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3ML9
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BU of 3ml9 by Molmil
Discovery of the Highly Potent PI3K/mTOR Dual Inhibitor PF-04691502 through Structure Based Drug Design
Descriptor: 2-amino-8-[trans-4-(2-hydroxyethoxy)cyclohexyl]-6-(6-methoxypyridin-3-yl)-4-methylpyrido[2,3-d]pyrimidin-7(8H)-one, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
Authors:Knighton, D.R.
Deposit date:2010-04-16
Release date:2010-06-02
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Discovery of the Highly Potent PI3K/mTOR Dual Inhibitor PF-04979064 through Structure-Based Drug Design.
ACS Med Chem Lett, 4, 2013
5Y1U
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BU of 5y1u by Molmil
Crystal structure of RBBP4 bound to AEBP2 RRK motif
Descriptor: Histone-binding protein RBBP4, SULFATE ION, Zinc finger protein AEBP2
Authors:Sun, A, Li, F, Wu, J, Shi, Y.
Deposit date:2017-07-21
Release date:2018-04-18
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.141 Å)
Cite:Structural and biochemical insights into human zinc finger protein AEBP2 reveals interactions with RBBP4
Protein Cell, 2017
3ML8
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BU of 3ml8 by Molmil
Discovery of the Highly Potent PI3K/mTOR Dual Inhibitor PF-04691502 through Structure Based Drug Design
Descriptor: 8-cyclopentyl-6-[3-(hydroxymethyl)phenyl]-4-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-7(8H)-one, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
Authors:Knighton, D.R.
Deposit date:2010-04-16
Release date:2010-06-02
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Discovery of the Highly Potent PI3K/mTOR Dual Inhibitor PF-04979064 through Structure-Based Drug Design.
ACS Med Chem Lett, 4, 2013
7X2G
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BU of 7x2g by Molmil
Cryo-EM structure of Coxsackievirus B1 empty particle in complex with nAb nAb 2E6 (CVB1-E:2E6)
Descriptor: 2E6 heavy chain, 2E6 light chain, VP2, ...
Authors:Zheng, Q, Zhu, R, Sun, H, Cheng, T, Li, S, Xia, N.
Deposit date:2022-02-25
Release date:2022-09-28
Last modified:2022-10-05
Method:ELECTRON MICROSCOPY (3.58 Å)
Cite:Structural basis for the synergistic neutralization of coxsackievirus B1 by a triple-antibody cocktail.
Cell Host Microbe, 30, 2022
7X2I
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BU of 7x2i by Molmil
Cryo-EM structure of Coxsackievirus B1 pre-A particle in complex with nAb 2E6 (CVB1-pre-A:2E6)
Descriptor: 2E6 heavy chain, 2E6 light chain, Capsid protein VP4, ...
Authors:Zheng, Q, Zhu, R, Sun, H, Cheng, T, Li, S, Xia, N.
Deposit date:2022-02-25
Release date:2022-09-28
Last modified:2022-10-05
Method:ELECTRON MICROSCOPY (3.29 Å)
Cite:Structural basis for the synergistic neutralization of coxsackievirus B1 by a triple-antibody cocktail.
Cell Host Microbe, 30, 2022
7X2O
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BU of 7x2o by Molmil
Cryo-EM structure of Coxsackievirus B1 mature virion in complex with nAb 2E6 (CVB1-M:2E6)
Descriptor: 2E6 heavy chain, 2E6 light chain, Capsid protein VP4, ...
Authors:Zheng, Q, Zhu, R, Sun, H, Cheng, T, Li, S, Xia, N.
Deposit date:2022-02-25
Release date:2022-09-28
Last modified:2022-10-05
Method:ELECTRON MICROSCOPY (3.15 Å)
Cite:Structural basis for the synergistic neutralization of coxsackievirus B1 by a triple-antibody cocktail.
Cell Host Microbe, 30, 2022
7X2W
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BU of 7x2w by Molmil
Cryo-EM structure of Coxsackievirus B1 pre-A particle in complex with nAb 8A10 (CVB1-pre-A:8A10)
Descriptor: 8A10 heavy chain, 8A10 light chain, Capsid protein VP4, ...
