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PDB: 567 results

7JJU
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BU of 7jju by Molmil
Crystal structure of en exoribonuclease-resistant RNA (xrRNA) from Potato leafroll virus (PLRV)
Descriptor: CACODYLATE ION, Guanidinium, IRIDIUM HEXAMMINE ION, ...
Authors:Steckelberg, A.-L, Vicens, Q, Auffinger, P, Costantino, D.C, Nix, J.C, Kieft, J.S.
Deposit date:2020-07-27
Release date:2020-09-09
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.604 Å)
Cite:The crystal structure of a Polerovirus exoribonuclease-resistant RNA shows how diverse sequences are integrated into a conserved fold.
Rna, 26, 2020
4HW4
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BU of 4hw4 by Molmil
Discovery of potent Mcl-1 inhibitors using fragment-based methods and structure-based design
Descriptor: Induced myeloid leukemia cell differentiation protein Mcl-1, Mcl-1 BH3 peptide
Authors:Friberg, A, Zhao, B.
Deposit date:2012-11-07
Release date:2013-01-09
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Discovery of potent myeloid cell leukemia 1 (Mcl-1) inhibitors using fragment-based methods and structure-based design.
J.Med.Chem., 56, 2013
6FOG
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BU of 6fog by Molmil
X-ray structure of homo sapiens Fumarylacetoacetate hydrolase domain containing protein 1 (FAHD1) in complex with inhibitor oxalate at 1.94A resolution.
Descriptor: Acylpyruvase FAHD1, mitochondrial, CHLORIDE ION, ...
Authors:Naschberger, A, Weiss, A.K.H.
Deposit date:2018-02-07
Release date:2018-11-07
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Structural basis for the bi-functionality of human oxaloacetate decarboxylase FAHD1.
Biochem. J., 475, 2018
6FOH
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BU of 6foh by Molmil
X-ray structure of homo sapiens Fumarylacetoacetate hydrolase domain containing protein 1 (FAHD1) at 1.56A resolution.
Descriptor: Acylpyruvase FAHD1, mitochondrial, CHLORIDE ION, ...
Authors:Naschberger, A, Weiss, A.K.H.
Deposit date:2018-02-07
Release date:2018-11-07
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Structural basis for the bi-functionality of human oxaloacetate decarboxylase FAHD1.
Biochem. J., 475, 2018
2GBU
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BU of 2gbu by Molmil
C6A/C111A/C57A/C146A apo CuZn Superoxide dismutase
Descriptor: Superoxide dismutase [Cu-Zn]
Authors:Hornberg, A, Logan, D.T, Marklund, S.L, Oliveberg, M.
Deposit date:2006-03-11
Release date:2007-01-02
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:The Coupling between Disulphide Status, Metallation and Dimer Interface Strength in Cu/Zn Superoxide Dismutase
J.Mol.Biol., 365, 2007
7PGT
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BU of 7pgt by Molmil
The structure of human neurofibromin isoform 2 in opened conformation.
Descriptor: Neurofibromin, ZINC ION
Authors:Naschberger, A, Baradaran, R, Carroni, M, Rupp, B.
Deposit date:2021-08-15
Release date:2021-11-17
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (4.8 Å)
Cite:The structure of neurofibromin isoform 2 reveals different functional states.
Nature, 599, 2021
7PGS
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BU of 7pgs by Molmil
Consensus structure of human Neurofibromin isoform 2
Descriptor: Neurofibromin, ZINC ION
Authors:Naschberger, A, Baradaran, R, Carroni, M, Rupp, B.
Deposit date:2021-08-15
Release date:2021-11-17
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:The structure of neurofibromin isoform 2 reveals different functional states.
Nature, 599, 2021
7PGR
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BU of 7pgr by Molmil
The structure of human neurofibromin isoform 2 in closed conformation
Descriptor: Neurofibromin, ZINC ION
Authors:Naschberger, A, Baradaran, R, Carroni, M, Rupp, B.
Deposit date:2021-08-15
Release date:2021-11-17
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (4 Å)
Cite:The structure of neurofibromin isoform 2 reveals different functional states.
Nature, 599, 2021
7PGU
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BU of 7pgu by Molmil
Autoinhibited structure of human neurofibromin isoform 2 stabilized by Zinc.
Descriptor: (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, Neurofibromin, ZINC ION
Authors:Naschberger, A, Baradaran, R, Carroni, M, Rupp, B.
Deposit date:2021-08-15
Release date:2021-11-17
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:The structure of neurofibromin isoform 2 reveals different functional states.
Nature, 599, 2021
6TAM
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BU of 6tam by Molmil
X-RAY STRUCTURE OF HUMAN K-RAS G12C IN COMPLEX WITH COVALENT ISOQUINOLINONE INHIBITOR (COMPOUND 3)
Descriptor: 7-[2,4-bis(fluoranyl)phenyl]-3-[(3~{R})-1-propanoylpyrrolidin-3-yl]-4~{H}-isoquinolin-1-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Friberg, A, Nguyen, D.
