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4O1H
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BU of 4o1h by Molmil
Crystal Structure of the regulatory domain of AmeGlnR
分子名称: Transcription regulator GlnR
著者Lin, W, Wang, C, Zhang, P.
登録日2013-12-16
公開日2014-04-23
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Atypical OmpR/PhoB Subfamily Response Regulator GlnR of Actinomycetes Functions as a Homodimer, Stabilized by the Unphosphorylated Conserved Asp-focused Charge Interactions
J.Biol.Chem., 289, 2014
4YTI
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BU of 4yti by Molmil
Discovery of VX-509 (Decernotinib): A Potent and Selective Janus kinase (JAK) 3 Inhibitor for the Treatment of Autoimmune Disease
分子名称: (2R)-2-methyl-2-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-[2,2,2-tris(fluoranyl)ethyl]butanamide, Tyrosine-protein kinase JAK2
著者Zuccola, H.J, Ledeboer, M.
登録日2015-03-17
公開日2015-08-12
最終更新日2015-10-07
実験手法X-RAY DIFFRACTION (2.52 Å)
主引用文献Discovery of VX-509 (Decernotinib): A Potent and Selective Janus Kinase 3 Inhibitor for the Treatment of Autoimmune Diseases.
J.Med.Chem., 58, 2015
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
1YYB
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BU of 1yyb by Molmil
Solution structure of 1-26 fragment of human programmed cell death 5 protein
分子名称: Programmed cell death protein 5
著者Liu, D.S, Feng, Y.G, Yao, H.W, Wang, J.F.
登録日2005-02-24
公開日2005-09-13
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献The N-terminal 26-residue fragment of human programmed cell death 5 protein can form a stable alpha-helix having unique electrostatic potential character.
Biochem.J., 392, 2005
6VZP
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BU of 6vzp by Molmil
HBV wild type capsid
分子名称: Capsid protein
著者Zhao, Z, Wang, J, Zlotnick, A.
登録日2020-02-28
公開日2020-09-30
最終更新日2020-12-30
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献The Integrity of the Intradimer Interface of the Hepatitis B Virus Capsid Protein Dimer Regulates Capsid Self-Assembly.
Acs Chem.Biol., 15, 2020
4RA5
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BU of 4ra5 by Molmil
Human Protein Kinase C THETA IN COMPLEX WITH LIGAND COMPOUND 11a (6-[(1,3-Dimethyl-azetidin-3-yl)-methyl-amino]-4(R)-methyl-7-phenyl-2,10-dihydro-9-oxa-1,2,4a-triaza-phenanthren-3-one)
分子名称: (1R)-9-[(1,3-dimethylazetidin-3-yl)(methyl)amino]-1-methyl-8-phenyl-3,5-dihydro[1,2,4]triazino[3,4-c][1,4]benzoxazin-2(1H)-one, 1,2-ETHANEDIOL, HUMAN PROTEIN KINASE C THETA, ...
著者Argiriadi, M.A, George, D.M.
登録日2014-09-09
公開日2014-10-08
最終更新日2015-02-04
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献Optimized Protein Kinase C theta (PKC theta ) Inhibitors Reveal Only Modest Anti-inflammatory Efficacy in a Rodent Model of Arthritis.
J.Med.Chem., 58, 2015
5YIM
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BU of 5yim by Molmil
Structure of a Legionella effector
分子名称: SdeA
著者Feng, Y, Dong, Y, Wang, W.
登録日2017-10-05
公開日2018-05-30
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (3.394 Å)
主引用文献Structural basis of ubiquitin modification by the Legionella effector SdeA.
Nature, 557, 2018
6JE4
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BU of 6je4 by Molmil
Crystal structure of Nme1Cas9-sgRNA-dsDNA dimer mediated by double protein inhibitor AcrIIC3 monomers
分子名称: 1,2-ETHANEDIOL, AcrIIC3, CRISPR-associated endonuclease Cas9, ...
著者Sun, W, Yang, J, Cheng, Z, Liu, C, Wang, K, Huang, X, Wang, Y.
登録日2019-02-04
公開日2019-11-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.069 Å)
主引用文献Structures of Neisseria meningitidis Cas9 Complexes in Catalytically Poised and Anti-CRISPR-Inhibited States.
Mol.Cell, 76, 2019
4QQC
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BU of 4qqc by Molmil
Crystal Structure of FGF Receptor (FGFR) 4 Kinase Domain in Complex with FIIN-2, an Irreversible Tyrosine Kinase Inhibitor Capable of Overcoming FGFR Kinase Gate-Keeper Mutations
分子名称: Fibroblast growth factor receptor 4, N-(4-{[3-(3,5-dimethoxyphenyl)-7-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-2-oxo-3,4-dihydropyrimido[4,5-d]pyrimidin-1(2H)-yl]methyl}phenyl)propanamide, SULFATE ION
著者Huang, Z, Mohammadi, M.
登録日2014-06-27
公開日2014-10-29
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Development of covalent inhibitors that can overcome resistance to first-generation FGFR kinase inhibitors.
