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6O1D
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BU of 6o1d by Molmil
Cryo-EM structure of the centromeric nucleosome with native alpha satellite DNA
分子名称: DNA (145-MER), Histone H2A type 1-B/E, Histone H2B type 1-J, ...
著者Zhou, B.-R.
登録日2019-02-19
公開日2019-05-22
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3.395 Å)
主引用文献Atomic resolution cryo-EM structure of a native-like CENP-A nucleosome aided by an antibody fragment.
Nat Commun, 10, 2019
6OKO
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BU of 6oko by Molmil
Crystal structure of mRIPK3 complexed with N-(3-fluoro-4-{1H-pyrrolo[2,3-b]pyridin-4-yloxy}phenyl)-1-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide
分子名称: 1-(4-fluorophenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxo-1,2-dihydropyridine-3-carboxamide, Receptor-interacting serine/threonine-protein kinase 3
著者Pokross, M.E.
登録日2019-04-14
公開日2019-07-17
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Identification of RIPK3 Type II Inhibitors Using High-Throughput Mechanistic Studies in Hit Triage.
Acs Med.Chem.Lett., 11, 2020
8TQP
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BU of 8tqp by Molmil
HIV-CA Disulfide linked Hexamer bound to Quinazolin-4-one Scaffold inhibitor
分子名称: 2-[4-(4-aminobenzene-1-sulfonyl)-2-oxopiperazin-1-yl]-N-{(1R)-2-(3,5-difluorophenyl)-1-[3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]ethyl}acetamide, Gag polyprotein
著者Goldstone, D.C, Barnett, M.J, Taka, J.R.H.
登録日2023-08-08
公開日2023-12-20
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Discovery, Crystallographic Studies, and Mechanistic Investigations of Novel Phenylalanine Derivatives Bearing a Quinazolin-4-one Scaffold as Potent HIV Capsid Modulators.
J.Med.Chem., 66, 2023
8TOV
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BU of 8tov by Molmil
HIV-CA Disulfide linked Hexamer bound to Quinazolin-4-one Scaffold inhibitor
分子名称: 2-[4-(4-aminobenzene-1-sulfonyl)-2-oxopiperazin-1-yl]-N-[(1R)-2-(3,5-difluorophenyl)-1-{3-[4-(morpholine-4-sulfonyl)phenyl]-4-oxo-3,4-dihydroquinazolin-2-yl}ethyl]acetamide, Matrix protein p17
著者Goldstone, D.C, Barnett, M.J, Taka, J.R.H.
登録日2023-08-04
公開日2023-12-20
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Discovery, Crystallographic Studies, and Mechanistic Investigations of Novel Phenylalanine Derivatives Bearing a Quinazolin-4-one Scaffold as Potent HIV Capsid Modulators.
J.Med.Chem., 66, 2023
8TH1
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BU of 8th1 by Molmil
Crystal Structure of the G3BP1 NTF2-like domain bound to the IDR1 of SARS-CoV-2 nucleocapsid protein D3L mutant
分子名称: Nucleoprotein, Ras GTPase-activating protein-binding protein 1
著者Hughes, M.P, Taylor, J.P, Yang, Z.
登録日2023-07-13
公開日2023-12-27
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Interaction between host G3BP and viral nucleocapsid protein regulates SARS-CoV-2 replication and pathogenicity.
Cell Rep, 43, 2024
8I1M
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BU of 8i1m by Molmil
Crystal structure of oxidated APSK1 domain from human PAPSS1 in complex with APS and ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-PHOSPHOSULFATE, PAPSS1 protein, ...
著者Zhang, L, Song, W.Y, Zhang, L.
登録日2023-01-13
公開日2023-06-28
最終更新日2023-07-19
実験手法X-RAY DIFFRACTION (1.699 Å)
主引用文献Redox switching mechanism of the adenosine 5'-phosphosulfate kinase domain (APSK2) of human PAPS synthase 2.
Structure, 31, 2023
8I1N
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BU of 8i1n by Molmil
Crystal structure of APSK2 domain from human PAPSS2 in complex with endogenous APS and ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-PHOSPHOSULFATE, Bifunctional 3'-phosphoadenosine 5'-phosphosulfate synthase 2
著者Zhang, L, Song, W.Y, Zhang, L.
登録日2023-01-13
公開日2023-06-28
最終更新日2023-07-19
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Redox switching mechanism of the adenosine 5'-phosphosulfate kinase domain (APSK2) of human PAPS synthase 2.