Deposit date:2019-10-30
Release date:2020-04-08
Last modified:2020-06-03
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Computationally Empowered Workflow Identifies Novel Covalent Allosteric Binders for KRASG12C.
Chemmedchem, 15, 2020
8PAU
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BU of 8pau by Molmil
Crystal structure of MAP4K1 with a SMOL inhibitor
Descriptor: Mitogen-activated protein kinase kinase kinase kinase 1, [(5~{R})-2-[[3,5-bis(fluoranyl)-4-[[3-(trifluoromethyl)-1~{H}-pyrrolo[2,3-b]pyridin-4-yl]oxy]phenyl]amino]-5-fluoranyl-4,6-dihydro-1,3-oxazin-5-yl]methanol
Authors:Friberg, A.
Deposit date:2023-06-08
Release date:2024-06-26
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Identification and optimization of Azaindole based MAP4K1 Inhibitors and the discovery of BAY-405
To Be Published
7PX3
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BU of 7px3 by Molmil
Structure of U5 snRNP assembly and recycling factor TSSC4 in complex with BRR2 and Jab1 domain of PRPF8
Descriptor: Pre-mRNA-processing-splicing factor 8, Protein TSSC4, U5 small nuclear ribonucleoprotein 200 kDa helicase
Authors:Bergfort, A, Kuropka, B, Ilik, I.A, Freund, C, Aktas, T, Hilal, T, Weber, G, Wahl, M.C.
Deposit date:2021-10-07
Release date:2022-01-26
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (3.05 Å)
Cite:The intrinsically disordered TSSC4 protein acts as a helicase inhibitor, placeholder and multi-interaction coordinator during snRNP assembly and recycling.
Nucleic Acids Res., 50, 2022
2GBV
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BU of 2gbv by Molmil
C6A/C111A/C57A/C146A holo CuZn Superoxide dismutase
Descriptor: COPPER (I) ION, Superoxide dismutase [Cu-Zn], ZINC ION
Authors:Hornberg, A, Logan, D.T, Marklund, S.L, Oliveberg, M.
Deposit date:2006-03-11
Release date:2007-01-02
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:The Coupling between Disulphide Status, Metallation and Dimer Interface Strength in Cu/Zn Superoxide Dismutase
J.Mol.Biol., 365, 2007
4KCC
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BU of 4kcc by Molmil
Crystal Structure of the NMDA Receptor GluN1 Ligand Binding Domain Apo State
Descriptor: Glutamate receptor ionotropic, NMDA 1, PHOSPHATE ION
Authors:Berger, A.J, Lau, A.Y, Mayer, M.L.
Deposit date:2013-04-24
Release date:2013-07-31
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.894 Å)
Cite:Conformational Analysis of NMDA Receptor GluN1, GluN2, and GluN3 Ligand-Binding Domains Reveals Subtype-Specific Characteristics.
Structure, 21, 2013
2GBT
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BU of 2gbt by Molmil
C6A/C111A CuZn Superoxide dismutase
Descriptor: COPPER (I) ION, Superoxide dismutase [Cu-Zn], ZINC ION
Authors:Hornberg, A, Logan, D.T, Marklund, S.L, Oliveberg, M.
Deposit date:2006-03-11
Release date:2007-01-02
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The Coupling between Disulphide Status, Metallation and Dimer Interface Strength in Cu/Zn Superoxide Dismutase
J.Mol.Biol., 365, 2007
3TM0
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BU of 3tm0 by Molmil
Crystal Structure of 3',5"-Aminoglycoside Phosphotransferase Type IIIa AMPPNP Butirosin A Complex
Descriptor: (2S)-4-amino-N-[(1R,2S,3R,4R,5S)-5-amino-4-[(2,6-diamino-2,6-dideoxy-alpha-D-glucopyranosyl)oxy]-2-hydroxy-3-(beta-D-xylofuranosyloxy)cyclohexyl]-2-hydroxybutanamide, Aminoglycoside 3'-phosphotransferase, MAGNESIUM ION, ...
Authors:Berghuis, A.M, Fong, D.H.
Deposit date:2011-08-30
Release date:2011-10-19
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural basis of APH(3')-IIIa-mediated resistance to N1-substituted aminoglycoside antibiotics.
Antimicrob.Agents Chemother., 53, 2009
7OS1
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BU of 7os1 by Molmil
Cryo-EM structure of Brr2 in complex with Fbp21
Descriptor: U5 small nuclear ribonucleoprotein 200 kDa helicase, WW domain-binding protein 4
Authors:Bergfort, A, Hilal, T, Weber, G, Wahl, M.C.
Deposit date:2021-06-07
Release date:2022-02-23
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:The intrinsically disordered TSSC4 protein acts as a helicase inhibitor, placeholder and multi-interaction coordinator during snRNP assembly and recycling.
