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5JDN
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BU of 5jdn by Molmil
Structural mechanisms of extracellular ion exchange and induced binding-site occlusion in the sodium-calcium exchanger NCX_Mj soaked with 10 mM Na+ and 10mM Sr2+
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, PENTADECANE, PENTAETHYLENE GLYCOL, ...
著者Liao, J, Jiang, Y.X, Faraldo-Gomez, J.D.
登録日2016-04-17
公開日2016-05-11
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Mechanism of extracellular ion exchange and binding-site occlusion in a sodium/calcium exchanger.
Nat.Struct.Mol.Biol., 23, 2016
6ASG
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BU of 6asg by Molmil
Crystal structure of Thermus thermophilus RNA polymerase core enzyme
分子名称: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
著者Liu, Y, Lin, W, Ying, R, Ebright, R.H.
登録日2017-08-24
公開日2018-04-11
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.8 Å)
主引用文献Structural Basis of Transcription Inhibition by Fidaxomicin (Lipiarmycin A3).
Mol. Cell, 70, 2018
5JDG
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BU of 5jdg by Molmil
Structural mechanisms of extracellular ion exchange and induced binding-site occlusion in the sodium-calcium exchanger NCX_Mj soaked with 2.5 mM Na+ and 0.1mM Ca2+
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
著者Liao, J, Jiang, Y.X, Faraldo-Gomez, J.D.
登録日2016-04-16
公開日2016-05-11
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.407 Å)
主引用文献Mechanism of extracellular ion exchange and binding-site occlusion in a sodium/calcium exchanger.
Nat.Struct.Mol.Biol., 23, 2016
5JDL
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BU of 5jdl by Molmil
Structural mechanisms of extracellular ion exchange and induced binding-site occlusion in the sodium-calcium exchanger NCX_Mj soaked with 2.5 mM Na+ and 1mM Sr2+
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CHLORIDE ION, PENTADECANE, ...
著者Liao, J, Jiang, Y.X, Faraldo-Gomez, J.D.
登録日2016-04-17
公開日2016-05-11
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.904 Å)
主引用文献Mechanism of extracellular ion exchange and binding-site occlusion in a sodium/calcium exchanger.
Nat.Struct.Mol.Biol., 23, 2016
5HXH
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BU of 5hxh by Molmil
Structural mechanisms of extracellular ion exchange and induced binding-site occlusion in the sodium-calcium exchanger NCX_Mj soaked with zero Na+ and Ca2+
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CALCIUM ION, PENTADECANE, ...
著者Liao, J, Jiang, Y.X, Faraldo-Gomez, J.D.
登録日2016-01-30
公開日2016-05-11
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.804 Å)
主引用文献Mechanism of extracellular ion exchange and binding-site occlusion in a sodium/calcium exchanger
Nat.Struct.Mol.Biol., 23, 2016
5JDM
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BU of 5jdm by Molmil
Structural mechanisms of extracellular ion exchange and induced binding-site occlusion in the sodium-calcium exchanger NCX_Mj soaked with 2.5 mM Na+ and 0.1mM Sr2+
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 3,6,9,12,15-PENTAOXAHEPTADECANE, PENTADECANE, ...
著者Liao, J, Jiang, Y.X, Faraldo-Gomez, J.D.
登録日2016-04-17
公開日2016-05-11
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.558 Å)
主引用文献Mechanism of extracellular ion exchange and binding-site occlusion in a sodium/calcium exchanger.
Nat.Struct.Mol.Biol., 23, 2016
5V84
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BU of 5v84 by Molmil
CECR2 in complex with Cpd6 (6-allyl-N,2-dimethyl-7-oxo-N-(1-(1-phenylethyl)piperidin-4-yl)-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine-4-carboxamide)
分子名称: Cat eye syndrome critical region protein 2, N,2-dimethyl-7-oxo-N-{1-[(1S)-1-phenylethyl]piperidin-4-yl}-6-(prop-2-en-1-yl)-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine-4- carboxamide, SULFATE ION
著者Murray, J.M, Kiefer, J.R, Jayaran, H, Bellon, S, Boy, F.
登録日2017-03-21
公開日2017-06-14
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献GNE-886: A Potent and Selective Inhibitor of the Cat Eye Syndrome Chromosome Region Candidate 2 Bromodomain (CECR2).
ACS Med Chem Lett, 8, 2017
6WIB
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BU of 6wib by Molmil
Next generation monomeric IgG4 Fc
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Immunoglobulin heavy constant gamma 4, ZINC ION
著者Oganesyan, V.Y, Shan, L, Dall'Acqua, W, van Dyk, N.
登録日2020-04-09
公開日2021-09-15
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献In vivo pharmacokinetic enhancement of monomeric Fc and monovalent bispecific designs through structural guidance.
