP
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BU of 8xep by Molmil
Crystal structure of a Legionella pneumophila type IV effector in complex with ubiquitin
分子名称: SULFATE ION, Type IV effector MavL, Ubiquitin
著者Tan, J.X, Wang, X.F, Zhou, Y, Zhu, Y.Q.
登録日2023-12-12
公開日2024-05-01
最終更新日2024-07-03
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Legionella effector LnaB is a phosphoryl-AMPylase that impairs phosphosignalling.
Nature, 2024
5CNI
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BU of 5cni by Molmil
mGlu2 with Glutamate
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, GLUTAMIC ACID, ...
著者Clawson, D.K, Atwell, S, Monn, J.A.
登録日2015-07-17
公開日2015-09-09
最終更新日2023-02-15
実験手法X-RAY DIFFRACTION (2.69 Å)
主引用文献Synthesis and Pharmacological Characterization of C4-(Thiotriazolyl)-substituted-2-aminobicyclo[3.1.0]hexane-2,6-dicarboxylates. Identification of (1R,2S,4R,5R,6R)-2-Amino-4-(1H-1,2,4-triazol-3-ylsulfanyl)bicyclo[3.1.0]hexane-2,6-dicarboxylic Acid (LY2812223), a Highly Potent, Functionally Selective mGlu2 Receptor Agonist.
J.Med.Chem., 58, 2015
5CNM
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BU of 5cnm by Molmil
mGluR3 complexed with glutamate analog
分子名称: (1R,2S,4R,5R,6R)-2-amino-4-(1H-1,2,4-triazol-3-ylsulfanyl)bicyclo[3.1.0]hexane-2,6-dicarboxylic acid, CHLORIDE ION, MAGNESIUM ION, ...
著者Monn, J.A, Clawson, D.K, McKinzie, D.
登録日2015-07-17
公開日2015-09-09
最終更新日2015-10-07
実験手法X-RAY DIFFRACTION (2.84 Å)
主引用文献Synthesis and Pharmacological Characterization of C4-(Thiotriazolyl)-substituted-2-aminobicyclo[3.1.0]hexane-2,6-dicarboxylates. Identification of (1R,2S,4R,5R,6R)-2-Amino-4-(1H-1,2,4-triazol-3-ylsulfanyl)bicyclo[3.1.0]hexane-2,6-dicarboxylic Acid (LY2812223), a Highly Potent, Functionally Selective mGlu2 Receptor Agonist.
J.Med.Chem., 58, 2015
5CH8
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BU of 5ch8 by Molmil
Crystal structure of MDLA N225Q mutant form Penicillium cyclopium
分子名称: CHLORIDE ION, GLYCEROL, Mono- and diacylglycerol lipase, ...
著者Xu, J, Xu, H, Hou, S, Liu, J.
登録日2015-07-10
公開日2016-04-20
最終更新日2017-09-27
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Lipase-Driven Epoxidation Is A Two-Stage Synergistic Process
ChemistrySelect, 4, 2016
3NI2
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BU of 3ni2 by Molmil
Crystal structures and enzymatic mechanisms of a Populus tomentosa 4-coumarate:CoA ligase
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-coumarate:CoA ligase, 5'-O-{(S)-hydroxy[3-(4-hydroxyphenyl)propoxy]phosphoryl}adenosine
著者Hu, Y, Yin, L, Gai, Y, Wang, X.X, Wang, D.C.
登録日2010-06-14
公開日2010-09-08
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structures of a Populus tomentosa 4-coumarate:CoA ligase shed light on its enzymatic mechanisms
Plant Cell, 22, 2010
3EIJ
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BU of 3eij by Molmil
Crystal structure of Pdcd4
分子名称: Programmed cell death protein 4
著者Loh, P.G.
登録日2008-09-16
公開日2009-02-17
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural basis for translational inhibition by the tumour suppressor Pdcd4
Embo J., 28, 2009
3EIQ
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BU of 3eiq by Molmil
Crystal structure of Pdcd4-eIF4A
分子名称: Eukaryotic initiation factor 4A-I, Programmed cell death protein 4
著者Loh, P.G, Cheng, Z, Song, H.