Proc.Natl.Acad.Sci.USA, 111, 2014
6JFU
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BU of 6jfu by Molmil
Crystal structure of Nme2Cas9 in complex with sgRNA and target DNA (AGGCCC PAM)
分子名称: 1,2-ETHANEDIOL, CRISPR-associated endonuclease Cas9, non-target strand, ...
著者Sun, W, Yang, J, Cheng, Z, Liu, C, Wang, K, Huang, X, Wang, Y.
登録日2019-02-12
公開日2019-11-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structures of Neisseria meningitidis Cas9 Complexes in Catalytically Poised and Anti-CRISPR-Inhibited States.
Mol.Cell, 76, 2019
4R6V
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BU of 4r6v by Molmil
Crystal Structure of FGF Receptor (FGFR) 4 Kinase Harboring the V550L Gate-Keeper Mutation in Complex with FIIN-3, an Irreversible Tyrosine Kinase Inhibitor Capable of Overcoming FGFR kinase Gate-Keeper Mutations
分子名称: Fibroblast growth factor receptor 4, N-[4-({[(2,6-dichloro-3,5-dimethoxyphenyl)carbamoyl](6-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino}methyl)phenyl]propanamide, SULFATE ION
著者Huang, Z, Mohammadi, M.
登録日2014-08-26
公開日2014-10-29
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.353 Å)
主引用文献Development of covalent inhibitors that can overcome resistance to first-generation FGFR kinase inhibitors.
Proc.Natl.Acad.Sci.USA, 111, 2014
5GMQ
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BU of 5gmq by Molmil
Structure of MERS-CoV RBD in complex with a fully human antibody MCA1
分子名称: 1,2-ETHANEDIOL, MCA1 heavy chain, MCA1 light chain, ...
著者Chen, C, Wang, J.M, Zou, T.T, Gao, X.P, Cui, S, Jin, Q.
登録日2016-07-15
公開日2017-05-31
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.703 Å)
主引用文献Human Neutralizing Monoclonal Antibody Inhibition of Middle East Respiratory Syndrome Coronavirus Replication in the Common Marmoset.
J. Infect. Dis., 215, 2017
4RA4
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BU of 4ra4 by Molmil
Crystal Structure of Human Protein Kinase C Alpha in Complex with Compound 28 ((R)-6-((3S,4S)-1,3-Dimethyl-piperidin-4-yl)-7-(2-fluoro-phenyl)-4-methyl-2,10-dihydro-9-oxa-1,2,4a-triaza-phenanthren-3-one)
分子名称: (1R)-9-[(3S,4S)-1,3-dimethylpiperidin-4-yl]-8-(2-fluorophenyl)-1-methyl-3,5-dihydro[1,2,4]triazino[3,4-c][1,4]benzoxazin-2(1H)-one, Protein kinase C
著者Argiriadi, M.A, George, D.M.
登録日2014-09-09
公開日2014-10-08
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.63 Å)
主引用文献Optimized Protein Kinase C theta (PKC theta ) Inhibitors Reveal Only Modest Anti-inflammatory Efficacy in a Rodent Model of Arthritis.
J.Med.Chem., 58, 2015
5YIJ
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BU of 5yij by Molmil
Structure of a Legionella effector with substrates
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, SdeA, Ubiquitin
著者Feng, Y, Mu, Y, Wang, H.
登録日2017-10-05
公開日2018-05-30
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.18 Å)
主引用文献Structural basis of ubiquitin modification by the Legionella effector SdeA.
Nature, 557, 2018
4TN2
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BU of 4tn2 by Molmil
NS5b in complex with lactam-thiophene carboxylic acids
分子名称: 3-[(2R)-2-cyclohexyl-5-oxopyrrolidin-1-yl]-5-phenylthiophene-2-carboxylic acid, Genome polyprotein
著者Chopra, R.
登録日2014-06-02
公開日2014-09-17
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Design and synthesis of lactam-thiophene carboxylic acids as potent hepatitis C virus polymerase inhibitors.
Bioorg.Med.Chem.Lett., 24, 2014
4TLR
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BU of 4tlr by Molmil
NS5b in complex with lactam-thiophene carboxylic acids
分子名称: 3-{(2R,5R)-5-cyclohexyl-2-[(2R)-2-hydroxypropyl]-3-oxomorpholin-4-yl}-5-(3,3-dimethylbut-1-yn-1-yl)thiophene-2-carboxylic acid, 5-cyclopropyl-2-(4-fluorophenyl)-6-[(2-hydroxyethyl)(methylsulfonyl)amino]-N-methyl-1-benzofuran-3-carboxamide, NS5b
著者Chopra, R.
登録日2014-05-30
公開日2014-12-10
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Design and synthesis of lactam-thiophene carboxylic acids as potent hepatitis C virus polymerase inhibitors.
Bioorg.Med.Chem.Lett., 24, 2014
7RCV
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BU of 7rcv by Molmil
High-resolution structure of photosystem II from the mesophilic cyanobacterium, Synechocystis sp. PCC 6803
分子名称: (3R)-beta,beta-caroten-3-ol, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ...
著者Gisriel, C.J, Brudvig, G.W.
