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8JZM
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BU of 8jzm by Molmil
The inhibitor of Toll-like receptor signaling o-vanillin binds covalently to MAL/TIRAP Lys-210
Descriptor: Toll/interleukin-1 receptor domain-containing adapter protein
Authors:Rahaman, M.H, Jia, X, Maxwell, M.J, Mobli, M, Kobe, B.
Deposit date:2023-07-05
Release date:2024-05-01
Method:SOLUTION NMR
Cite:o-Vanillin binds covalently to MAL/TIRAP Lys-210 but independently inhibits TLR2.
J Enzyme Inhib Med Chem, 39, 2024
7GQU
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BU of 7gqu by Molmil
Crystal Structure of Werner helicase fragment 517-945 in covalent complex with N-[(E,1S)-1-cyclopropyl-3-methylsulfonylprop-2-enyl]-2-(1,1-difluoroethyl)-4-phenoxypyrimidine-5-carboxamide
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Bifunctional 3'-5' exonuclease/ATP-dependent helicase WRN, GLYCEROL, ...
Authors:Classen, M, Benz, J, Brugger, D, Tagliente, O, Rudolph, M.G.
Deposit date:2023-10-19
Release date:2024-05-01
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Chemoproteomic discovery of a covalent allosteric inhibitor of WRN helicase
Nature, 2024
7GQS
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BU of 7gqs by Molmil
Crystal Structure of Werner helicase fragment 517-945 in complex with ADP
Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, Bifunctional 3'-5' exonuclease/ATP-dependent helicase WRN, ...
Authors:Classen, M, Benz, J, Brugger, D, Rudolph, M.G.
Deposit date:2023-10-19
Release date:2024-05-01
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Chemoproteomic discovery of a covalent allosteric inhibitor of WRN helicase
Nature, 2024
7GQT
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BU of 7gqt by Molmil
Crystal Structure of Werner helicase fragment 517-945 in complex with ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Bifunctional 3'-5' exonuclease/ATP-dependent helicase WRN, MAGNESIUM ION, ...
Authors:Classen, M, Benz, J, Brugger, D, Rudolph, M.G.
Deposit date:2023-10-19
Release date:2024-05-01
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Chemoproteomic discovery of a covalent allosteric inhibitor of WRN helicase
Nature, 2024
8XI6
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BU of 8xi6 by Molmil
SARS-CoV-2 Omicron BQ.1.1 Variant Spike Protein Complexed with MO11 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Ishimaru, H, Nishimura, M, Shigematsu, H, Marini, M.I, Hasegawa, N, Takamiya, R, Iwata, S, Mori, Y.
Deposit date:2023-12-19
Release date:2024-04-24
Method:ELECTRON MICROSCOPY (2.3 Å)
Cite:Epitopes of an antibody that neutralizes a wide range of SARS-CoV-2 variants in a conserved subdomain 1 of the spike protein.
J.Virol., 2024
8OT7
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BU of 8ot7 by Molmil
Crystal structure of an 8-repeat consensus TPR superhelix with Barium
Descriptor: BARIUM ION, Consensus tetratricopeptide repeat protein
Authors:Liutkus, M, Rojas, A.L, Cortajarena, A.L.
Deposit date:2023-04-20
Release date:2024-04-24
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Diverse crystalline protein scaffolds through metal-dependent polymorphism.
Protein Sci., 33, 2024
8U6Y
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BU of 8u6y by Molmil
Preholo-Proteasome from Beta 3 D205 deletion
Descriptor: Proteasome assembly chaperone 2, Proteasome chaperone 1, Proteasome maturation factor UMP1, ...
Authors:Walsh Jr, R.M, Rawson, S, Velez, B, Blickling, M, Razi, A, Hanna, J.
Deposit date:2023-09-14
Release date:2024-04-17
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Mechanism of autocatalytic activation during proteasome assembly.
Nat.Struct.Mol.Biol., 2024
8W22
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BU of 8w22 by Molmil
Umb1 umbrella toxin particle (local refinement of UmbB1 bound ALF of UmbC1 and UmbA1)
Descriptor: Intein C-terminal splicing domain-containing protein, Secreted esterase, Secreted protein
Authors:Park, Y.J, Zhao, Q, Seattle Structural Genomics Center for Infectious Disease (SSGCID), DiMaio, F, Mougous, J.D, Veesler, D.
Deposit date:2024-02-19
Release date:2024-04-17
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Streptomyces umbrella toxin particles block hyphal growth of competing species.
Nature, 2024
8W20
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BU of 8w20 by Molmil
Umb1 umbrella toxin particle
Descriptor: Intein C-terminal splicing domain-containing protein, Secreted esterase, Secreted protein
Authors:Park, Y.J, Zhao, Q, Seattle Structural Genomics Center for Infectious Disease (SSGCID), DiMaio, F, Mougous, J.D, Veesler, D.
