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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
Descriptor: 1-(3-{5-[4-(aminomethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl}phenyl)-3-(2-phenoxyphenyl)urea, insulin receptor, kinase domain
Authors: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.
Deposit date:2008-10-07
Release date:2009-05-26
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.6 Å)
Cite: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
Descriptor: RNA (61-MER)
Authors: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.
Deposit date:2019-12-17
Release date:2020-12-30
Last modified:2024-05-15
Method:SOLUTION NMR, SOLUTION SCATTERING
Cite: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)
Descriptor: MAGNESIUM ION, Polymerase acidic protein, Polymerase basic protein 2, ...
Authors:Arragain, B, Cusack, S.
Deposit date:2024-01-09
Release date:2024-09-11
Method:ELECTRON MICROSCOPY (3.09 Å)
Cite: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)
Descriptor: MAGNESIUM ION, Polymerase acidic protein, Polymerase basic protein 2, ...
Authors:Arragain, B, Cusack, S.
Deposit date:2024-01-09
Release date:2024-09-11
Method:ELECTRON MICROSCOPY (2.78 Å)
Cite: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)
Descriptor: Polymerase acidic protein, Polymerase basic protein 2, RNA-directed RNA polymerase catalytic subunit
Authors:Arragain, B, Cusack, S.
Deposit date:2024-01-09
Release date:2024-09-11
Method:ELECTRON MICROSCOPY (3.31 Å)
Cite: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)
Descriptor: MAGNESIUM ION, Polymerase acidic protein, Polymerase basic protein 2, ...
Authors:Arragain, B, Cusack, S.
Deposit date:2024-01-09
Release date:2024-09-11
Method:ELECTRON MICROSCOPY (2.87 Å)
Cite: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)
Descriptor: Acidic leucine-rich nuclear phosphoprotein 32 family member A, Polymerase acidic protein, Polymerase basic protein 2, ...
Authors:Arragain, B, Cusack, S.
Deposit date:2024-01-09
Release date:2024-09-11
Method:ELECTRON MICROSCOPY (3.31 Å)
Cite: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)
Descriptor: Polymerase acidic protein, Polymerase basic protein 2, RNA-directed RNA polymerase catalytic subunit
Authors:Arragain, B, Cusack, S.
Deposit date:2024-01-09
Release date:2024-09-11
Method:ELECTRON MICROSCOPY (2.82 Å)
Cite: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)
Descriptor: Acidic leucine-rich nuclear phosphoprotein 32 family member A, Polymerase acidic protein, Polymerase basic protein 2, ...
Authors:Arragain, B, Cusack, S.
Deposit date:2024-01-09
Release date:2024-09-11
Method:ELECTRON MICROSCOPY (3.52 Å)
Cite: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)
Descriptor: 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, ...
Authors:Schimpl, M.
Deposit date:2023-10-12
Release date:2024-01-10
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.198 Å)
Cite: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
Descriptor: PROTEIN (METHANE MONOOXYGENASE REGULATORY PROTEIN B)
Authors:Chang, S.L, Wallar, B.J, Lipscomb, J.D, Mayo, K.H.
Deposit date:1999-03-10
Release date:1999-08-11
Last modified:2023-12-27
Method:SOLUTION NMR
Cite: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)
Descriptor: 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
Authors:Wang, Z, Wang, W, Zhao, D, Song, Y, Xu, B, Zhao, J, Wang, J.
Deposit date:2024-07-22
Release date:2024-10-02
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (3.19 Å)
Cite: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
Descriptor: 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
Authors:Wang, Z, Wang, W, Zhao, D, Song, Y, Xu, B, Zhao, J, Wang, J.
Deposit date:2024-02-11
Release date:2024-10-02
Last modified:2024-11-20
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite: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
Descriptor: (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
Authors:Cao, D, Xiong, B.
Deposit date:2022-03-08
Release date:2023-03-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.44 Å)
Cite: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)
Descriptor: MAGNESIUM ION, Polymerase acidic protein, Polymerase basic protein 2, ...
Authors:Arragain, B, Cusack, S.
Deposit date:2024-01-09
Release date:2024-09-11
Method:ELECTRON MICROSCOPY (2.88 Å)
Cite: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
Descriptor: BM2 protein
Authors:Mandala, V.S, Loftis, A.R, Shcherbakov, A.S, Pentelute, B.L, Hong, M.
Deposit date:2019-07-21
Release date:2020-02-05
Last modified:2024-05-15
Method:SOLID-STATE NMR
Cite: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
Descriptor: Alpha-1,3-galactosidase B, alpha-D-galactopyranose
Authors:Schmoeker, O, Moeller, C, Terholsen, H, Girbardt, B, Palm, G.J, Hoppen, J, Lammers, M, Bornscheuer, U.T.
Deposit date:2025-01-24
Release date:2025-03-12
Last modified:2025-04-30
Method:X-RAY DIFFRACTION (2.98 Å)
Cite: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
Descriptor: 3-(4-chlorophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole, DIMETHYL SULFOXIDE, Purine nucleoside phosphorylase
Authors: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.
Deposit date:2017-10-03
Release date:2018-10-10
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.52 Å)
Cite: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
Descriptor: (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, ...
Authors:Mrugala, B, Niedzialkowska, E, Minor, W, Borowski, T.
Deposit date:2019-06-18
Release date:2020-07-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3 Å)
Cite: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
Descriptor: 2-OXOGLUTARIC ACID, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Mrugala, B, Porebski, P.J, Niedzialkowska, E, Minor, W, Borowski, T.
Deposit date:2019-06-18
Release date:2020-07-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.15 Å)
Cite: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
Descriptor: IODIDE ION, Kanamycin B dioxygenase, NICKEL (II) ION, ...
Authors:Mrugala, B, Porebski, P.J, Niedzialkowska, E, Cymborowski, M.T, Minor, W, Borowski, T.
Deposit date:2019-06-18
Release date:2020-07-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.1 Å)
Cite: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
Descriptor: CHLORIDE ION, Kanamycin B dioxygenase, NICKEL (II) ION, ...
Authors:Mrugala, B, Porebski, P.J, Niedzialkowska, E, Cymborowski, M.T, Minor, W, Borowski, T.
Deposit date:2019-06-18
Release date:2020-07-08
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.5 Å)
Cite: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
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Neuraminidase, mAb-400 heavy chain, ...
Authors:Ferguson, J.A, Oeverdieck, S, Ward, A.B.
Deposit date:2023-08-31
Release date:2024-03-27
Last modified:2025-04-09
Method:ELECTRON MICROSCOPY (2.89 Å)
Cite: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
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Neuraminidase, mAb-393 heavy chain, ...
Authors:Ferguson, J.A, Raghavan, S.S.R, Ward, A.B.
Deposit date:2023-09-02
Release date:2024-03-27
Last modified:2025-04-09
Method:ELECTRON MICROSCOPY (3.21 Å)
Cite: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
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Neuraminidase, mAb-2D10 heavy chain, ...
Authors:Ferguson, J.A, Oeverdieck, S, Ward, A.B.
Deposit date:2023-09-01
Release date:2024-03-27
Last modified:2025-04-09
Method:ELECTRON MICROSCOPY (3.36 Å)
Cite:Isolation of human antibodies against influenza B neuraminidase and mechanisms of protection at the airway interface.
Immunity, 57, 2024

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