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3ETA
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BU of 3eta by Molmil
Kinase domain of insulin receptor complexed with a pyrrolo pyridine inhibitor
分子名称: 1-(3-{5-[4-(aminomethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl}phenyl)-3-(2-phenoxyphenyl)urea, insulin receptor, kinase domain
著者Patnaik, S, Stevens, K, Gerding, R, Deanda, F, Shotwell, B, Tang, J, Hamajima, T, Nakamura, H, Leesnitzer, A, Hassell, A, Shewchuk, L, Kumar, R, Lei, H, Chamberlain, S.
登録日2008-10-07
公開日2009-05-26
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Discovery of 3,5-disubstituted-1H-pyrrolo[2,3-b]pyridines as potent inhibitors of the insulin-like growth factor-1 receptor (IGF-1R) tyrosine kinase.
Bioorg.Med.Chem.Lett., 19, 2009
6VAR
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BU of 6var by Molmil
61 nt human Hepatitis B virus epsilon pre-genomic RNA
分子名称: RNA (61-MER)
著者LeBlanc, R.M, Kasprzak, W.K, Longhini, A.P, Abulwerdi, F, Ginocchio, S, Shields, B, Nyman, J, Svirydava, M, Del Vecchio, C, Ivanic, J, Schneekloth, J.S, Dayie, T.K, Shapiro, B.A, Le Grice, S.F.J.
登録日2019-12-17
公開日2020-12-30
最終更新日2024-05-15
実験手法SOLUTION NMR, SOLUTION SCATTERING
主引用文献Structural insights of the conserved "priming loop" of hepatitis B virus pre-genomic RNA.
J.Biomol.Struct.Dyn., 2021
8RN7
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BU of 8rn7 by Molmil
Pseudo-symmetrical influenza B polymerase apo-dimer, core-only moeity (from "Influenza B polymerase pseudo-symmetrical dimer" | Local refinement)
分子名称: MAGNESIUM ION, Polymerase acidic protein, Polymerase basic protein 2, ...
著者Arragain, B, Cusack, S.
登録日2024-01-09
公開日2024-09-11
実験手法ELECTRON MICROSCOPY (3.09 Å)
主引用文献Structures of influenza A and B replication complexes give insight into avian to human host adaptation and reveal a role of ANP32 as an electrostatic chaperone for the apo-polymerase.
Nat Commun, 15, 2024
8RN3
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BU of 8rn3 by Molmil
Pseudo-symmetrical influenza B polymerase apo-dimer, encapsidase moiety (from "Influenza B polymerase pseudo-symmetrical dimer" | Local refinement)
分子名称: MAGNESIUM ION, Polymerase acidic protein, Polymerase basic protein 2, ...
著者Arragain, B, Cusack, S.
登録日2024-01-09
公開日2024-09-11
実験手法ELECTRON MICROSCOPY (2.78 Å)
主引用文献Structures of influenza A and B replication complexes give insight into avian to human host adaptation and reveal a role of ANP32 as an electrostatic chaperone for the apo-polymerase.
Nat Commun, 15, 2024
8RN9
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BU of 8rn9 by Molmil
Influenza B polymerase, replicase (from "Influenza B polymerase apo-trimer" | Local refinement)
分子名称: Polymerase acidic protein, Polymerase basic protein 2, RNA-directed RNA polymerase catalytic subunit
著者Arragain, B, Cusack, S.
登録日2024-01-09
公開日2024-09-11
実験手法ELECTRON MICROSCOPY (3.31 Å)
主引用文献Structures of influenza A and B replication complexes give insight into avian to human host adaptation and reveal a role of ANP32 as an electrostatic chaperone for the apo-polymerase.
Nat Commun, 15, 2024
8RN4
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BU of 8rn4 by Molmil
Pseudo-symmetrical influenza B polymerase apo-dimer, ENDO(T) moiety (from "Influenza B polymerase pseudo-symmetrical dimer" | Local refinement)
分子名称: MAGNESIUM ION, Polymerase acidic protein, Polymerase basic protein 2, ...
著者Arragain, B, Cusack, S.
登録日2024-01-09
公開日2024-09-11
実験手法ELECTRON MICROSCOPY (2.87 Å)
主引用文献Structures of influenza A and B replication complexes give insight into avian to human host adaptation and reveal a role of ANP32 as an electrostatic chaperone for the apo-polymerase.