登録日2021-07-08
公開日2021-12-29
最終更新日2022-01-05
実験手法ELECTRON MICROSCOPY (2.01 Å)
主引用文献High-resolution cryo-electron microscopy structure of photosystem II from the mesophilic cyanobacterium, Synechocystis sp. PCC 6803.
Proc.Natl.Acad.Sci.USA, 119, 2022
6W0K
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BU of 6w0k by Molmil
HBV D78S mutant capsid
分子名称: Capsid protein
著者Zhao, Z, Wang, J, Zlotnick, A.
登録日2020-03-01
公開日2020-09-30
最終更新日2020-12-30
実験手法ELECTRON MICROSCOPY (4.6 Å)
主引用文献The Integrity of the Intradimer Interface of the Hepatitis B Virus Capsid Protein Dimer Regulates Capsid Self-Assembly.
Acs Chem.Biol., 15, 2020
3LZB
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BU of 3lzb by Molmil
EGFR kinase domain complexed with an imidazo[2,1-b]thiazole inhibitor
分子名称: Epidermal growth factor receptor, N-[3-(5-{2-[(4-morpholin-4-ylphenyl)amino]pyrimidin-4-yl}imidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-phenylacetamide
著者Swinger, K.K.
登録日2010-03-01
公開日2011-03-02
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Imidazo[2,1-b]thiazoles: multitargeted inhibitors of both the insulin-like growth factor receptor and members of the epidermal growth factor family of receptor tyrosine kinases.
Bioorg.Med.Chem.Lett., 20, 2010
6JDQ
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BU of 6jdq by Molmil
Crystal structure of Nme1Cas9 in complex with sgRNA
分子名称: CRISPR-associated endonuclease Cas9, sgRNA
著者Sun, W, Yang, J, Cheng, Z, Liu, C, Wang, K, Huang, X, Wang, Y.
登録日2019-02-02
公開日2019-11-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Structures of Neisseria meningitidis Cas9 Complexes in Catalytically Poised and Anti-CRISPR-Inhibited States.
Mol.Cell, 76, 2019
6KDV
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BU of 6kdv by Molmil
Crystal structure of TtCas1-DNA complex
分子名称: CRISPR-associated endonuclease Cas1 2, DNA (5'-D(*GP*AP*GP*TP*CP*GP*AP*TP*GP*CP*TP*GP*GP*TP*TP*TP*TP*TP*TP*TP*TP*TP*T)-3'), DNA (5'-D(*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*CP*CP*AP*GP*CP*AP*TP*CP*GP*AP*CP*TP*C)-3')
著者Wang, Y.L, Li, J.Z, Yang, J, Wang, J.Y.
登録日2019-07-02
公開日2019-12-18
最終更新日2020-05-06
実験手法X-RAY DIFFRACTION (3.11 Å)
主引用文献Crystal structure of Cas1 in complex with branched DNA.
Sci China Life Sci, 63, 2020
6JDV
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Crystal structure of Nme1Cas9 in complex with sgRNA and target DNA (ATATGATT PAM) in catalytic state
分子名称: 1,2-ETHANEDIOL, CRISPR-associated endonuclease Cas9, MAGNESIUM ION, ...
著者Sun, W, Yang, J, Cheng, Z, Liu, C, Wang, K, Huang, X, Wang, Y.
登録日2019-02-02
公開日2019-11-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structures of Neisseria meningitidis Cas9 Complexes in Catalytically Poised and Anti-CRISPR-Inhibited States.
Mol.Cell, 76, 2019
6JE3
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Crystal structure of Nme2Cas9 in complex with sgRNA and target DNA (AGGCCC PAM) with 5 nt overhang
分子名称: 1,2-ETHANEDIOL, CRISPR-associated endonuclease Cas9, non-target DNA strand, ...
著者Sun, W, Yang, J, Cheng, Z, Liu, C, Wang, K, Huang, X, Wang, Y.
登録日2019-02-03
公開日2019-11-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.931 Å)
主引用文献Structures of Neisseria meningitidis Cas9 Complexes in Catalytically Poised and Anti-CRISPR-Inhibited States.
Mol.Cell, 76, 2019
7E3L
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BU of 7e3l by Molmil
Ultrapotent SARS-CoV-2 neutralizing antibodies with protective efficacy against newly emerged mutational variants
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 58G6 heavy chain, 58G6 light chain, ...
著者Guo, H, Li, T, Liu, F, Gao, Y, Ji, X, Yang, H.
登録日2021-02-09
公開日2021-09-15
最終更新日2022-03-02
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Potent SARS-CoV-2 neutralizing antibodies with protective efficacy against newly emerged mutational variants.
Nat Commun, 12, 2021
7E3K
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Ultrapotent SARS-CoV-2 neutralizing antibodies with protective efficacy against newly emerged mutational variants
分子名称: 13G9 heavy chain, 13G9 light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Guo, H, Li, T, Liu, F, Gao, Y, Ji, X, Yang, H.
登録日2021-02-09
公開日2021-09-15
最終更新日2022-03-02
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Potent SARS-CoV-2 neutralizing antibodies with protective efficacy against newly emerged mutational variants.
Nat Commun, 12, 2021

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