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7VNH
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BU of 7vnh by Molmil
drosophlia AHR PAS-B domain bound by the antagonist alpha-naphthoflavone
分子名称: 2-PHENYL-4H-BENZO[H]CHROMEN-4-ONE, Ahr homolog spineless
著者Dai, S.Y.
登録日2021-10-11
公開日2022-04-13
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.402 Å)
主引用文献Structural insight into the ligand binding mechanism of aryl hydrocarbon receptor.
Nat Commun, 13, 2022
7VRE
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BU of 7vre by Molmil
The crystal structure of EGFR T790M/C797S with the inhibitor HCD2892
分子名称: 5-chloranyl-N-[5-chloranyl-2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-4-(1-ethylsulfonylindol-3-yl)pyrimidin-2-amine, Epidermal growth factor receptor
著者Zhu, S.J.
登録日2021-10-22
公開日2022-06-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.507 Å)
主引用文献Conformational Constrained 4-(1-Sulfonyl-3-indol)yl-2-phenylaminopyrimidine Derivatives as New Fourth-Generation Epidermal Growth Factor Receptor Inhibitors Targeting T790M/C797S Mutations.
J.Med.Chem., 65, 2022
7VRA
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The crystal structure of EGFR T790M/C797S with the inhibitor HC5476
分子名称: 25-chloro-11-(ethylsulfonyl)-44-morpholino-11H-5,12-dioxa-3-aza-1(3,6)-indola-2(4,2)-pyrimidina-4(1,3)-benzenacyclododecaphane, Epidermal growth factor receptor
著者Zhu, S.J.
登録日2021-10-22
公開日2022-06-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献Conformational Constrained 4-(1-Sulfonyl-3-indol)yl-2-phenylaminopyrimidine Derivatives as New Fourth-Generation Epidermal Growth Factor Receptor Inhibitors Targeting T790M/C797S Mutations.
J.Med.Chem., 65, 2022
7V29
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BU of 7v29 by Molmil
Crystal structure of FGFR4 with a dual-warhead covalent inhhibitor
分子名称: Fibroblast growth factor receptor 4, N-[2-[[3-(3,5-dimethoxyphenyl)-2-oxidanylidene-1-[3-(4-propanoylpiperazin-1-yl)propyl]-4H-pyrimido[4,5-d]pyrimidin-7-yl]amino]phenyl]propanamide, SULFATE ION
著者Chen, X.J, Jiang, L.Y, Dai, S.Y, Qu, L.Z, Chen, Y.H.
登録日2021-08-07
公開日2022-03-30
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.983 Å)
主引用文献Structure-based design of a dual-warhead covalent inhibitor of FGFR4.
Commun Chem, 5, 2022
7E5Y
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BU of 7e5y by Molmil
Molecular basis for neutralizing antibody 2B11 targeting SARS-CoV-2 RBD
分子名称: 2B11 Fab Heavy chain, 2B11 Fab Light chain, Spike protein S1
著者Wu, H, Yu, F, Wang, Q.S, Zhou, H, Wang, W.W, Zhao, T, Pan, Y.B, Yang, X.M.
登録日2021-02-21
公開日2021-06-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.59 Å)
主引用文献Screening of potent neutralizing antibodies against SARS-CoV-2 using convalescent patients-derived phage-display libraries.
Cell Discov, 7, 2021
3SJQ
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BU of 3sjq by Molmil
Crystal structure of a small conductance potassium channel splice variant complexed with calcium-calmodulin
分子名称: 1-phenylurea, CALCIUM ION, Calmodulin, ...
著者Zhang, M, Pascal, J.M, Zhang, J.-F.
登録日2011-06-21
公開日2012-05-30
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural basis for calmodulin as a dynamic calcium sensor.
Structure, 20, 2012
5VZ4
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BU of 5vz4 by Molmil
Receptor-growth factor crystal structure at 2.20 Angstrom resolution
分子名称: 1,2-ETHANEDIOL, BROMIDE ION, GDNF family receptor alpha-like, ...
著者Lakshminarasimhan, D, White, A, Suto, R.K.
登録日2017-05-26
公開日2017-09-27
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Non-homeostatic body weight regulation through a brainstem-restricted receptor for GDF15.
Nature, 550, 2017
7FDK
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BU of 7fdk by Molmil
SARS-COV-2 Spike RBDMACSp36 binding to mACE2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Spike protein S1
著者Wang, X, Cao, L.
登録日2021-07-16
公開日2021-08-25
最終更新日2022-03-23
実験手法ELECTRON MICROSCOPY (3.69 Å)
主引用文献Characterization and structural basis of a lethal mouse-adapted SARS-CoV-2.
Nat Commun, 12, 2021
7FDH
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BU of 7fdh by Molmil
SARS-COV-2 Spike RBDMACSp25 binding to hACE2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Spike protein S1
著者Wang, X, Cao, L.