Deposit date:2024-02-19
Release date:2024-04-17
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:Streptomyces umbrella toxin particles block hyphal growth of competing species.
Nature, 2024
8U7U
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BU of 8u7u by Molmil
Proteasome 20S Core Particle from Beta 3 D205 deletion
Descriptor: Proteasome subunit alpha type-1, Proteasome subunit alpha type-2, Proteasome subunit alpha type-3, ...
Authors:Walsh Jr, R.M, Rawson, S, Velez, B, Blickling, M, Razi, A, Hanna, J.
Deposit date:2023-09-15
Release date:2024-04-17
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (2.16 Å)
Cite:Mechanism of autocatalytic activation during proteasome assembly.
Nat.Struct.Mol.Biol., 2024
8OJ2
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BU of 8oj2 by Molmil
Crystal structure of the DNA binding domain of M. polymorpha Auxin Response Factor 2 (MpARF2) in complex with protomor-like sequence IR7
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Auxin response factor, CHLORIDE ION, ...
Authors:Crespo, I, Weijers, D, Boer, D.R.
Deposit date:2023-03-23
Release date:2024-04-17
Method:X-RAY DIFFRACTION (2.56 Å)
Cite:Crystal structure of the DNA binding domain of M. polymorpha Auxin Response Factor 2 (MpARF2) in complex with protomor-like sequence IR7
To Be Published
8TXA
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BU of 8txa by Molmil
Apo Structure of (N1G37) tRNA Methyltransferase from Mycobacterium marinum
Descriptor: tRNA (guanine-N(1)-)-methyltransferase
Authors:Balsamo, A, Bruno, C, Edele, C, Fabian, T, Jannotta, R, Lee, R, Schryver, D, Warsaw, J, Warsaw, L, Stojanoff, V, Battaile, K, Perez, A, Bolen, R.
Deposit date:2023-08-23
Release date:2024-04-10
Method:X-RAY DIFFRACTION (1.591 Å)
Cite:Apo Structure of (N1G37) tRNA Methyltransferase from Mycobacterium marinum
To Be Published
8IY7
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BU of 8iy7 by Molmil
Cryo-EM structure of DIP-2I8I fibril polymorph1
Descriptor: GLY-PHI-GLY-ASN-GLY-ASN-GLY-PHI-GLY
Authors:Li, D.N, Ma, Y.Y, Li, D, Dai, B, Liu, C.
Deposit date:2023-04-04
Release date:2024-04-10
Method:ELECTRON MICROSCOPY (3.71 Å)
Cite:Cryo-EM structure of DIP-2I8I fibril polymorph1
To Be Published
8IZZ
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BU of 8izz by Molmil
Cryo-EM structure of DIP-2I8I polymorph 2
Descriptor: GLY-PHI-GLY-ASN-GLY-ASN-GLY-PHI-GLY
Authors:Li, D.N, Ma, Y.Y, Li, D, Dai, B, Liu, C.
Deposit date:2023-04-09
Release date:2024-04-10
Method:ELECTRON MICROSCOPY (3.75 Å)
Cite:Cryo-EM structure of DIP-2I8I fibril polymorph 2
To Be Published
8JBW
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BU of 8jbw by Molmil
Crystal structure of ZtHPPD-(+)-Usnic acid complex
Descriptor: (9bR)-2,6-diethanoyl-8,9b-dimethyl-3,7,9-tris(oxidanyl)dibenzofuran-1-one, 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION
Authors:Lin, H.-Y, Dong, J, Yang, G.-F.
Deposit date:2023-05-09
Release date:2024-04-03
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Discovery and Development of 4-Hydroxyphenylpyruvate Dioxygenase as a Novel Crop Fungicide Target.
J.Agric.Food Chem., 71, 2023
8OJ1
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BU of 8oj1 by Molmil
Crystal structure of the DNA binding domain of M. polymorpha Auxin Response Factor 2 (MpARF2) in complex with High Affinity DNA
Descriptor: Auxin response factor, CHLORIDE ION, HA7
Authors:Crespo, I, Weijers, D, Boer, D.R.
Deposit date:2023-03-23
Release date:2024-04-03
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:Crystal structure of the DNA binding domain of M. polymorpha Auxin Response Factor 2 (MpARF2) in complex with High Affinity DNA
To Be Published
8OXE
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BU of 8oxe by Molmil
Inositol 1,3,4-trisphosphate 5/6-kinase 1 from Solanum tuberosum (StITPK1) in complex with ADP/Mg2+
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Inositol-tetrakisphosphate 1-kinase, MAGNESIUM ION
Authors:Faba-Rodriguez, R, Li, A.W.H, Brearley, C.A, Hemmings, A.M.