Commun Biol, 4, 2021
6WMH
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BU of 6wmh by Molmil
Next generation monomeric IgG4 Fc
分子名称: Immunoglobulin heavy constant gamma 4
著者Oganesyan, V.Y, Shan, L, van Dyk, N, Dall'Acqua, W.F.
登録日2020-04-21
公開日2021-09-15
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献In vivo pharmacokinetic enhancement of monomeric Fc and monovalent bispecific designs through structural guidance.
Commun Biol, 4, 2021
6WNA
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BU of 6wna by Molmil
Next generation monomeric IgG4 Fc
分子名称: Beta-2-microglobulin, IgG receptor FcRn large subunit p51, Immunoglobulin heavy constant gamma 4, ...
著者Oganesyan, V.Y, Shan, L, van Dyk, N, Dall'Acqua, W.F.
登録日2020-04-22
公開日2021-09-15
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献In vivo pharmacokinetic enhancement of monomeric Fc and monovalent bispecific designs through structural guidance.
Commun Biol, 4, 2021
6WOL
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BU of 6wol by Molmil
Next generation monomeric IgG4 Fc bound to neonatal Fc receptor
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2-microglobulin, IgG receptor FcRn large subunit p51, ...
著者Oganesyan, V.Y, Shan, L, van Dyk, N, Dall'Acqua, W.F.
登録日2020-04-24
公開日2021-09-15
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献In vivo pharmacokinetic enhancement of monomeric Fc and monovalent bispecific designs through structural guidance.
Commun Biol, 4, 2021
6AKJ
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BU of 6akj by Molmil
The crystal structure of EMC complex
分子名称: Enhancer of rudimentary homolog,YTH domain-containing protein mmi1 fusion protein, SULFATE ION
著者Li, F.
登録日2018-09-01
公開日2019-02-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献A conserved dimer interface connects ERH and YTH family proteins to promote gene silencing.
Nat Commun, 10, 2019
6Z45
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BU of 6z45 by Molmil
CDK9-Cyclin-T1 complex bound by compound 24
分子名称: (1~{S},3~{R})-3-acetamido-~{N}-[5-chloranyl-4-(5,5-dimethyl-4,6-dihydropyrrolo[1,2-b]pyrazol-3-yl)pyridin-2-yl]cyclohexane-1-carboxamide, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Cyclin-T1, ...
著者Ferguson, A, Collie, G.W.
登録日2020-05-22
公開日2020-12-23
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (3.37 Å)
主引用文献Discovery of AZD4573, a Potent and Selective Inhibitor of CDK9 That Enables Short Duration of Target Engagement for the Treatment of Hematological Malignancies.
J.Med.Chem., 63, 2020
3PJZ
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BU of 3pjz by Molmil
Crystal Structure of the Potassium Transporter TrkH from Vibrio parahaemolyticus
分子名称: POTASSIUM ION, Potassium uptake protein TrkH
著者Cao, Y, Jin, X, Huang, H, Levin, E.J, Zhou, M, New York Consortium on Membrane Protein Structure (NYCOMPS)
登録日2010-11-10
公開日2011-01-19
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (3.506 Å)
主引用文献Crystal structure of a potassium ion transporter, TrkH.
Nature, 471, 2011
5HWY
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BU of 5hwy by Molmil
Structural mechanisms of extracellular ion exchange and induced binding-site occlusion in the sodium-calcium exchanger NCX_Mj soaked with 10 mM Na+ and zero Ca2+
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, ACETATE ION, PENTADECANE, ...
著者Liao, J, Jiang, Y.X, Faraldo-Gomez, J.D.
登録日2016-01-29
公開日2016-05-18
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.098 Å)
主引用文献Mechanism of extracellular ion exchange and binding-site occlusion in a sodium/calcium exchanger
Nat.Struct.Mol.Biol., 23, 2016
7YP1
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BU of 7yp1 by Molmil
Cryo-EM structure of EBV gHgL-gp42 in complex with mAb 10E4 (localized refinement)
分子名称: 10E4 heavy chain, 10E4 light chain, EBV gH, ...
著者Liu, L, Sun, H, Jiang, Y, Hong, J, Zheng, Q, Li, S, Chen, Y, Xia, N.
登録日2022-08-02
公開日2024-01-31
実験手法ELECTRON MICROSCOPY (3.54 Å)
主引用文献Non-overlapping epitopes on the gHgL-gp42 complex for the rational design of a triple-antibody cocktail against EBV infection.
Cell Rep Med, 4, 2023
7YOY
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BU of 7yoy by Molmil
Cryo-EM structure of EBV gHgL-gp42 in complex with mAbs 3E8 and 5E3 (localized refinement)
分子名称: 3E8 heavy chain, 3E8 light chain, 5E3 heavy chain, ...
著者Liu, L, Sun, H, Jiang, Y, Hong, J, Zheng, Q, Li, S, Chen, Y, Xia, N.