Nat Commun, 15, 2024
8RNB
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BU of 8rnb by Molmil
Influenza B polymerase, encapsidase plus 627(R) / human ANP32A (from "Influenza B polymerase apo-trimer" | Local refinement)
分子名称: Acidic leucine-rich nuclear phosphoprotein 32 family member A, Polymerase acidic protein, Polymerase basic protein 2, ...
著者Arragain, B, Cusack, S.
登録日2024-01-09
公開日2024-09-11
実験手法ELECTRON MICROSCOPY (3.31 Å)
主引用文献Structures of influenza A and B replication complexes give insight into avian to human host adaptation and reveal a role of ANP32 as an electrostatic chaperone for the apo-polymerase.
Nat Commun, 15, 2024
8RN6
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BU of 8rn6 by Molmil
Pseudo-symmetrical influenza B polymerase apo-dimer, ENDO(E) moiety (from "Influenza B polymerase pseudo-symmetrical dimer" | Local refinement)
分子名称: Polymerase acidic protein, Polymerase basic protein 2, RNA-directed RNA polymerase catalytic subunit
著者Arragain, B, Cusack, S.
登録日2024-01-09
公開日2024-09-11
実験手法ELECTRON MICROSCOPY (2.82 Å)
主引用文献Structures of influenza A and B replication complexes give insight into avian to human host adaptation and reveal a role of ANP32 as an electrostatic chaperone for the apo-polymerase.
Nat Commun, 15, 2024
8RNC
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BU of 8rnc by Molmil
Influenza B polymerase, replication complex, an asymmetric polymerase dimer bound to human ANP32A (from "Influenza B polymerase apo-trimer" | Local refinement)
分子名称: Acidic leucine-rich nuclear phosphoprotein 32 family member A, Polymerase acidic protein, Polymerase basic protein 2, ...
著者Arragain, B, Cusack, S.
登録日2024-01-09
公開日2024-09-11
実験手法ELECTRON MICROSCOPY (3.52 Å)
主引用文献Structures of influenza A and B replication complexes give insight into avian to human host adaptation and reveal a role of ANP32 as an electrostatic chaperone for the apo-polymerase.
Nat Commun, 15, 2024
8QTH
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BU of 8qth by Molmil
Crystal structure of CBL-b in complex with an allosteric inhibitor (compound 8)
分子名称: 1-methyl-5-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-3-(trifluoromethyl)-7H-pyrrolo[2,3-b]pyridin-6-one, E3 ubiquitin-protein ligase CBL-B, SODIUM ION, ...
著者Schimpl, M.
登録日2023-10-12
公開日2024-01-10
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.198 Å)
主引用文献Discovery, Optimization, and Biological Evaluation of Arylpyridones as Cbl-b Inhibitors.
J.Med.Chem., 67, 2024
2MOB
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BU of 2mob by Molmil
METHANE MONOOXYGENASE COMPONENT B
分子名称: PROTEIN (METHANE MONOOXYGENASE REGULATORY PROTEIN B)
著者Chang, S.L, Wallar, B.J, Lipscomb, J.D, Mayo, K.H.
登録日1999-03-10
公開日1999-08-11
最終更新日2023-12-27
実験手法SOLUTION NMR
主引用文献Solution structure of component B from methane monooxygenase derived through heteronuclear NMR and molecular modeling.
Biochemistry, 38, 1999
9IUZ
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BU of 9iuz by Molmil
Constitutively active mutant(Y276H) of Arabidopsis phytochrome B(phyB) in complex with phytochrome-interacting factor 6(PIF6)
分子名称: 3-[5-[[(3~{R},4~{R})-3-ethyl-4-methyl-5-oxidanylidene-3,4-dihydropyrrol-2-yl]methyl]-2-[[5-[(4-ethyl-3-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1~{H}-pyrrol-2-yl]methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid, Phytochrome B, Phytochrome-interacting factor 6
著者Wang, Z, Wang, W, Zhao, D, Song, Y, Xu, B, Zhao, J, Wang, J.
登録日2024-07-22
公開日2024-10-02
最終更新日2024-11-13
実験手法ELECTRON MICROSCOPY (3.19 Å)
主引用文献Light-induced remodeling of phytochrome B enables signal transduction by phytochrome-interacting factor.