Authors:Zheng, Q, Zhu, R, Sun, H, Cheng, T, Li, S, Xia, N.
Deposit date:2022-02-26
Release date:2022-09-28
Last modified:2022-10-05
Method:ELECTRON MICROSCOPY (3.24 Å)
Cite:Structural basis for the synergistic neutralization of coxsackievirus B1 by a triple-antibody cocktail.
Cell Host Microbe, 30, 2022
7X49
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BU of 7x49 by Molmil
Cryo-EM structure of Coxsackievirus B1 mature virion in complex with nAb 8A10 (classified from CVB1 mature virion in complex with 8A10 and 9A3)
Descriptor: 8A10 heavy chain, 8A10 light chain, Capsid protein VP4, ...
Authors:Zheng, Q, Zhu, R, Sun, H, Cheng, T, Li, S, Xia, N.
Deposit date:2022-03-02
Release date:2022-09-28
Method:ELECTRON MICROSCOPY (3.13 Å)
Cite:Structural basis for the synergistic neutralization of coxsackievirus B1 by a triple-antibody cocktail.
Cell Host Microbe, 30, 2022
7X2T
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BU of 7x2t by Molmil
Cryo-EM structure of Coxsackievirus B1 mature virion in complex with nAb 8A10 (CVB1-M:8A10)
Descriptor: 8A10 heavy chain, 8A10 light chain, Capsid protein VP4, ...
Authors:Zheng, Q, Zhu, R, Sun, H, Cheng, T, Li, S, Xia, N.
Deposit date:2022-02-26
Release date:2022-09-28
Last modified:2022-10-05
Method:ELECTRON MICROSCOPY (3.69 Å)
Cite:Structural basis for the synergistic neutralization of coxsackievirus B1 by a triple-antibody cocktail.
Cell Host Microbe, 30, 2022
7X37
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BU of 7x37 by Molmil
Cryo-EM structure of Coxsackievirus B1 A particle in complex with nAb 2E6 (CVB1-A:2E6)
Descriptor: 2E6 heavy chain, 2E6 light chain, VP2, ...
Authors:Zheng, Q, Zhu, R, Sun, H, Cheng, T, Li, S, Xia, N.
Deposit date:2022-02-28
Release date:2022-09-28
Last modified:2022-10-05
Method:ELECTRON MICROSCOPY (3.31 Å)
Cite:Structural basis for the synergistic neutralization of coxsackievirus B1 by a triple-antibody cocktail.
Cell Host Microbe, 30, 2022
7X3E
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BU of 7x3e by Molmil
Cryo-EM structure of Coxsackievirus B1 pre-A-particle in complex with nAb 9A3 (CVB1-pre-A:9A3)
Descriptor: 9A3 heavy chain, 9A3 light chain, Capsid protein VP4, ...
Authors:Zheng, Q, Zhu, R, Sun, H, Cheng, T, Li, S, Xia, N.
Deposit date:2022-02-28
Release date:2022-09-28
Method:ELECTRON MICROSCOPY (3.44 Å)
Cite:Structural basis for the synergistic neutralization of coxsackievirus B1 by a triple-antibody cocktail.
Cell Host Microbe, 30, 2022
7X3D
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BU of 7x3d by Molmil
Cryo-EM structure of Coxsackievirus B1 mature virion in complex with nAb 9A3 (CVB1-M:9A3)
Descriptor: 9A3 heavy chain, 9A3 light chain, Capsid protein VP4, ...
Authors:Zheng, Q, Zhu, R, Sun, H, Cheng, T, Li, S, Xia, N.
Deposit date:2022-02-28
Release date:2022-09-28
Method:ELECTRON MICROSCOPY (3.48 Å)
Cite:Structural basis for the synergistic neutralization of coxsackievirus B1 by a triple-antibody cocktail.
Cell Host Microbe, 30, 2022
7X40
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BU of 7x40 by Molmil
Cryo-EM structure of Coxsackievirus B1 mature virion in complex with nAb 8A10 (classified from CVB1 mature virion in complex with 8A10 and 2E6)
Descriptor: 8A10 heavy chain, 8A10 light chain, Capsid protein VP4, ...