登録日2022-08-02
公開日2024-01-31
実験手法ELECTRON MICROSCOPY (3.64 Å)
主引用文献Non-overlapping epitopes on the gHgL-gp42 complex for the rational design of a triple-antibody cocktail against EBV infection.
Cell Rep Med, 4, 2023
7YP2
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BU of 7yp2 by Molmil
Cryo-EM structure of EBV gHgL-gp42 in complex with mAb 6H2 (localized refinement)
分子名称: 6H2 heavy chain, 6H2 light chain, Envelope glycoprotein H
著者Liu, L, Sun, H, Jiang, Y, Hong, J, Zheng, Q, Li, S, Chen, Y, Xia, N.
登録日2022-08-02
公開日2024-01-31
実験手法ELECTRON MICROSCOPY (3.52 Å)
主引用文献Non-overlapping epitopes on the gHgL-gp42 complex for the rational design of a triple-antibody cocktail against EBV infection.
Cell Rep Med, 4, 2023
5UQ9
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BU of 5uq9 by Molmil
Crystal structure of 6-phosphogluconate dehydrogenase with ((4R,5R)-5-(hydroxycarbamoyl)-2,2-dimethyl-1,3-dioxolan-4-yl)methyl dihydrogen phosphate
分子名称: 6-phosphogluconate dehydrogenase, decarboxylating, [(4R,5R)-5-(hydroxycarbamoyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl dihydrogen phosphate
著者Leonard, P.G.
登録日2017-02-07
公開日2018-08-22
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Functional Genomics Reveals Synthetic Lethality between Phosphogluconate Dehydrogenase and Oxidative Phosphorylation.
Cell Rep, 26, 2019
5TIJ
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BU of 5tij by Molmil
Structure of Human Enolase 2 with ((3S,5S)-1,5-dihydroxy-3-methyl-2-oxopyrrolidin-3-yl)phosphonate (purified enantiomer)
分子名称: ((3S,5S)-1,5-dihydroxy-3-methyl-2-oxopyrrolidin-3-yl)phosphonic acid, Gamma-enolase, MAGNESIUM ION
著者Leonard, P.G, Muller, F.L.
登録日2016-10-03
公開日2017-10-18
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.634 Å)
主引用文献Eradication of ENO1-deleted Glioblastoma through Collateral Lethality
Biorxiv, 2019
4ZZJ
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BU of 4zzj by Molmil
SIRT1/Activator/Substrate Complex
分子名称: (3S)-1,3-dimethyl-N-[3-(1,3-oxazol-5-yl)phenyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazine-4(1H)-carboxamide, Ac-p53, CARBA-NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者Dai, H.
登録日2015-05-22
公開日2015-07-15
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.7403 Å)
主引用文献Crystallographic structure of a small molecule SIRT1 activator-enzyme complex.
Nat Commun, 6, 2015
4HVB
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BU of 4hvb by Molmil
Catalytic unit of PI3Kg in complex with PI3K/mTOR dual inhibitor PF-04979064
分子名称: 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
著者Knighton, D.R, Cheng, H.
登録日2012-11-05
公開日2013-11-20
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Discovery of the Highly Potent PI3K/mTOR Dual Inhibitor PF-04979064 through Structure-Based Drug Design.
ACS Med Chem Lett, 4, 2013
4ZZI
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BU of 4zzi by Molmil
SIRT1/Activator/Inhibitor Complex
分子名称: (3S)-1,3-dimethyl-N-[3-(1,3-oxazol-5-yl)phenyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazine-4(1H)-carboxamide, 4-(4-{2-[(methylsulfonyl)amino]ethyl}piperidin-1-yl)thieno[3,2-d]pyrimidine-6-carboxamide, NAD-dependent protein deacetylase sirtuin-1, ...
著者Dai, H.
登録日2015-05-22
公開日2015-07-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.7346 Å)
主引用文献Crystallographic structure of a small molecule SIRT1 activator-enzyme complex.
Nat Commun, 6, 2015
4JOL
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BU of 4jol by Molmil
Complex structure of AML1-ETO NHR2 domain with HEB fragment
分子名称: Protein CBFA2T1, Transcription factor 12
著者Wang, Z, Patel, D.J.
登録日2013-03-18
公開日2013-06-26
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.906 Å)
主引用文献A stable transcription factor complex nucleated by oligomeric AML1-ETO controls leukaemogenesis.
Nature, 500, 2013
4ZZH
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BU of 4zzh by Molmil
SIRT1/Activator Complex
分子名称: (4S)-N-[3-(1,3-oxazol-5-yl)phenyl]-7-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1,4-methanopyrido[2,3-b][1,4]diazepine-5(2H)-carboxamide, NAD-dependent protein deacetylase sirtuin-1, ZINC ION
著者Dai, H.
登録日2015-05-22
公開日2015-07-15
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (3.1001 Å)
主引用文献Crystallographic structure of a small molecule SIRT1 activator-enzyme complex.
Nat Commun, 6, 2015

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