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7MDP
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BU of 7mdp by Molmil
KRas G12C in complex with G-2897
分子名称: 1,2-ETHANEDIOL, 2,5,8,11,14,17-HEXAOXANONADECAN-19-OL, 4-(trifluoromethyl)-1,3-benzothiazol-2-amine, ...
著者Oh, A, Frank, Y, Wang, W.
登録日2021-04-05
公開日2022-03-16
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Conformation-locking antibodies for the discovery and characterization of KRAS inhibitors.
Nat.Biotechnol., 40, 2022
8C24
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BU of 8c24 by Molmil
ParDE1 toxin-antitoxin complex from Mycobacterium tuberculosis (rv1960c-rv1959c)
分子名称: Antitoxin ParD1, Toxin ParE1
著者Beck, I.N, Blower, T.R.
登録日2022-12-21
公開日2023-12-20
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Toxin release by conditional remodelling of ParDE1 from Mycobacterium tuberculosis leads to gyrase inhibition.
Nucleic Acids Res., 52, 2024
8C26
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BU of 8c26 by Molmil
ParDE2 toxin-antitoxin complex from Mycobacterium tuberculosis (rv2142A-rv2142c)
分子名称: Antitoxin ParD2, CHLORIDE ION, Toxin ParE2
著者Beck, I.N, Blower, T.R.
登録日2022-12-21
公開日2023-12-20
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Toxin release by conditional remodelling of ParDE1 from Mycobacterium tuberculosis leads to gyrase inhibition.
Nucleic Acids Res., 52, 2024
4IAH
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BU of 4iah by Molmil
Crystal Structure of BAY 60-2770 bound C139A H-NOX domain with S-nitrosylated conserved C122
分子名称: 4-({(4-carboxybutyl)[2-(5-fluoro-2-{[4'-(trifluoromethyl)biphenyl-4-yl]methoxy}phenyl)ethyl]amino}methyl)benzoic acid, Alr2278 protein, MALONATE ION
著者Kumar, V, van den Akker, F.
登録日2012-12-06
公開日2013-11-20
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Insights into BAY 60-2770 Activation and S-Nitrosylation-Dependent Desensitization of Soluble Guanylyl Cyclase via Crystal Structures of Homologous Nostoc H-NOX Domain Complexes.
Biochemistry, 52, 2013
5T5F
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BU of 5t5f by Molmil
Neisseria meningitidis factor H binding protein in complex with monoclonal antibody JAR5
分子名称: Factor H binding protein variant B24, Monoclonal antibody Jar5 heavy chain, Monoclonal antibody Jar5 light chain
著者Malito, E.
登録日2016-08-30
公開日2016-11-09
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.98 Å)
主引用文献Neisseria meningitidis factor H-binding protein bound to monoclonal antibody JAR5: implications for antibody synergy.
Biochem. J., 473, 2016
4JLG
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BU of 4jlg by Molmil
SETD7 in complex with inhibitor (R)-PFI-2 and S-adenosyl-methionine
分子名称: 8-fluoro-N-{(2R)-1-oxo-1-(pyrrolidin-1-yl)-3-[3-(trifluoromethyl)phenyl]propan-2-yl}-1,2,3,4-tetrahydroisoquinoline-6-sulfonamide, Histone-lysine N-methyltransferase SETD7, S-ADENOSYLMETHIONINE, ...
著者Dong, A, Wu, H, Zeng, H, El Bakkouri, M, Barsyte, D, Vedadi, M, Tatlock, J, Owen, D, Bunnage, M, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Structural Genomics Consortium (SGC)
登録日2013-03-12
公開日2013-04-17
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.896 Å)
主引用文献(R)-PFI-2 is a potent and selective inhibitor of SETD7 methyltransferase activity in cells.
Proc.Natl.Acad.Sci.USA, 111, 2014
6UD7
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BU of 6ud7 by Molmil
Crystal structure of full-length human DCAF15-DDB1(deltaBPB)-DDA1-RBM39 in complex with indisulam
分子名称: DDB1- and CUL4-associated factor 15, DET1- and DDB1-associated protein 1, DNA damage-binding protein 1,DNA damage-binding protein 1, ...
著者Bussiere, D.E, Shu, W, Xie, L, Knapp, M.
登録日2019-09-18
公開日2019-12-18
最終更新日2020-01-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural basis of indisulam-mediated RBM39 recruitment to DCAF15 E3 ligase complex.
Nat.Chem.Biol., 16, 2020
4K80
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BU of 4k80 by Molmil
Crystal structure of human ceramide-1-phosphate transfer protein (CPTP) in complex with 2:0 ceramide-1-phosphate (2:0-C1P)
分子名称: (2S,3R,4E)-2-(acetylamino)-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, Glycolipid transfer protein domain-containing protein 1
著者Simanshu, D.K, Brown, R.E, Patel, D.J.
登録日2013-04-17
公開日2013-07-17
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.051 Å)
主引用文献Non-vesicular trafficking by a ceramide-1-phosphate transfer protein regulates eicosanoids.