Authors:Zheng, Q, Zhu, R, Sun, H, Cheng, T, Li, S, Xia, N.
Deposit date:2022-03-01
Release date:2022-09-28
Method:ELECTRON MICROSCOPY (3.02 Å)
Cite:Structural basis for the synergistic neutralization of coxsackievirus B1 by a triple-antibody cocktail.
Cell Host Microbe, 30, 2022
7X46
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BU of 7x46 by Molmil
Cryo-EM structure of Coxsackievirus B1 A-particle in complex with nAb 2E6 (classified from CVB1 mature virion in complex with 8A10 and 2E6)
Descriptor: 2E6 heavy chain, 2E6 light chain, VP2, ...
Authors:Zheng, Q, Zhu, R, Sun, H, Cheng, T, Li, S, Xia, N.
Deposit date:2022-03-02
Release date:2022-09-28
Method:ELECTRON MICROSCOPY (3.85 Å)
Cite:Structural basis for the synergistic neutralization of coxsackievirus B1 by a triple-antibody cocktail.
Cell Host Microbe, 30, 2022
7X47
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BU of 7x47 by Molmil
Cryo-EM structure of Coxsackievirus B1 empty particle in complex with nAb 2E6 (classified from CVB1 mature virion in complex with 8A10 and 2E6)
Descriptor: 2E6 heavy chain, 2E6 light chain, Genome polyprotein, ...
Authors:Zheng, Q, Zhu, R, Sun, H, Cheng, T, Li, S, Xia, N.
Deposit date:2022-03-02
Release date:2022-09-28
Method:ELECTRON MICROSCOPY (3.66 Å)
Cite:Structural basis for the synergistic neutralization of coxsackievirus B1 by a triple-antibody cocktail.
Cell Host Microbe, 30, 2022
7X4K
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BU of 7x4k by Molmil
Cryo-EM structure of Coxsackievirus B1 empty particle in complex with nAb 9A3 (classified from CVB1 mature virion in complex with 8A10 and 9A3)
Descriptor: 9A3 heavy chain, 9A3 light chain, Genome polyprotein, ...
Authors:Zheng, Q, Zhu, R, Sun, H, Cheng, T, Li, S, Xia, N.
Deposit date:2022-03-02
Release date:2022-09-28
Method:ELECTRON MICROSCOPY (3.82 Å)
Cite:Structural basis for the synergistic neutralization of coxsackievirus B1 by a triple-antibody cocktail.
Cell Host Microbe, 30, 2022
7X3C
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BU of 7x3c by Molmil
Cryo-EM structure of Coxsackievirus B1 muture virion in complex with nAbs 8A10 and 5F5 (CVB1-M:8A10:5F5)
Descriptor: 5F5 heavy chain, 5F5 light chain, 8A10 heavy chain, ...
Authors:Zheng, Q, Zhu, R, Sun, H, Cheng, T, Li, S, Xia, N.
Deposit date:2022-02-28
Release date:2022-09-28
Method:ELECTRON MICROSCOPY (3.03 Å)
Cite:Structural basis for the synergistic neutralization of coxsackievirus B1 by a triple-antibody cocktail.
Cell Host Microbe, 30, 2022
7X4M
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BU of 7x4m by Molmil
Cryo-EM structure of Coxsackievirus B1 mature virion in complex with nAb 8A10 (classified from CVB1 mature virion in complex with 8A10, 2E6 and 9A3)
Descriptor: 8A10 heavy chain, 8A10 light chain, Capsid protein VP4, ...
Authors:Zheng, Q, Zhu, R, Sun, H, Cheng, T, Li, S, Xia, N.
Deposit date:2022-03-02
Release date:2022-09-28
Method:ELECTRON MICROSCOPY (3.34 Å)
Cite:Structural basis for the synergistic neutralization of coxsackievirus B1 by a triple-antibody cocktail.