Deposit date:2023-05-02
Release date:2024-03-27
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Crystal Structure and Enzymology of Solanum tuberosum Inositol Tris/Tetrakisphosphate Kinase 1 ( St ITPK1).
Biochemistry, 63, 2024
8P37
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BU of 8p37 by Molmil
Structure a catalytically inactive mutant of the IMP dehydrogenase related protein GUAB3 from Synechocystis PCC 6803
Descriptor: IMP dehydrogenase subunit, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, XANTHOSINE-5'-MONOPHOSPHATE
Authors:Hernandez-Gomez, A, Fernandez-Justel, D, Buey, R.M.
Deposit date:2023-05-17
Release date:2024-03-27
Method:X-RAY DIFFRACTION (1.219 Å)
Cite:GuaB3, an overlooked enzyme in cyanobacteria's toolbox that sheds light on IMP dehydrogenase evolution.
Structure, 31, 2023
8CQQ
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BU of 8cqq by Molmil
Crystal structure of an 8-repeat consensus TPR superhelix with Copper
Descriptor: COPPER (II) ION, Consensus tetratricopeptide repeat protein, SULFATE ION
Authors:Liutkus, M, Rojas, A.L, Cortajarena, A.L.
Deposit date:2023-03-07
Release date:2024-03-27
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Diverse crystalline protein scaffolds through metal-dependent polymorphism.
Protein Sci., 33, 2024
8CQP
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BU of 8cqp by Molmil
Crystal structure of an 8-repeat consensus TPR superhelix with Calcium (low concentration)
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, CALCIUM ION, ...
Authors:Liutkus, M, Rojas, A.L, Cortajarena, A.L.
Deposit date:2023-03-07
Release date:2024-03-27
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Diverse crystalline protein scaffolds through metal-dependent polymorphism.
Protein Sci., 33, 2024
8S9K
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BU of 8s9k by Molmil
Structure of dimeric FAM111A SPD S541A Mutant
Descriptor: GLYCEROL, Serine protease FAM111A
Authors:Palani, S, Alvey, J.A, Cong, A.T.Q, Schellenberg, M.J, Machida, Y.
Deposit date:2023-03-29
Release date:2024-03-20
Method:X-RAY DIFFRACTION (2.72 Å)
Cite:Dimerization-dependent serine protease activity of FAM111A prevents replication fork stalling at topoisomerase 1 cleavage complexes.
Nat Commun, 15, 2024
8S9L
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BU of 8s9l by Molmil
Structure of monomeric FAM111A SPD V347D Mutant
Descriptor: SULFATE ION, Serine protease FAM111A
Authors:Palani, S, Alvey, J.A, Cong, A.T.Q, Schellenberg, M.J, Machida, Y.
Deposit date:2023-03-29
Release date:2024-03-20
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Dimerization-dependent serine protease activity of FAM111A prevents replication fork stalling at topoisomerase 1 cleavage complexes.
Nat Commun, 15, 2024
8PUI
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BU of 8pui by Molmil
human PHOX2B C-terminal domain including the polyA fragment at 298K
Descriptor: Paired mesoderm homeobox protein 2B
Authors:Anton, R, Trevino, M.A, Pantoja-Uceda, D, Felix, S, Babu, M, Cabrita, E.J, Zweckstetter, M, Tinnefeld, P, Vera, A.M, Oroz, J.
Deposit date:2023-07-17
Release date:2024-03-13
Method:SOLUTION NMR
Cite:Alternative low-populated conformations prompt phase transitions in polyalanine repeat expansions.
Nat Commun, 15, 2024
8PTL
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BU of 8ptl by Molmil
human PHOX2B C-terminal domain including the polyA fragment at 278K
Descriptor: Paired mesoderm homeobox protein 2B
Authors:Anton, R, Trevino, M.A, Pantoja-Uceda, D, Felix, S, Babu, M, Cabrita, E.J, Zweckstetter, M, Tinnefeld, P, Vera, A.M, Oroz, J.
Deposit date:2023-07-14
Release date:2024-03-13
Method:SOLUTION NMR
Cite:Alternative low-populated conformations prompt phase transitions in polyalanine repeat expansions.
Nat Commun, 15, 2024
8BQU
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BU of 8bqu by Molmil
Molecular basis of ZP3/ZP1 heteropolymerization: crystal structure of a native vertebrate egg coat filament
Descriptor: Choriogenin H, Zona pellucida sperm-binding protein 3, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Bokhove, M, de Sanctis, D, Yasumasu, S, Jovine, L.
Deposit date:2022-11-21
Release date:2024-03-13
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:ZP2 cleavage blocks polyspermy by modulating the architecture of the egg coat.
Cell, 187, 2024

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