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7VKG
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BU of 7vkg by Molmil
Crystal structure of AF9 YEATS domain in complex with Compound 10
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Protein AF-9, ...
著者Liu, Y, Ruan, K.
登録日2021-09-29
公開日2022-10-05
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Fragment-Based Discovery of AF9 YEATS Domain Inhibitors.
Int J Mol Sci, 23, 2022
6VAC
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BU of 6vac by Molmil
Mouse retromer (VPS26/VPS35/VPS29) heterotrimer
分子名称: Vacuolar protein sorting-associated protein 26A, Vacuolar protein sorting-associated protein 29, Vacuolar protein sorting-associated protein 35
著者Kendall, A.K, Jackson, L.P.
登録日2019-12-17
公開日2020-02-19
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (5.7 Å)
主引用文献Mammalian Retromer Is an Adaptable Scaffold for Cargo Sorting from Endosomes.
Structure, 28, 2020
4IRL
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BU of 4irl by Molmil
X-ray structure of the CARD domain of zebrafish GBP-NLRP1 like protein
分子名称: 1,2-ETHANEDIOL, ACETATE ION, DI(HYDROXYETHYL)ETHER, ...
著者Jin, T, Huang, M, Smith, P, Xiao, T.
登録日2013-01-15
公開日2013-08-07
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Structure of the caspase-recruitment domain from a zebrafish guanylate-binding protein.
Acta Crystallogr.,Sect.F, 69, 2013
6BMD
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BU of 6bmd by Molmil
RNA hairpin containing GpppG-oligo to mimic intermediate formed by activated monomer and activated downstream helper
分子名称: RNA (5'-D(*(GP3))-R(P*CP*AP*CP*CP*UP*CP*A)-3'), RNA (5'-R(P*GP*AP*GP*GP*UP*GP*(LCC)P*(LCC)P*GP*AP*GP*CP*GP*CP*GP*AP*AP*AP*GP*CP*GP*CP*UP*C)-3')
著者Zhang, W, Szostak, J.W.
登録日2017-11-14
公開日2018-02-21
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural Rationale for the Enhanced Catalysis of Nonenzymatic RNA Primer Extension by a Downstream Oligonucleotide.
J. Am. Chem. Soc., 140, 2018
5YU9
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BU of 5yu9 by Molmil
Crystal structure of EGFR 696-1022 T790M in complex with Ibrutinib
分子名称: 1-{(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}prop-2-en-1-one, CHLORIDE ION, Epidermal growth factor receptor
著者Yan, X.E, Yun, C.H.
登録日2017-11-21
公開日2017-12-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Ibrutinib targets mutant-EGFR kinase with a distinct binding conformation.
Oncotarget, 7, 2016
5ZE3
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BU of 5ze3 by Molmil
Crystal structure of human lysyl oxidase-like 2 (hLOXL2) in a precursor state
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Lysyl oxidase homolog 2, ...
著者Zhang, X, Liu, M.
登録日2018-02-25
公開日2018-04-11
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structure of human lysyl oxidase-like 2 (hLOXL2) in a precursor state.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
7KVZ
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BU of 7kvz by Molmil
Structure of hSTING in complex with novel carbocyclic pyrimidine CDN-2
分子名称: (2R,5R,7R,8R,10S,12aR,14R,15aS,16R)-7-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2,10,16-trihydroxy-14-[(pyrimidin-4-yl)oxy]decahydro-2H,10H-5,8-methano-2lambda~5~,10lambda~5~-cyclopenta[l][1,3,6,9,11,2,10]pentaoxadiphosphacyclotetradecine-2,10-dione, Stimulator of interferon genes protein
著者Skene, R.J.
登録日2020-11-29
公開日2022-02-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Identification of Novel Carbocyclic Pyrimidine Cyclic Dinucleotide STING Agonists for Antitumor Immunotherapy Using Systemic Intravenous Route.
J.Med.Chem., 64, 2021
4M6B
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BU of 4m6b by Molmil
Crystal structure of yeast Swr1-Z domain in complex with H2A.Z-H2B dimer
分子名称: Chimera protein of Histone H2B.1 and Histone H2A.Z, Helicase SWR1
著者Hong, J.J, Feng, H.Q, Wang, F, Ranjan, A, Chen, J.H, Jiang, J.S, Girlando, R, Xiao, T.S, Wu, C, Bai, Y.W.
登録日2013-08-09
公開日2014-02-19
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献The Catalytic Subunit of the SWR1 Remodeler Is a Histone Chaperone for the H2A.Z-H2B Dimer.
Mol.Cell, 53, 2014
6BPP
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BU of 6bpp by Molmil
E. coli MsbA in complex with LPS and inhibitor G092
分子名称: (2E)-3-{6-[(1S)-1-(3-amino-2,6-dichlorophenyl)ethoxy]-4-cyclopropylquinolin-3-yl}prop-2-enoic acid, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 3-HYDROXY-TETRADECANOIC ACID, ...