登録日2021-07-16
公開日2021-08-25
最終更新日2022-03-23
実験手法ELECTRON MICROSCOPY (3.72 Å)
主引用文献Characterization and structural basis of a lethal mouse-adapted SARS-CoV-2.
Nat Commun, 12, 2021
7FDI
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BU of 7fdi by Molmil
SARS-COV-2 Spike RBDMACSp36 binding to hACE2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Spike protein S1
著者Wang, X, Cao, L.
登録日2021-07-16
公開日2021-08-25
最終更新日2022-03-23
実験手法ELECTRON MICROSCOPY (3.12 Å)
主引用文献Characterization and structural basis of a lethal mouse-adapted SARS-CoV-2.
Nat Commun, 12, 2021
7FDG
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BU of 7fdg by Molmil
SARS-COV-2 Spike RBDMACSp6 binding to hACE2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Spike protein S1
著者Wang, X, Cao, L.
登録日2021-07-16
公開日2021-08-25
最終更新日2022-03-23
実験手法ELECTRON MICROSCOPY (3.69 Å)
主引用文献Characterization and structural basis of a lethal mouse-adapted SARS-CoV-2.
Nat Commun, 12, 2021
7C43
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BU of 7c43 by Molmil
The crystal structure of Trypanosoma brucei RNase D : AMP complex
分子名称: ADENOSINE MONOPHOSPHATE, CCHC-type domain-containing protein, MANGANESE (II) ION, ...
著者Gao, Y.Q, Gan, J.H.
登録日2020-05-14
公開日2021-04-07
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural basis for guide RNA trimming by RNase D ribonuclease in Trypanosoma brucei.
Nucleic Acids Res., 49, 2021
7C4C
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BU of 7c4c by Molmil
The crystal structure of Trypanosoma brucei RNase D : GMP complex
分子名称: CCHC-type domain-containing protein, GUANOSINE-5'-MONOPHOSPHATE, MANGANESE (II) ION, ...
著者Gao, Y.Q, Gan, J.H.
登録日2020-05-15
公開日2021-04-07
実験手法X-RAY DIFFRACTION (2.265 Å)
主引用文献Structural basis for guide RNA trimming by RNase D ribonuclease in Trypanosoma brucei.
Nucleic Acids Res., 49, 2021
7C4B
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BU of 7c4b by Molmil
The crystal structure of Trypanosoma brucei RNase D : UMP complex
分子名称: CCHC-type domain-containing protein, MANGANESE (II) ION, URIDINE-5'-MONOPHOSPHATE, ...
著者Gao, Y.Q, Gan, J.H.
登録日2020-05-15
公開日2021-04-07
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.101 Å)
主引用文献Structural basis for guide RNA trimming by RNase D ribonuclease in Trypanosoma brucei.
Nucleic Acids Res., 49, 2021
7C45
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BU of 7c45 by Molmil
The crystal structure of Trypanosoma brucei RNase D complex with RNA U12
分子名称: CALCIUM ION, CCHC-type domain-containing protein, RNA (5'-R(*UP*UP*UP*UP*UP*UP*UP*UP*UP*U)-3'), ...
著者Gao, Y.Q, Gan, J.H.
登録日2020-05-15
公開日2021-04-07
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.769 Å)
主引用文献Structural basis for guide RNA trimming by RNase D ribonuclease in Trypanosoma brucei.
Nucleic Acids Res., 49, 2021
7C47
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BU of 7c47 by Molmil
The crystal structure of Trypanosoma brucei RNase D : CMP complex
分子名称: CCHC-type domain-containing protein, CYTIDINE-5'-MONOPHOSPHATE, MANGANESE (II) ION, ...
著者Gao, Y.Q, Gan, J.H.
登録日2020-05-15
公開日2021-04-07
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural basis for guide RNA trimming by RNase D ribonuclease in Trypanosoma brucei.
Nucleic Acids Res., 49, 2021
7C42
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BU of 7c42 by Molmil
The crystal structure of Trypanosoma brucei RNase D
分子名称: CCHC-type domain-containing protein, ZINC ION
著者Gao, Y.Q, Gan, J.H.
登録日2020-05-14
公開日2021-04-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural basis for guide RNA trimming by RNase D ribonuclease in Trypanosoma brucei.
Nucleic Acids Res., 49, 2021
3RBQ
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BU of 3rbq by Molmil
Co-crystal structure of human UNC119 (retina gene 4) and an N-terminal Transducin-alpha mimicking peptide
分子名称: Guanine nucleotide-binding protein G(t) subunit alpha-1, Protein unc-119 homolog A
著者Constantine, R, Whitby, F.G, Hill, C.P, Baehr, W.
登録日2011-03-29
公開日2011-06-08
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献UNC119 is required for G protein trafficking in sensory neurons.