Nature, 500, 2013
6UE5
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BU of 6ue5 by Molmil
Crystal structure of full-length human DCAF15-DDB1-deltaPBP-DDA1-RBM39 in complex with 4-(aminomethyl)-N-(3-cyano-4-methyl-1H-indol-7-yl)benzenesulfonamide
分子名称: 4-(aminomethyl)-N-(3-cyano-4-methyl-1H-indol-7-yl)benzene-1-sulfonamide, DDB1- and CUL4-associated factor 15, DET1- and DDB1-associated protein 1, ...
著者Knapp, M.S, Shu, W, Xie, L, Bussiere, D.E.
登録日2019-09-20
公開日2019-12-18
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献Structural basis of indisulam-mediated RBM39 recruitment to DCAF15 E3 ligase complex.
Nat.Chem.Biol., 16, 2020
5VHB
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BU of 5vhb by Molmil
Crystal structure of Protein Kinase A in complex with the PKI peptide and Aminobenzothiazole based inhibitor
分子名称: N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-4-(pyridin-4-yl)benzamide, PKI peptide, cAMP-dependent protein kinase catalytic subunit alpha
著者Judge, R.A.
登録日2017-04-12
公開日2018-01-31
最終更新日2018-04-04
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献Design of Aminobenzothiazole Inhibitors of Rho Kinases 1 and 2 by Using Protein Kinase A as a Structure Surrogate.
Chembiochem, 19, 2018
4KBR
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BU of 4kbr by Molmil
Crystal structure of mouse Ceramide-1-phosphate transfer protein (apo-form)
分子名称: Glycolipid transfer protein domain-containing protein 1, PHOSPHATE ION
著者Simanshu, D.K, Brown, R.E, Patel, D.J.
登録日2013-04-23
公開日2013-07-17
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.547 Å)
主引用文献Non-vesicular trafficking by a ceramide-1-phosphate transfer protein regulates eicosanoids.
Nature, 500, 2013
4K84
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BU of 4k84 by Molmil
Crystal structure of human ceramide-1-phosphate transfer protein (CPTP) in complex with 16:0 ceramide-1-phosphate (16:0-C1P)
分子名称: (2S,3R,4E)-2-(hexadecanoylamino)-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, Glycolipid transfer protein domain-containing protein 1
著者Simanshu, D.K, Brown, R.E, Patel, D.J.
登録日2013-04-17
公開日2013-07-17
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.897 Å)
主引用文献Non-vesicular trafficking by a ceramide-1-phosphate transfer protein regulates eicosanoids.
Nature, 500, 2013
5VI9
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BU of 5vi9 by Molmil
Crystal structure of Protein Kinase A in complex with the PKI peptide and Aminobenzothiazole based inhibitors
分子名称: N-[(3-fluorophenyl)methyl]-6-(pyridin-4-yl)-1,3-benzothiazol-2-amine, PKI peptide, cAMP-dependent protein kinase catalytic subunit alpha
著者Judge, R.A.
登録日2017-04-14
公開日2018-01-31
最終更新日2018-04-04
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Design of Aminobenzothiazole Inhibitors of Rho Kinases 1 and 2 by Using Protein Kinase A as a Structure Surrogate.
Chembiochem, 19, 2018
4KBS
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BU of 4kbs by Molmil
Crystal structure of human ceramide-1-phosphate transfer protein (CPTP) in complex with 12:0 phosphatidic acid (12:0 PA)
分子名称: 1,2-DILAUROYL-SN-GLYCERO-3-PHOSPHATE, 1,2-ETHANEDIOL, Glycolipid transfer protein domain-containing protein 1
著者Simanshu, D.K, Brown, R.E, Patel, D.J.
登録日2013-04-23
公開日2013-07-17
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.898 Å)
主引用文献Non-vesicular trafficking by a ceramide-1-phosphate transfer protein regulates eicosanoids.
Nature, 500, 2013
4KIO
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BU of 4kio by Molmil
Kinase domain mutant of human Itk in complex with a covalently-binding inhibitor
分子名称: 1-[(3S)-3-{[4-(morpholin-4-ylmethyl)-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)pyrimidin-2-yl]amino}pyrrolidin-1-yl]prop-2-en-1-one, 1-[(3S)-3-{[4-(morpholin-4-ylmethyl)-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)pyrimidin-2-yl]amino}pyrrolidin-1-yl]propan-1-one, GLYCEROL, ...
著者Somers, D.O.
登録日2013-05-02
公開日2013-08-21
最終更新日2014-02-12
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Discovery of novel irreversible inhibitors of interleukin (IL)-2-inducible tyrosine kinase (Itk) by targeting cysteine 442 in the ATP pocket.
J.Biol.Chem., 288, 2013
4IAE
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BU of 4iae by Molmil
Crystal structure of BAY 60-2770 bound to nostoc H-NOX domain
分子名称: 4-({(4-carboxybutyl)[2-(5-fluoro-2-{[4'-(trifluoromethyl)biphenyl-4-yl]methoxy}phenyl)ethyl]amino}methyl)benzoic acid, Alr2278 protein, MALONATE ION
著者Kumar, V, van den Akker, F, Martin, F.
