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3LZB
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BU of 3lzb by Molmil
EGFR kinase domain complexed with an imidazo[2,1-b]thiazole inhibitor
Descriptor: Epidermal growth factor receptor, N-[3-(5-{2-[(4-morpholin-4-ylphenyl)amino]pyrimidin-4-yl}imidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-phenylacetamide
Authors:Swinger, K.K.
Deposit date:2010-03-01
Release date:2011-03-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Imidazo[2,1-b]thiazoles: multitargeted inhibitors of both the insulin-like growth factor receptor and members of the epidermal growth factor family of receptor tyrosine kinases.
Bioorg.Med.Chem.Lett., 20, 2010
8RN8
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BU of 8rn8 by Molmil
Influenza B polymerase pseudo-symmetrical apo-dimer (FluPol(E)|FluPol(S))
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 (2.92 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
8RN1
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BU of 8rn1 by Molmil
Influenza B polymerase, monomeric encapsidase with 5' cRNA hook bound
Descriptor: 5' cRNA hook (1-12), 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 (3.64 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
8RN2
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BU of 8rn2 by Molmil
Monomeric apo-influenza B polymerase, encapsidase conformation
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 (2.89 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
8RNA
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BU of 8rna by Molmil
Influenza B polymerase apo-trimer
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 (3.57 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
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
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
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
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
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
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
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
6AGX
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BU of 6agx by Molmil
The cocrystal structure of FGFR2 bound with compound 14 harboring 5H-pyrrolo[2,3-b]pyrazine scaffold
Descriptor: Fibroblast growth factor receptor 2, ethyl [4-({3-[2-(3,5-dimethoxyphenyl)ethyl]-5H-pyrrolo[2,3-b]pyrazin-5-yl}sulfonyl)-1H-imidazol-1-yl]acetate
Authors:Xiong, B.
Deposit date:2018-08-15
Release date:2019-08-21
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:The cocrystal structure of FGFR2 bound with compound 14 harboring 5H-pyrrolo[2,3-b]pyrazine scaffold
To be published
5IB3
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BU of 5ib3 by Molmil
Crystal structure of HLA-B*27:05 complexed with the self-peptide pVIPR and Copper
Descriptor: Beta-2-microglobulin, COPPER (II) ION, GLYCEROL, ...
Authors:Janke, R, Ballaschk, M, Schmieder, P, Uchanska-Ziegler, B, Ziegler, A, Loll, B.
Deposit date:2016-02-22
Release date:2017-02-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Metal-triggered conformational reorientation of a self-peptide bound to a disease-associated HLA-B*27 subtype.
J.Biol.Chem., 2019
6PVR
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BU of 6pvr by Molmil
Influenza B M2 Proton Channel in the Closed State - SSNMR Structure at pH 7.5
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:2024-05-01
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
1CT9
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BU of 1ct9 by Molmil
CRYSTAL STRUCTURE OF ASPARAGINE SYNTHETASE B FROM ESCHERICHIA COLI
Descriptor: ADENOSINE MONOPHOSPHATE, ASPARAGINE SYNTHETASE B, CHLORIDE ION, ...
Authors:Larsen, T.M, Boehlein, S.K, Schuster, S.M, Richards, N.G.J, Thoden, J.B, Holden, H.M, Rayment, I.
Deposit date:1999-08-20
Release date:1999-12-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Three-dimensional structure of Escherichia coli asparagine synthetase B: a short journey from substrate to product.
Biochemistry, 38, 1999
8GPZ
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BU of 8gpz by Molmil
Crystal structure of BRD4 bromodomain 1 (BD1) in complex with C239-0012
Descriptor: 3-methyl-6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine, Bromodomain-containing protein 4, FORMIC ACID, ...
Authors:Park, T.H, Lee, B.I.
Deposit date:2022-08-27
Release date:2023-01-18
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.528 Å)
Cite:Crystal structure of [1,2,4]triazolo[4,3-b]pyridazine derivatives as BRD4 bromodomain inhibitors and structure-activity relationship study.
Sci Rep, 13, 2023
8GQ0
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BU of 8gq0 by Molmil
Crystal structure of BRD4 bromodomain 1 (BD1) in complex with STL233497
Descriptor: Bromodomain-containing protein 4, FORMIC ACID, GLYCEROL, ...