登録日2008-09-17
公開日2009-02-24
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Structural basis for translational inhibition by the tumour suppressor Pdcd4
Embo J., 28, 2009
6VET
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BU of 6vet by Molmil
Human insulin analog: [GluB10,HisA8,ArgA9,TyrB20]-DOI
分子名称: Insulin A chain, Insulin B chain
著者Menting, J.G, Chou, D.H.-C, Lawrence, M.C, Xiong, X.
登録日2020-01-02
公開日2020-06-03
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献A structurally minimized yet fully active insulin based on cone-snail venom insulin principles.
Nat.Struct.Mol.Biol., 27, 2020
6VEQ
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BU of 6veq by Molmil
Con-Ins G1 in complex with the human insulin microreceptor in turn in complex with Fv 83-7
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Con-Ins G1 B chain, Con-Ins G1a A chain, ...
著者Menting, J.G, Chou, D.H.-C, Lawrence, M.C, Xiong, X.
登録日2020-01-02
公開日2020-06-03
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (3.25 Å)
主引用文献A structurally minimized yet fully active insulin based on cone-snail venom insulin principles.
Nat.Struct.Mol.Biol., 27, 2020
8X4Z
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BU of 8x4z by Molmil
BA.2.86 Spike Trimer with ins483V mutation (3 RBD down)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
著者Yue, C, Liu, P.
登録日2023-11-16
公開日2024-06-26
実験手法ELECTRON MICROSCOPY (3.49 Å)
主引用文献Spike N354 glycosylation augments SARS-CoV-2 fitness for human adaptation through structural plasticity
Natl Sci Rev, 2024
8X56
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BU of 8x56 by Molmil
BA.2.86 Spike Trimer with T356K mutation (1 RBD up)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
著者Yue, C, Liu, P.
登録日2023-11-16
公開日2024-06-26
実験手法ELECTRON MICROSCOPY (3.93 Å)
主引用文献Spike N354 glycosylation augments SARS-CoV-2 fitness for human adaptation through structural plasticity
Natl Sci Rev, 2024
8WHZ
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BU of 8whz by Molmil
BA.2.86 RBD in complex with hACE2 (local refinement)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Processed angiotensin-converting enzyme 2, ...
著者Yue, C, Liu, P.
登録日2023-09-23
公開日2024-06-26
実験手法ELECTRON MICROSCOPY (3.93 Å)
主引用文献Spike N354 glycosylation augments SARS-CoV-2 fitness for human adaptation through structural plasticity
Natl Sci Rev, 2024
8X55
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BU of 8x55 by Molmil
BA.2.86 Spike Trimer with T356K mutation (3 RBD down)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
著者Yue, C, Liu, P.
登録日2023-11-16
公開日2024-06-26
実験手法ELECTRON MICROSCOPY (3.75 Å)
主引用文献Spike N354 glycosylation augments SARS-CoV-2 fitness for human adaptation through structural plasticity
Natl Sci Rev, 2024
8WHU
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BU of 8whu by Molmil
Spike Trimer of BA.2.86 in complex with two hACE2s
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Processed angiotensin-converting enzyme 2, ...
著者Yue, C, Liu, P.
登録日2023-09-23
公開日2024-07-03
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Spike N354 glycosylation augments SARS-CoV-2 fitness for human adaptation through structural plasticity
Natl Sci Rev, 2024
8X5R
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BU of 8x5r by Molmil
SARS-CoV-2 BA.2.75 Spike with K356T mutation (1 RBD up)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
著者Yue, C, Liu, P.
登録日2023-11-17
公開日2024-07-03
実験手法ELECTRON MICROSCOPY (3.72 Å)
主引用文献Spike N354 glycosylation augments SARS-CoV-2 fitness for human adaptation through structural plasticity
Natl Sci Rev, 2024
8X50
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BU of 8x50 by Molmil
BA.2.86 Spike Trimer with ins483V mutation (1 RBD up)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
著者Yue, C, Liu, P.