Structure, 31, 2023
8I1O
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BU of 8i1o by Molmil
Crystal structure of APSK2 domain from human PAPSS2 in complex with exogenous APS and ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-PHOSPHOSULFATE, Bifunctional 3'-phosphoadenosine 5'-phosphosulfate synthase 2
著者Zhang, L, Song, W.Y, Zhang, L.
登録日2023-01-13
公開日2023-06-28
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Redox switching mechanism of the adenosine 5'-phosphosulfate kinase domain (APSK2) of human PAPS synthase 2.
Structure, 31, 2023
8TH7
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BU of 8th7 by Molmil
Crystal Structure of the G3BP1 NTF2-like domain bound to the Caprin1 peptide
分子名称: Caprin-1, Ras GTPase-activating protein-binding protein 1
著者Hughes, M.P, Taylor, J.P, Yang, Z.
登録日2023-07-14
公開日2024-03-20
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.88 Å)
主引用文献Interaction between host G3BP and viral nucleocapsid protein regulates SARS-CoV-2 replication and pathogenicity.
Cell Rep, 43, 2024
8TH6
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BU of 8th6 by Molmil
Crystal Structure of the G3BP1 NTF2-like domain bound to USP10 peptide
分子名称: 1,2-ETHANEDIOL, Ras GTPase-activating protein-binding protein 1, Ubiquitin carboxyl-terminal hydrolase 10
著者Hughes, M.P, Taylor, J.P, Yang, Z.
登録日2023-07-14
公開日2024-03-20
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献Interaction between host G3BP and viral nucleocapsid protein regulates SARS-CoV-2 replication and pathogenicity.
Cell Rep, 43, 2024
8TH5
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BU of 8th5 by Molmil
Crystal Structure of the G3BP1 NTF2-like domain bound to the IDR1 of SARS-CoV-2 nucleocapsid protein P13L mutant
分子名称: Nucleoprotein, Ras GTPase-activating protein-binding protein 1
著者Hughes, M.P, Taylor, J.P, Yang, Z.
登録日2023-07-13
公開日2024-03-20
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.62 Å)
主引用文献Interaction between host G3BP and viral nucleocapsid protein regulates SARS-CoV-2 replication and pathogenicity.
Cell Rep, 43, 2024
5UNI
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BU of 5uni by Molmil
Critical role of water molecules for proton translocation of the membrane-bound transhydrogenase
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, BENZAMIDINE, DI(HYDROXYETHYL)ETHER, ...
著者Padayatti, P.S, Leung, J.H.
登録日2017-01-30
公開日2017-05-10
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Critical Role of Water Molecules in Proton Translocation by the Membrane-Bound Transhydrogenase.
Structure, 25, 2017
6SB1
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BU of 6sb1 by Molmil
Crystal structure of murine perforin-2 P2 domain crystal form 1
分子名称: CHLORIDE ION, GLYCEROL, Macrophage-expressed gene 1 protein
著者Ni, T, Ginger, L, Gilbert, R.J.C.
登録日2019-07-18
公開日2020-02-05
最終更新日2020-02-26
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structure and mechanism of bactericidal mammalian perforin-2, an ancient agent of innate immunity.
Sci Adv, 6, 2020
6SB3
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BU of 6sb3 by Molmil
CryoEM structure of murine perforin-2 ectodomain in a pre-pore form
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Macrophage-expressed gene 1 protein
著者Ni, T, Yu, X, Gilbert, R.J.C.
登録日2019-07-18
公開日2020-02-05
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Structure and mechanism of bactericidal mammalian perforin-2, an ancient agent of innate immunity.
Sci Adv, 6, 2020
6YJ5
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BU of 6yj5 by Molmil
Focused refinement cryo-EM structure of the yeast mitochondrial complex I sub-stoichiometric sulfur transferase subunit
分子名称: Rhodanese-like domain-containing protein
著者Hirst, J, Grba, D.
登録日2020-04-02
公開日2020-08-12
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Intrinsic curvature of the HIV-1 CA hexamer underlies capsid topology and interaction with cyclophilin A.
Nat.Struct.Mol.Biol., 27, 2020
6SB4
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BU of 6sb4 by Molmil
Crystal structure of murine perforin-2 P2 domain crystal form 2
分子名称: Macrophage-expressed gene 1 protein
著者Ni, T, Yu, X, Ginger, L, Gilbert, R.J.C.