Cell, 187, 2024
8YB4
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BU of 8yb4 by Molmil
Pfr conformer of Arabidopsis thaliana phytochrome B in complex with phytochrome-interacting factor 6
分子名称: 3-[5-[[(3~{R},4~{R})-3-ethyl-4-methyl-5-oxidanylidene-3,4-dihydropyrrol-2-yl]methyl]-2-[[5-[(4-ethyl-3-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1~{H}-pyrrol-2-yl]methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid, phytochrome B, phytochrome-interacting factor 6
著者Wang, Z, Wang, W, Zhao, D, Song, Y, Xu, B, Zhao, J, Wang, J.
登録日2024-02-11
公開日2024-10-02
最終更新日2024-11-20
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Light-induced remodeling of phytochrome B enables signal transduction by phytochrome-interacting factor.
Cell, 187, 2024
7X6T
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BU of 7x6t by Molmil
Discovery of Selective BRD4 BD1 Inhibitor Based on [1,2,4] triazolo [4,3-b] pyridazine Scaffold
分子名称: (2~{R})-2-[[3-methyl-6-(2-phenoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]amino]propanamide, Isoform C of Bromodomain-containing protein 4
著者Cao, D, Xiong, B.
登録日2022-03-08
公開日2023-03-22
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献Discovery of Selective BRD4 BD1 Inhibitor Based on [1,2,4] triazolo [4,3-b] pyridazine Scaffold
To Be Published
8RN5
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BU of 8rn5 by Molmil
Pseudo-symmetrical influenza B polymerase apo-dimer, ENDO(R) moiety (from "Influenza B polymerase pseudo-symmetrical dimer" | Local refinement)
分子名称: MAGNESIUM ION, Polymerase acidic protein, Polymerase basic protein 2, ...
著者Arragain, B, Cusack, S.
登録日2024-01-09
公開日2024-09-11
実験手法ELECTRON MICROSCOPY (2.88 Å)
主引用文献Structures of influenza A and B replication complexes give insight into avian to human host adaptation and reveal a role of ANP32 as an electrostatic chaperone for the apo-polymerase.
Nat Commun, 15, 2024
6PVT
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BU of 6pvt by Molmil
Influenza B M2 Proton Channel in the Open State - SSNMR Structure at pH 4.5
分子名称: BM2 protein
著者Mandala, V.S, Loftis, A.R, Shcherbakov, A.S, Pentelute, B.L, Hong, M.
登録日2019-07-21
公開日2020-02-05
最終更新日2024-05-15
実験手法SOLID-STATE NMR
主引用文献Atomic structures of closed and open influenza B M2 proton channel reveal the conduction mechanism.
Nat.Struct.Mol.Biol., 27, 2020
9I4G
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BU of 9i4g by Molmil
Blood Type B-converting alpha-1,3-galactosidase PpaGal from Pedobacter panaciterrae in complex with D-galactose
分子名称: Alpha-1,3-galactosidase B, alpha-D-galactopyranose
著者Schmoeker, O, Moeller, C, Terholsen, H, Girbardt, B, Palm, G.J, Hoppen, J, Lammers, M, Bornscheuer, U.T.
登録日2025-01-24
公開日2025-03-12
最終更新日2025-04-30
実験手法X-RAY DIFFRACTION (2.98 Å)
主引用文献Identification and Protein Engineering of Galactosidases for the Conversion of Blood Type B to Blood Type O.
Chembiochem, 26, 2025
6B71
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BU of 6b71 by Molmil
Crystal Structure of Purine Nucleoside Phosphorylase Isoform 2 from Schistosoma mansoni in complex with3-(4-chlorophenyl)-5H,6H-imidazo[2,1-b][1,3]thiazole
分子名称: 3-(4-chlorophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole, DIMETHYL SULFOXIDE, Purine nucleoside phosphorylase
著者Faheem, M, Neto, J.B, Collins, P, Pearce, N.M, Valadares, N.F, Bird, L, Pereira, H.M, Delft, F.V, Barbosa, J.A.R.G.