Nucleic Acids Res., 50, 2022
7OS2
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BU of 7os2 by Molmil
Cryo-EM structure of Brr2 in complex with Jab1/MPN and C9ORF78
Descriptor: Pre-mRNA-processing-splicing factor 8, Telomere length and silencing protein 1 homolog, U5 small nuclear ribonucleoprotein 200 kDa helicase
Authors:Bergfort, A, Hilal, T, Weber, G, Wahl, M.C.
Deposit date:2021-06-07
Release date:2022-02-23
Last modified:2024-09-25
Method:ELECTRON MICROSCOPY (2.76 Å)
Cite:The intrinsically disordered TSSC4 protein acts as a helicase inhibitor, placeholder and multi-interaction coordinator during snRNP assembly and recycling.
Nucleic Acids Res., 50, 2022
6SBU
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BU of 6sbu by Molmil
X-ray Structure of Human LDHA with an Allosteric Inhibitor (Compound 3)
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 4-[[4-[(5-chloranylthiophen-2-yl)carbonylamino]-1,3-bis(oxidanylidene)isoindol-2-yl]methyl]benzoic acid, L-lactate dehydrogenase A chain
Authors:Friberg, A, Puetter, V, Nguyen, D, Rehwinkel, H.
Deposit date:2019-07-22
Release date:2020-06-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.91 Å)
Cite:Structural Evidence for Isoform-Selective Allosteric Inhibition of Lactate Dehydrogenase A.
Acs Omega, 5, 2020
6SBV
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BU of 6sbv by Molmil
X-ray Structure of Human LDH-A with an Allosteric Inhibitor (Compound 7)
Descriptor: L-lactate dehydrogenase A chain, ~{N}-[3-[(7-nitrodibenzofuran-2-yl)sulfonylamino]phenyl]-1-oxidanyl-cyclopropane-1-carboxamide
Authors:Friberg, A, Puetter, V, Nguyen, D, Rehwinkel, H.
Deposit date:2019-07-22
Release date:2020-06-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural Evidence for Isoform-Selective Allosteric Inhibition of Lactate Dehydrogenase A.
Acs Omega, 5, 2020
7UGG
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BU of 7ugg by Molmil
Cryo-EM structure of TRPV3 in complex with the anesthetic dyclonine
Descriptor: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, Dyclonine, SODIUM ION, ...
Authors:Neuberger, A, Nadezhdin, K.D, Sobolevsky, A.I.
Deposit date:2022-03-24
Release date:2022-06-08
Last modified:2024-02-14
Method:ELECTRON MICROSCOPY (3.16 Å)
Cite:Structural mechanism of TRPV3 channel inhibition by the anesthetic dyclonine.
Nat Commun, 13, 2022
8PAW
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BU of 8paw by Molmil
Crystal structure of MST1 with a MAP4K1 SMOL inhibitor
Descriptor: 1-[3,5-bis(fluoranyl)-4-[[3-(1-propan-2-ylpyrazol-3-yl)-1~{H}-pyrrolo[2,3-b]pyridin-4-yl]oxy]phenyl]-3-(2-methoxyethyl)urea, 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, ASPARTIC ACID, ...
Authors:Friberg, A.
Deposit date:2023-06-08
Release date:2024-06-26
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Identification and optimization of Azaindole based MAP4K1 Inhibitors and the discovery of BAY-405
To Be Published
8PAS
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BU of 8pas by Molmil
Crystal structure of MAP4K1 with a SMOL inhibitor
Descriptor: 4-[2,6-bis(fluoranyl)-4-(3-morpholin-4-ylpropylcarbamoylamino)phenoxy]-~{N}-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1~{H}-pyrrolo[2,3-b]pyridine-3-carboxamide, Mitogen-activated protein kinase kinase kinase kinase 1
Authors:Friberg, A.
Deposit date:2023-06-08
Release date:2024-06-26
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Identification and optimization of Azaindole based MAP4K1 Inhibitors and the discovery of BAY-405
To Be Published
8PAV
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BU of 8pav by Molmil
Crystal structure of MST1 with a MAP4K1 SMOL inhibitor
Descriptor: 1-[3,5-bis(fluoranyl)-4-[[3-(1,3-thiazol-5-yl)-1~{H}-pyrrolo[2,3-b]pyridin-4-yl]oxy]phenyl]-3-(2-methoxyethyl)urea, 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, GLYCEROL, ...
Authors:Friberg, A.
Deposit date:2023-06-08
Release date:2024-06-26
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Identification and optimization of Azaindole based MAP4K1 Inhibitors and the discovery of BAY-405
To Be Published
7PGP
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BU of 7pgp by Molmil
The core structure of human neurofibromin isoform 2
Descriptor: Neurofibromin
Authors:Naschberger, A, Baradaran, R, Carroni, M, Rupp, B.
Deposit date:2021-08-15
Release date:2022-08-24
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:The structure of neurofibromin isoform 2 reveals different functional states.
Nature, 599, 2021

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PDB entries from 2024-11-06

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