登録日2019-07-18
公開日2020-02-05
最終更新日2020-02-26
実験手法X-RAY DIFFRACTION (3.17 Å)
主引用文献Structure and mechanism of bactericidal mammalian perforin-2, an ancient agent of innate immunity.
Sci Adv, 6, 2020
6PGO
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BU of 6pgo by Molmil
Crystal structure of human KRAS G12C covalently bound to a phthalazine inhibitor
分子名称: 1-{4-[7-chloro-6-(2-fluoro-6-hydroxyphenyl)-4-phenylphthalazin-1-yl]piperazin-1-yl}propan-1-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
著者Mohr, C.
登録日2019-06-24
公開日2019-12-25
最終更新日2020-01-22
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Discovery of a Covalent Inhibitor of KRASG12C(AMG 510) for the Treatment of Solid Tumors.
J.Med.Chem., 63, 2020
6MHR
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BU of 6mhr by Molmil
Structure of the human 4-1BB / Urelumab Fab complex
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, MALONATE ION, ...
著者Kimberlin, C.R, Chin, S.M, Roe-Zurz, Z, Xu, A, Yang, Y.
登録日2018-09-18
公開日2018-11-21
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure of the 4-1BB/4-1BBL complex and distinct binding and functional properties of utomilumab and urelumab.
Nat Commun, 9, 2018
6MI2
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BU of 6mi2 by Molmil
Structure of the human 4-1BB / Utomilumab Fab complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, SULFATE ION, ...
著者Kimberlin, C.R, Chin, S.M, Roe-Zurz, Z, Xu, A, Yang, Y.
登録日2018-09-19
公開日2018-11-21
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.72 Å)
主引用文献Structure of the 4-1BB/4-1BBL complex and distinct binding and functional properties of utomilumab and urelumab.
Nat Commun, 9, 2018
6MGP
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BU of 6mgp by Molmil
Structure of human 4-1BB / 4-1BBL complex
分子名称: ACETATE ION, GLYCEROL, Tumor necrosis factor ligand superfamily member 9, ...
著者Kimberlin, C.R, Chin, S.M, Roe-Zurz, Z, Xu, A, Yang, Y.
登録日2018-09-14
公開日2018-11-14
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献Structure of the 4-1BB/4-1BBL complex and distinct binding and functional properties of utomilumab and urelumab
Nat Commun, 9, 2018
6SB5
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BU of 6sb5 by Molmil
CryoEM structure of murine perforin-2 ectodomain in a pore form
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Macrophage-expressed gene 1 protein
著者Ni, T, Yu, X, Gilbert, R.J.C.
登録日2019-07-18
公開日2020-02-05
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (5 Å)
主引用文献Structure and mechanism of bactericidal mammalian perforin-2, an ancient agent of innate immunity.
Sci Adv, 6, 2020
6MGE
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BU of 6mge by Molmil
Structure of human 4-1BBL
分子名称: GLYCEROL, PHOSPHATE ION, Tumor necrosis factor ligand superfamily member 9
著者Kimberlin, C.R, Chin, S.M, Roe-Zurz, Z, Xu, A, Yang, Y.
登録日2018-09-13
公開日2018-11-21
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Structure of the 4-1BB/4-1BBL complex and distinct binding and functional properties of utomilumab and urelumab.
Nat Commun, 9, 2018
5XK0
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BU of 5xk0 by Molmil
Structure of 8-mer DNA2
分子名称: DNA (5'-D(*GP*CP*CP*CP*GP*AP*GP*C)-3')
著者Liu, H.H, Gan, J.H.
登録日2017-05-04
公開日2017-12-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.451 Å)
主引用文献A DNA Structure Containing AgI -Mediated G:G and C:C Base Pairs
Angew. Chem. Int. Ed. Engl., 56, 2017
5XM8
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Crystal structure of AsfvPolX in complex with DNA enzyme and Pb.
分子名称: DNA (23-mer), DNA (36-MER), LEAD (II) ION, ...
著者Liu, H.H, Gan, J.H.
登録日2017-05-13
公開日2018-01-24
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Crystal structure of an RNA-cleaving DNAzyme.
Nat Commun, 8, 2017
5XK1
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Structure of 8-mer DNA3
分子名称: DNA (5'-D(*GP*GP*AP*GP*CP*CP*CP*C)-3')
著者Liu, H.H, Gan, J.H.
登録日2017-05-04
公開日2017-12-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.501 Å)
主引用文献A DNA Structure Containing AgI -Mediated G:G and C:C Base Pairs.
Angew. Chem. Int. Ed. Engl., 56, 2017

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