Nat.Neurosci., 14, 2011
7WZX
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BU of 7wzx by Molmil
The structure of a Twitch Radical SAM Dehydrogenase SpeY
分子名称: (2~{S},4~{S},6~{R})-2-[(2~{S},3~{R},5~{S},6~{R})-3,5-bis(methylamino)-2,4,6-tris(oxidanyl)cyclohexyl]oxy-6-methyl-4-oxidanyl-oxan-3-one, 4Fe-4S cluster-binding domain-containing protein, GLYCEROL, ...
著者Hou, X.L, Zhou, J.H.
登録日2022-02-19
公開日2022-12-28
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.980013 Å)
主引用文献Dioxane Bridge Formation during the Biosynthesis of Spectinomycin Involves a Twitch Radical S -Adenosyl Methionine Dehydrogenase That May Have Evolved from an Epimerase.
J.Am.Chem.Soc., 144, 2022
7WZV
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BU of 7wzv by Molmil
The structure of a Twitch Radical SAM Dehydrogenase SpeY
分子名称: (1~{S},2~{R},4~{S},5~{R})-2,4-bis(methylamino)-6-[(2~{S},3~{R},4~{S},6~{R})-6-methyl-3,4-bis(oxidanyl)oxan-2-yl]oxy-cyclohexane-1,3,5-triol, 1,2-ETHANEDIOL, 4Fe-4S cluster-binding domain-containing protein, ...
著者Zhou, J.H, Hou, X.L.
登録日2022-02-19
公開日2022-12-28
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.899313 Å)
主引用文献Dioxane Bridge Formation during the Biosynthesis of Spectinomycin Involves a Twitch Radical S -Adenosyl Methionine Dehydrogenase That May Have Evolved from an Epimerase.
J.Am.Chem.Soc., 144, 2022
7X0B
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BU of 7x0b by Molmil
The structure of a Twitch Radical SAM Dehydrogenase SpeY
分子名称: 4Fe-4S cluster-binding domain-containing protein, CHLORIDE ION, GLYCEROL, ...
著者Hou, X.L, Zhou, J.H.
登録日2022-02-21
公開日2022-12-28
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.02027535 Å)
主引用文献Dioxane Bridge Formation during the Biosynthesis of Spectinomycin Involves a Twitch Radical S -Adenosyl Methionine Dehydrogenase That May Have Evolved from an Epimerase.
J.Am.Chem.Soc., 144, 2022
4ANE
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BU of 4ane by Molmil
R80N MUTANT OF NUCLEOSIDE DIPHOSPHATE KINASE FROM MYCOBACTERIUM TUBERCULOSIS
分子名称: CITRIC ACID, NUCLEOSIDE DIPHOSPHATE KINASE
著者Georgescauld, F, Moynie, L, Habersetzer, J, Lascu, I, Dautant, A.
登録日2012-03-16
公開日2013-03-13
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure of Mycobacterium Tuberculosis Nucleoside Diphosphate Kinase R80N Mutant in Complex with Citrate
Acta Crystallogr.,Sect.D, 70, 2014
4ANC
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BU of 4anc by Molmil
CRYSTAL FORM I OF THE D93N MUTANT OF NUCLEOSIDE DIPHOSPHATE KINASE FROM MYCOBACTERIUM TUBERCULOSIS
分子名称: NUCLEOSIDE DIPHOSPHATE KINASE
著者Georgescauld, F, Moynie, L, Habersetzer, J, Lascu, I, Dautant, A.
登録日2012-03-16
公開日2013-03-13
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Intersubunit Ionic Interactions Stabilize the Nucleoside Diphosphate Kinase of Mycobacterium Tuberculosis.
Plos One, 8, 2013
4AND
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BU of 4and by Molmil
CRYSTAL FORM II OF THE D93N MUTANT OF NUCLEOSIDE DIPHOSPHATE KINASE FROM MYCOBACTERIUM TUBERCULOSIS
分子名称: NUCLEOSIDE DIPHOSPHATE KINASE
著者Georgescauld, F, Moynie, L, Habersetzer, J, Lascu, I, Dautant, A.
登録日2012-03-16
公開日2013-03-13
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.808 Å)
主引用文献Intersubunit Ionic Interactions Stabilize the Nucleoside Diphosphate Kinase of Mycobacterium Tuberculosis.
Plos One, 8, 2013
3RPM
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BU of 3rpm by Molmil
Crystal structure of the first GH20 domain of a novel Beta-N-acetyl-hexosaminidase StrH from Streptococcus pneumoniae R6
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-N-acetyl-hexosaminidase, PENTAETHYLENE GLYCOL
著者Jiang, Y.L, Yu, W.L, Zhang, J.W.
登録日2011-04-27
公開日2011-10-26
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural basis for the substrate specificity of a novel beta-N-acetylhexosaminidase StrH protein from Streptococcus pneumoniae R6
J.Biol.Chem., 286, 2011

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