登録日2017-10-03
公開日2018-10-10
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Crystal Structure of Purine Nucleoside Phosphorylase Isoform 2 from Schistosoma mansoni in complex with 3-(4-chlorophenyl)-5H,6H-imidazo[2,1-b][1,3]thiazole
To Be Published
6S0V
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BU of 6s0v by Molmil
The crystal structure of kanamycin B dioxygenase (KanJ) from Streptomyces kanamyceticus in complex with nickel, neamine and sulfate
分子名称: (1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl 2,6-diamino-2,6-dideoxy-alpha-D-glucopyranoside, Kanamycin B dioxygenase, NICKEL (II) ION, ...
著者Mrugala, B, Niedzialkowska, E, Minor, W, Borowski, T.
登録日2019-06-18
公開日2020-07-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献A study on the structure, mechanism, and biochemistry of kanamycin B dioxygenase (KanJ)-an enzyme with a broad range of substrates.
Febs J., 288, 2021
6S0U
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BU of 6s0u by Molmil
The crystal structure of kanamycin B dioxygenase (KanJ) from Streptomyces kanamyceticus in complex with nickel and 2-oxoglutarate
分子名称: 2-OXOGLUTARIC ACID, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Mrugala, B, Porebski, P.J, Niedzialkowska, E, Minor, W, Borowski, T.
登録日2019-06-18
公開日2020-07-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献A study on the structure, mechanism, and biochemistry of kanamycin B dioxygenase (KanJ)-an enzyme with a broad range of substrates.
Febs J., 288, 2021
6S0T
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BU of 6s0t by Molmil
The crystal structure of kanamycin B dioxygenase (KanJ) from Streptomyces kanamyceticus in complex with nickel, sulfate, soaked with iodide
分子名称: IODIDE ION, Kanamycin B dioxygenase, NICKEL (II) ION, ...
著者Mrugala, B, Porebski, P.J, Niedzialkowska, E, Cymborowski, M.T, Minor, W, Borowski, T.
登録日2019-06-18
公開日2020-07-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献A study on the structure, mechanism, and biochemistry of kanamycin B dioxygenase (KanJ)-an enzyme with a broad range of substrates.
Febs J., 288, 2021
6S0R
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BU of 6s0r by Molmil
The crystal structure of kanamycin B dioxygenase (KanJ) from Streptomyces kanamyceticus complex with nickel, sulfate and chloride
分子名称: CHLORIDE ION, Kanamycin B dioxygenase, NICKEL (II) ION, ...
著者Mrugala, B, Porebski, P.J, Niedzialkowska, E, Cymborowski, M.T, Minor, W, Borowski, T.
登録日2019-06-18
公開日2020-07-08
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献A study on the structure, mechanism, and biochemistry of kanamycin B dioxygenase (KanJ)-an enzyme with a broad range of substrates.
Febs J., 288, 2021
8U1C
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BU of 8u1c by Molmil
A mechanistic understanding of protective influenza B neuraminidase mAbs at the airway interface
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Neuraminidase, mAb-400 heavy chain, ...
著者Ferguson, J.A, Oeverdieck, S, Ward, A.B.
登録日2023-08-31
公開日2024-03-27
最終更新日2025-04-09
実験手法ELECTRON MICROSCOPY (2.89 Å)
主引用文献Isolation of human antibodies against influenza B neuraminidase and mechanisms of protection at the airway interface.
Immunity, 57, 2024
8U1S
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BU of 8u1s by Molmil
A mechanistic understanding of protective influenza B neuraminidase mAbs at the airway interface
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Neuraminidase, mAb-393 heavy chain, ...
著者Ferguson, J.A, Raghavan, S.S.R, Ward, A.B.
登録日2023-09-02
公開日2024-03-27
最終更新日2025-04-09
実験手法ELECTRON MICROSCOPY (3.21 Å)
主引用文献Isolation of human antibodies against influenza B neuraminidase and mechanisms of protection at the airway interface.
Immunity, 57, 2024
8U1Q
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BU of 8u1q by Molmil
A mechanistic understanding of protective influenza B neuraminidase mAbs at the airway interface
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Neuraminidase, mAb-2D10 heavy chain, ...
著者Ferguson, J.A, Oeverdieck, S, Ward, A.B.
登録日2023-09-01
公開日2024-03-27
最終更新日2025-04-09
実験手法ELECTRON MICROSCOPY (3.36 Å)
主引用文献Isolation of human antibodies against influenza B neuraminidase and mechanisms of protection at the airway interface.
Immunity, 57, 2024

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件を2025-07-09に公開中

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