登録日2023-11-16
公開日2024-06-26
実験手法ELECTRON MICROSCOPY (3.82 Å)
主引用文献Spike N354 glycosylation augments SARS-CoV-2 fitness for human adaptation through structural plasticity
Natl Sci Rev, 2024
8X4H
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BU of 8x4h by Molmil
SARS-CoV-2 JN.1 Spike
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
著者Yue, C, Liu, P.
登録日2023-11-15
公開日2024-07-03
実験手法ELECTRON MICROSCOPY (3.65 Å)
主引用文献Spike N354 glycosylation augments SARS-CoV-2 fitness for human adaptation through structural plasticity
Natl Sci Rev, 2024
8X5Q
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BU of 8x5q by Molmil
SARS-CoV-2 BA.2.75 Spike with K356T mutation (3 RBD down)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
著者Yue, C, Liu, P.
登録日2023-11-17
公開日2024-07-03
実験手法ELECTRON MICROSCOPY (3.47 Å)
主引用文献Spike N354 glycosylation augments SARS-CoV-2 fitness for human adaptation through structural plasticity
Natl Sci Rev, 2024
8WHW
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BU of 8whw by Molmil
Spike Trimer of BA.2.86 with single RBD up
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
著者Yue, C, Liu, P.
登録日2023-09-23
公開日2024-07-03
実験手法ELECTRON MICROSCOPY (3.85 Å)
主引用文献Spike N354 glycosylation augments SARS-CoV-2 fitness for human adaptation through structural plasticity
Natl Sci Rev, 2024
8WHV
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BU of 8whv by Molmil
Spike Trimer of BA.2.86 with three RBDs down
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
著者Yue, C, Liu, P.
登録日2023-09-23
公開日2024-07-03
実験手法ELECTRON MICROSCOPY (3.32 Å)
主引用文献Spike N354 glycosylation augments SARS-CoV-2 fitness for human adaptation through structural plasticity
Natl Sci Rev, 2024
8WHS
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BU of 8whs by Molmil
Spike Trimer of BA.2.86 in complex with one hACE2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Processed angiotensin-converting enzyme 2, ...
著者Yue, C, Liu, P.
登録日2023-09-23
公開日2024-07-03
実験手法ELECTRON MICROSCOPY (3.33 Å)
主引用文献Spike N354 glycosylation augments SARS-CoV-2 fitness for human adaptation through structural plasticity
Natl Sci Rev, 2024
8XUS
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BU of 8xus by Molmil
JN.1 Spike Trimer in complex with heparan sulfate
分子名称: 2-O-sulfo-beta-L-altropyranuronic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
著者Yue, C, Liu, P.
登録日2024-01-14
公開日2024-07-03
実験手法ELECTRON MICROSCOPY (3.18 Å)
主引用文献Spike N354 glycosylation augments SARS-CoV-2 fitness for human adaptation through structural plasticity
Natl Sci Rev, 2024
4O9S
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BU of 4o9s by Molmil
Crystal structure of Retinol-Binding Protein 4 (RBP4)in complex with a non-retinoid ligand
分子名称: 1,2-ETHANEDIOL, 1-[4-(7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),2(6),8,10-tetraen-12-yl)piperazin-1-yl]-2-[2-(trifluoromethyl)phenyl]ethanone, CHLORIDE ION, ...
著者Wang, Z, Johnstone, S, Walker, N.P.
登録日2014-01-02
公開日2014-07-02
最終更新日2020-02-19
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure-assisted discovery of the first non-retinoid ligands for Retinol-Binding Protein 4.
Bioorg.Med.Chem.Lett., 24, 2014
4PSQ
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BU of 4psq by Molmil
Crystal Structure of Retinol-Binding Protein 4 (RBP4) in complex with a non-retinoid ligand
分子名称: (1-benzyl-1H-imidazol-4-yl)[4-(2-chlorophenyl)piperazin-1-yl]methanone, 1,2-ETHANEDIOL, PHOSPHATE ION, ...
著者Wang, Z, Johnstone, S, Walker, N.
登録日2014-03-07
公開日2014-07-02
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure-assisted discovery of the first non-retinoid ligands for Retinol-Binding Protein 4.
Bioorg.Med.Chem.Lett., 24, 2014

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