登録日2012-12-06
公開日2013-11-20
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Insights into BAY 60-2770 Activation and S-Nitrosylation-Dependent Desensitization of Soluble Guanylyl Cyclase via Crystal Structures of Homologous Nostoc H-NOX Domain Complexes.
Biochemistry, 52, 2013
4KF6
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BU of 4kf6 by Molmil
Crystal structure of human ceramide-1-phosphate transfer protein (CPTP) in complex with 8:0 Ceramide-1-Phosphate (8:0-C1P)
分子名称: (2S,3R,4E)-3-hydroxy-2-(octanoylamino)octadec-4-en-1-yl dihydrogen phosphate, Glycolipid transfer protein domain-containing protein 1
著者Simanshu, D.K, Brown, R.E, Patel, D.J.
登録日2013-04-26
公開日2013-07-17
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.195 Å)
主引用文献Non-vesicular trafficking by a ceramide-1-phosphate transfer protein regulates eicosanoids.
Nature, 500, 2013
4K85
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BU of 4k85 by Molmil
Crystal structure of human ceramide-1-phosphate transfer protein (CPTP) in complex with 12:0 Ceramide-1-Phosphate (12:0-C1P)
分子名称: (2S,3R,4E)-2-(dodecanoylamino)-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, Glycolipid transfer protein domain-containing protein 1
著者Simanshu, D.K, Brown, R.E, Patel, D.J.
登録日2013-04-17
公開日2013-07-17
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.901 Å)
主引用文献Non-vesicular trafficking by a ceramide-1-phosphate transfer protein regulates eicosanoids.
Nature, 500, 2013
4K8N
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BU of 4k8n by Molmil
Crystal structure of human ceramide-1-phosphate transfer protein (CPTP) in complex with 18:1 Ceramide-1-Phosphate (18:1-C1P)
分子名称: (2S,3R,4Z)-3-hydroxy-2-[(9E)-octadec-9-enoylamino]octadec-4-en-1-yl dihydrogen phosphate, Glycolipid transfer protein domain-containing protein 1
著者Simanshu, D.K, Brown, R.E, Patel, D.J.
登録日2013-04-18
公開日2013-07-17
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (3.102 Å)
主引用文献Non-vesicular trafficking by a ceramide-1-phosphate transfer protein regulates eicosanoids.
Nature, 500, 2013
4IAM
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BU of 4iam by Molmil
Crystal Structure of the C139A mutant of nostoc H-NOX domain
分子名称: Alr2278 protein, MALONATE ION, PROTOPORPHYRIN IX CONTAINING FE
著者Kumar, V, van den Akker, F.
登録日2012-12-06
公開日2013-11-20
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Insights into BAY 60-2770 Activation and S-Nitrosylation-Dependent Desensitization of Soluble Guanylyl Cyclase via Crystal Structures of Homologous Nostoc H-NOX Domain Complexes.
Biochemistry, 52, 2013
4RMA
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BU of 4rma by Molmil
Crystal structure of the FERM domain of human ezrin
分子名称: Ezrin, SULFATE ION
著者Phang, J.M, Harrop, S.J, Duff, A.P, Wilk, K.E, Curmi, P.M.G.
登録日2014-10-21
公開日2015-12-09
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural characterization suggests models for monomeric and dimeric forms of full-length ezrin.
Biochem. J., 473, 2016
4RM8
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BU of 4rm8 by Molmil
Crystal structure of human ezrin in space group P21
分子名称: Ezrin
著者Phang, J.M, Harrop, S.J, Davies, R, Duff, A.P, Wilk, K.E, Curmi, P.M.G.
登録日2014-10-20
公開日2015-12-09
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural characterization suggests models for monomeric and dimeric forms of full-length ezrin.
Biochem. J., 473, 2016
4RM9
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BU of 4rm9 by Molmil
Crystal structure of human ezrin in space group C2221
分子名称: Ezrin
著者Phang, J.M, Harrop, S.J, Davies, R, Duff, A.P, Wilk, K.E, Curmi, P.M.G.
登録日2014-10-21
公開日2015-12-09
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural characterization suggests models for monomeric and dimeric forms of full-length ezrin.
Biochem. J., 473, 2016
6X67
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BU of 6x67 by Molmil
Cryo-EM structure of piggyBac transposase strand transfer complex (STC)
分子名称: CALCIUM ION, DNA (37-MER), DNA (47-MER), ...
著者Chen, Q, Hickman, A.B, Dyda, F.
登録日2020-05-27
公開日2020-07-22
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.47 Å)
主引用文献Structural basis of seamless excision and specific targeting by piggyBac transposase
Nat Commun, 11, 2020
7NEG
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BU of 7neg by Molmil
Crystal structure of the N501Y mutant receptor binding domain of SARS-CoV-2 Spike glycoprotein in complex with COVOX-269 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody COVOX-269 Fab heavy chain, Antibody COVOX-269 Fab light chain, ...
著者Zhou, D, Ren, J, Stuart, D.
登録日2021-02-04
公開日2021-03-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Reduced neutralization of SARS-CoV-2 B.1.1.7 variant by convalescent and vaccine sera.
Cell, 184, 2021

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件を2024-07-17に公開中

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