Cell Host Microbe, 30, 2022
4HVB
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BU of 4hvb by Molmil
Catalytic unit of PI3Kg in complex with PI3K/mTOR dual inhibitor PF-04979064
Descriptor: 1-{1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl}-3-methyl-8-(6-methylpyridin-3-yl)-1,3-dihydro-2H-imidazo[4,5-c][1,5]naphthyridin-2-one, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
Authors:Knighton, D.R, Cheng, H.
Deposit date:2012-11-05
Release date:2013-11-20
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Discovery of the Highly Potent PI3K/mTOR Dual Inhibitor PF-04979064 through Structure-Based Drug Design.
ACS Med Chem Lett, 4, 2013
4EUE
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BU of 4eue by Molmil
Crystal structure of Clostridium acetobutulicum trans-2-enoyl-CoA reductase in complex with NADH
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Putative reductase CA_C0462, SODIUM ION
Authors:Hu, K, Zhao, M, Zhang, T, Yang, S, Ding, J.
Deposit date:2012-04-25
Release date:2012-11-28
Last modified:2013-07-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structures of trans-2-enoyl-CoA reductases from Clostridium acetobutylicum and Treponema denticola: insights into the substrate specificity and the catalytic mechanism
Biochem.J., 449, 2013
4EUH
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BU of 4euh by Molmil
Crystal structure of Clostridium acetobutulicum trans-2-enoyl-CoA reductase apo form
Descriptor: Putative reductase CA_C0462, SODIUM ION
Authors:Hu, K, Zhao, M, Zhang, T, Yang, S, Ding, J.
Deposit date:2012-04-25
Release date:2012-11-28
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structures of trans-2-enoyl-CoA reductases from Clostridium acetobutylicum and Treponema denticola: insights into the substrate specificity and the catalytic mechanism
Biochem.J., 449, 2013
8H0P
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BU of 8h0p by Molmil
Structure of the NMB30-NMBR and Gq complex
Descriptor: G-alpha q, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Li, C, Xu, Y, Liu, H, Cai, H, Xu, H.E, Yin, W.
Deposit date:2022-09-30
Release date:2023-08-09
Method:ELECTRON MICROSCOPY (3.15 Å)
Cite:Molecular recognition of itch-associated neuropeptides by bombesin receptors
Cell Res., 33, 2023
8H0Q
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BU of 8h0q by Molmil
Structure of the GRP14-27-GRPR-Gq complex
Descriptor: CHOLESTEROL, G-alpha q, GRP, ...
Authors:Li, C, Xu, Y, Liu, H, Cai, H, Xu, H.E, Yin, W.
Deposit date:2022-09-30
Release date:2023-08-09
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Molecular recognition of itch-associated neuropeptides by bombesin receptors
Cell Res., 33, 2023
4JZR
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BU of 4jzr by Molmil
Structure of Prolyl Hydroxylase Domain-containing Protein (PHD) with Inhibitors
Descriptor: 1,2-ETHANEDIOL, 2-(biphenyl-4-yl)-8-[(1-methyl-1H-imidazol-2-yl)methyl]-2,8-diazaspiro[4.5]decan-1-one, Egl nine homolog 1, ...
Authors:Ma, Y, Yang, L.
Deposit date:2013-04-03
Release date:2013-10-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Novel complex crystal structure of prolyl hydroxylase domain-containing protein 2 (PHD2): 2,8-Diazaspiro[4.5]decan-1-ones as potent, orally bioavailable PHD2 inhibitors
Bioorg.Med.Chem., 21, 2013
4FBG
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BU of 4fbg by Molmil
Crystal structure of Treponema denticola trans-2-enoyl-CoA reductase in complex with NAD
Descriptor: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Putative reductase TDE_0597
Authors:Hu, K, Zhao, M, Zhang, T, Yang, S, Ding, J.
Deposit date:2012-05-23
Release date:2012-11-28
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (3.02 Å)
Cite:Structures of trans-2-enoyl-CoA reductases from Clostridium acetobutylicum and Treponema denticola: insights into the substrate specificity and the catalytic mechanism
Biochem.J., 449, 2013

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