著者Ho, H, Koth, C.M, Payandeh, J.
登録日2017-11-24
公開日2018-05-02
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.92 Å)
主引用文献Structural basis for dual-mode inhibition of the ABC transporter MsbA.
Nature, 557, 2018
7XC3
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BU of 7xc3 by Molmil
Crystal structure of SARS-CoV-2 NSP3 Macrodomain 3 (SARS-unique domain-M)
分子名称: Papain-like protease nsp3
著者Li, J, Gao, J.
登録日2022-03-22
公開日2022-11-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Two Binding Sites of SARS-CoV-2 Macrodomain 3 Probed by Oxaprozin and Meclomen.
J.Med.Chem., 65, 2022
7XC4
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BU of 7xc4 by Molmil
Crystal structure of SARS-CoV-2 NSP3 Macrodomain 3 (SARS-unique domain-M) in complex with Oxaprozin
分子名称: 3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoic acid, Papain-like protease nsp3
著者Li, J, Liu, Y, Gao, J, Ruan, K.
登録日2022-03-22
公開日2022-11-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Two Binding Sites of SARS-CoV-2 Macrodomain 3 Probed by Oxaprozin and Meclomen.
J.Med.Chem., 65, 2022
7D1L
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BU of 7d1l by Molmil
complex structure of two RRM domains
分子名称: Embryonic developmental protein tofu-6, Uncharacterized protein
著者Wang, X, Liao, S, Xu, C.
登録日2020-09-14
公開日2021-08-25
最終更新日2021-10-06
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Molecular basis for PICS-mediated piRNA biogenesis and cell division.
Nat Commun, 12, 2021
7D2Y
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BU of 7d2y by Molmil
complex of two RRM domains
分子名称: Embryonic developmental protein tofu-6, RRM2, SULFATE ION
著者Wang, X, Liao, S, Xu, C.
登録日2020-09-17
公開日2021-08-25
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.68 Å)
主引用文献Molecular basis for PICS-mediated piRNA biogenesis and cell division.
Nat Commun, 12, 2021
2PWX
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BU of 2pwx by Molmil
Crystal structure of G11A mutant of SARS-CoV 3C-like protease
分子名称: 3C-like proteinase
著者Chen, S, Hu, T, Jiang, H, Shen, X.
登録日2007-05-14
公開日2007-10-30
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Mutation of Gly-11 on the dimer interface results in the complete crystallographic dimer dissociation of severe acute respiratory syndrome coronavirus 3C-like protease: crystal structure with molecular dynamics simulations.
J.Biol.Chem., 283, 2008
3OG7
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BU of 3og7 by Molmil
B-Raf Kinase V600E oncogenic mutant in complex with PLX4032
分子名称: AKAP9-BRAF fusion protein, N-(3-{[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]carbonyl}-2,4-difluorophenyl)propane-1-sulfonamide
著者Zhang, Y, Zhang, K.Y, Zhang, C.
登録日2010-08-16
公開日2010-09-22
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Clinical efficacy of a RAF inhibitor needs broad target blockade in BRAF-mutant melanoma.
Nature, 467, 2010
4KMH
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BU of 4kmh by Molmil
Crystal structure of Suppressor of Fused d20
分子名称: Suppressor of fused homolog
著者Zhang, Y, Qi, X, Zhang, Z, Wu, G.
登録日2013-05-08
公開日2013-11-20
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.04 Å)
主引用文献Structural insight into the mutual recognition and regulation between Suppressor of Fused and Gli/Ci.
Nat Commun, 4, 2013
4JSC
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BU of 4jsc by Molmil
The 2.5A crystal structure of humanized Xenopus MDM2 with RO5316533 - a pyrrolidine MDM2 inhibitor
分子名称: (3S,4R,5S)-3-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-fluorophenyl)-4-cyano-N-[(3S)-3,4-dihydroxybutyl]-5-(2,2-dimethylpropyl)-D-prolinamide, E3 ubiquitin-protein ligase Mdm2
著者Janson, C.A, Lukacs, C, Graves, B.
登録日2013-03-22
公開日2013-07-24
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Discovery of RG7388, a Potent and Selective p53-MDM2 Inhibitor in Clinical Development.
J.Med.Chem., 56, 2013
5X41
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BU of 5x41 by Molmil
3.5A resolution structure of a cobalt energy-coupling factor transporter using LCP method-CbiMQO
分子名称: Cobalt ABC transporter ATP-binding protein, Cobalt transport protein CbiM, Uncharacterized protein CbiQ
著者Bao, Z, Qi, X, Zhao, W, Li, D, Zhang, P.