Authors:Park, T.H, Lee, B.I.
Deposit date:2022-08-27
Release date:2023-01-18
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:Crystal structure of [1,2,4]triazolo[4,3-b]pyridazine derivatives as BRD4 bromodomain inhibitors and structure-activity relationship study.
Sci Rep, 13, 2023
7OEW
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BU of 7oew by Molmil
Hepatitis B core protein mutant F97L with bound MHRSLLGRMKGA
Descriptor: Capsid protein, MHRSLLGRMKGA
Authors:Makbul, C, Bottcher, B.
Deposit date:2021-05-04
Release date:2022-03-16
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Conformational Plasticity of Hepatitis B Core Protein Spikes Promotes Peptide Binding Independent of the Secretion Phenotype.
Microorganisms, 9, 2021
1CIT
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BU of 1cit by Molmil
DNA-BINDING MECHANISM OF THE MONOMERIC ORPHAN NUCLEAR RECEPTOR NGFI-B
Descriptor: DNA (5'-D(*CP*CP*GP*AP*AP*AP*AP*GP*GP*TP*CP*AP*TP*GP*CP*G)-3'), DNA (5'-D(*CP*GP*CP*AP*TP*GP*AP*CP*CP*TP*TP*TP*TP*CP*GP*G)-3'), PROTEIN (ORPHAN NUCLEAR RECEPTOR NGFI-B), ...
Authors:Meinke, G, Sigler, P.B.
Deposit date:1999-04-05
Release date:1999-05-03
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:DNA-binding mechanism of the monomeric orphan nuclear receptor NGFI-B.
Nat.Struct.Biol., 6, 1999
6YGH
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BU of 6ygh by Molmil
Duck hepatitis B virus capsid
Descriptor: Capsid protein
Authors:Makbul, C, Bottcher, B.
Deposit date:2020-03-27
Release date:2020-09-02
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Slowly folding surface extension in the prototypic avian hepatitis B virus capsid governs stability.
Elife, 9, 2020
6YGI
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BU of 6ygi by Molmil
Duck hepatitis B virus capsid Mutant R124E_delta78-122
Descriptor: Capsid protein,Capsid protein
Authors:Makbul, C, Bottcher, B.
Deposit date:2020-03-27
Release date:2020-09-02
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Slowly folding surface extension in the prototypic avian hepatitis B virus capsid governs stability.
Elife, 9, 2020
6Z9M
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BU of 6z9m by Molmil
Pseudoatomic model of the pre-fusion conformation of glycoprotein B of Herpes simplex virus 1
Descriptor: Envelope glycoprotein B
Authors:Vollmer, B, Prazak, V, Vasishtan, D, Jefferys, E.E, Hernandez-Duran, A, Vallbracht, M, Klupp, B, Mettenleiter, T.C, Backovic, M, Rey, F.A, Topf, M, Gruenewald, K.
Deposit date:2020-06-04
Release date:2020-10-07
Last modified:2020-10-14
Method:ELECTRON MICROSCOPY (9.1 Å)
Cite:The prefusion structure of herpes simplex virus glycoprotein B.
Sci Adv, 6, 2020
8U2D
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BU of 8u2d by Molmil
Bruton's tyrosine kinase in complex with N-[(2R)-1-[(3R)-3-(methylcarbamoyl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-2-yl]-3-(3-methylphenyl)-1-oxopropan-2-yl]-1H-indazole-5-carboxamide
Descriptor: (3R)-2-[N-(1H-indazole-5-carbonyl)-3-methyl-D-phenylalanyl]-N-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxamide, 1,2-ETHANEDIOL, CHLORIDE ION, ...
Authors:Gajewski, S, Clifton, M.C.
Deposit date:2023-09-05
Release date:2024-01-31
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Discovery and Preclinical Pharmacology of NX-2127, an Orally Bioavailable Degrader of Bruton's Tyrosine Kinase with Immunomodulatory Activity for the Treatment of Patients with B Cell Malignancies.
J.Med.Chem., 67, 2024

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PDB entries from 2024-10-16

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