登録日2017-02-09
公開日2017-04-19
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (3.47 Å)
主引用文献Structure and mechanism of a group-I cobalt energy coupling factor transporter
Cell Res., 27, 2017
4MRO
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BU of 4mro by Molmil
Human GKRP bound to AMG-5980 and S6P
分子名称: 2-(4-{4-[(6-aminopyridin-3-yl)sulfonyl]piperazin-1-yl}phenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol, D-SORBITOL-6-PHOSPHATE, GLYCEROL, ...
著者St Jean, D.J, Ashton, K.S, Bartberger, M.D, Chen, J, Chmait, S, Cupples, R, Galbreath, E, Helmering, J, Jordan, S.R, Liu, L, Kunz, K, Michelsen, K, Nishimura, N, Pennington, L.D, Poon, S.F, Sivits, G, Stec, M.M, Tamayo, N, Van, G, Yang, K, Norman, M.H, Fotsch, C, LLoyd, D.J, Hale, C.
登録日2013-09-17
公開日2014-05-07
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Small molecule disruptors of the glucokinase-glucokinase regulatory protein interaction: 2. Leveraging structure-based drug design to identify analogues with improved pharmacokinetic profiles.
J.Med.Chem., 57, 2014
5ZFW
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BU of 5zfw by Molmil
Crystal structure of human DUX4 homeodomains bound to A11G DNA mutant
分子名称: DNA (5'-D(*CP*CP*AP*CP*TP*AP*AP*CP*CP*TP*GP*AP*TP*CP*AP*CP*AP*CP*C)-3'), DNA (5'-D(*GP*GP*TP*GP*TP*GP*AP*TP*CP*AP*GP*GP*TP*TP*AP*GP*TP*GP*G)-3'), Double homeobox protein 4-like protein 4
著者Li, Y.Y, Wu, B.X, Gan, J.H.
登録日2018-03-07
公開日2018-10-31
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.103 Å)
主引用文献Structural basis for multiple gene regulation by human DUX4.
Biochem. Biophys. Res. Commun., 505, 2018
6KAB
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BU of 6kab by Molmil
Crystal structure of plasmodium lysyl-tRNA synthetase in complex with a cladosporin derivative 2
分子名称: (3~{S})-3-(cyclohexylmethyl)-6,8-bis(oxidanyl)-3,4-dihydroisochromen-1-one, LYSINE, Lysine--tRNA ligase
著者Zhou, J, Fang, P.
登録日2019-06-21
公開日2020-04-08
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.892 Å)
主引用文献Atomic Resolution Analyses of Isocoumarin Derivatives for Inhibition of Lysyl-tRNA Synthetase.
Acs Chem.Biol., 15, 2020
5ZFY
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BU of 5zfy by Molmil
Crystal structure of human DUX4 homeodomains bound to A12C DNA mutant
分子名称: DNA (5'-D(*CP*CP*AP*CP*TP*AP*AP*CP*CP*TP*AP*CP*TP*CP*AP*CP*AP*CP*C)-3'), DNA (5'-D(*GP*GP*TP*GP*TP*GP*AP*GP*TP*AP*GP*GP*TP*TP*AP*GP*TP*GP*G)-3'), Double homeobox protein 4-like protein 4
著者Li, Y.Y, Wu, B.X, Gan, J.H.
登録日2018-03-07
公開日2018-10-31
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural basis for multiple gene regulation by human DUX4.
Biochem. Biophys. Res. Commun., 505, 2018
4JRG
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BU of 4jrg by Molmil
The 1.9A crystal structure of humanized Xenopus MDM2 with RO5313109 - a pyrrolidine MDM2 inhibitor
分子名称: (3R,4R,5S)-3-(3-chlorophenyl)-4-(4-chlorophenyl)-4-cyano-N-[(3S)-3,4-dihydroxybutyl]-5-(2,2-dimethylpropyl)-D-prolinamide, E3 ubiquitin-protein ligase Mdm2
著者Graves, B.J, Janson, C.A, Lukacs, C.
登録日2013-03-21
公開日2013-07-24
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery of RG7388, a Potent and Selective p53-MDM2 Inhibitor in Clinical Development.
J.Med.Chem., 56, 2013
2EW7
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BU of 2ew7 by Molmil
Crystal Structure of Helicobacter Pylori peptide deformylase
分子名称: COBALT (II) ION, peptide deformylase
著者Cai, J.
登録日2005-11-02
公開日2006-10-24
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Peptide deformylase is a potential target for anti-Helicobacter pylori drugs: reverse docking, enzymatic assay, and X-ray crystallography validation
Protein Sci., 15, 2006
7EA8
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BU of 7ea8 by Molmil
Human SETD2 bound to a nucleosome containing oncohistone mutations
分子名称: 601-DNA, Histone H2A type 1-D, Histone H2B type 2-E, ...
著者Jing, H, Liu, Y.
登録日2021-03-06
公開日2021-07-14
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Cryo-EM structure of SETD2/Set2 methyltransferase bound to a nucleosome containing oncohistone mutations.
Cell Discov, 7, 2021

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