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8IZC
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BU of 8izc by Molmil
Human CK1 Delta Kinase structure bound to Inhibitor
Descriptor: Casein kinase I isoform delta, SULFATE ION, ~{N}5-~{tert}-butyl-2-(3-chloranyl-4-fluoranyl-phenyl)-6,7-dihydro-4~{H}-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
Authors:Ghosh, K.
Deposit date:2023-04-06
Release date:2024-04-10
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:The Discovery of BMS-986164, a Potent, Selective and Orally Efficacious CK1d/e/a Inhibitor from Pyrazolo-Piperazine Chemotype
To Be Published
8IYU
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BU of 8iyu by Molmil
CfbA S11T variant with Ni(II) ions
Descriptor: NICKEL (II) ION, Sirohydrochlorin cobaltochelatase
Authors:Ogawa, S, Fujishiro, T.
Deposit date:2023-04-06
Release date:2024-04-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Substrate selectivity of CfbA
To be published
8IYT
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BU of 8iyt by Molmil
Crystal Structure of Serine Palmitoyltransferase complexed with D-methylserine
Descriptor: (2~{R})-2-methyl-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]-3-oxidanyl-propanoic acid, 1,2-ETHANEDIOL, Serine palmitoyltransferase
Authors:Takahashi, A, Murakami, T, Katayama, A, Miyahara, I, Kamiya, N, Ikushiro, H, Yano, T.
Deposit date:2023-04-06
Release date:2024-04-10
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of Serine Palmitoyltransferase from Sphingobacterium multivorum
To Be Published
8IYS
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BU of 8iys by Molmil
TUG891-bound FFAR4 in complex with Gq
Descriptor: 3-{4-[(4-fluoro-4'-methyl[1,1'-biphenyl]-2-yl)methoxy]phenyl}propanoic acid, Free fatty acid receptor 4, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:He, Y, Yin, H.
Deposit date:2023-04-06
Release date:2023-06-21
Last modified:2023-08-16
Method:ELECTRON MICROSCOPY (2.95 Å)
Cite:Structural basis of omega-3 fatty acid receptor FFAR4 activation and G protein coupling selectivity.
Cell Res., 33, 2023
8IYR
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BU of 8iyr by Molmil
The cryo-EM structure of cellobiose phosphorylase from Clostridium thermocellum in complex with phosphate
Descriptor: Cellobiose phosphorylase, PHOSPHATE ION
Authors:Iriya, S, Kuga, T, Sunagawa, N, Igarashi, K.
Deposit date:2023-04-05
Release date:2024-04-10
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:The cryo-EM structure of cellobiose phosphorylase from Clostridium thermocellum in complex with phosphate
To Be Published
8IYM
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Crystal structure of a protein acetyltransferase, HP0935
Descriptor: 1,2-ETHANEDIOL, N-acetyltransferase domain-containing protein, POTASSIUM ION, ...
Authors:Dadireddy, V, Mahanta, P, Kumar, A, Desirazu, R.N, Ramakumar, S.
Deposit date:2023-04-05
Release date:2024-04-10
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of a protein acetyltransferase, HP0935
To be published
8IYJ
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BU of 8iyj by Molmil
Cryo-EM structure of the 48-nm repeat doublet microtubule from mouse sperm
Descriptor: Cilia and flagella-associated protein 77, Cilia- and flagella-associated protein 107, Cilia- and flagella-associated protein 141, ...
Authors:Zhou, L.N, Gui, M, Wu, J.P.
Deposit date:2023-04-05
Release date:2023-07-05
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structures of sperm flagellar doublet microtubules expand the genetic spectrum of male infertility.
Cell, 186, 2023
8IYI
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BU of 8iyi by Molmil
Spermidine synthase from Kluyveromyces lactis
Descriptor: KLLA0B09372p
Authors:Kim, S, Chang, J.H.
Deposit date:2023-04-05
Release date:2023-06-28
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural Analysis of Spermidine Synthase from Kluyveromyces lactis.
Molecules, 28, 2023
8IYH
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BU of 8iyh by Molmil
Structure of MK6892-GPR109A-G-protein complex
Descriptor: 2-[[2,2-dimethyl-3-[3-(5-oxidanylpyridin-2-yl)-1,2,4-oxadiazol-5-yl]propanoyl]amino]cyclohexene-1-carboxylic acid, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Yadav, M.K, Sarma, P, Chami, M, Banerjee, R, Shukla, A.K.
Deposit date:2023-04-04
Release date:2024-03-06
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structure-guided engineering of biased-agonism in the human niacin receptor via single amino acid substitution.
Nat Commun, 15, 2024
8IYC
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BU of 8iyc by Molmil
Structure insight into substrate recognition and catalysis by feruloyl esterase from Aspergillus sydowii
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ...
Authors:Phienluphon, A, Kondo, K, Mikami, B, Nagata, T, Katahira, M.
Deposit date:2023-04-04
Release date:2023-10-25
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structural insights into the molecular mechanisms of substrate recognition and hydrolysis by feruloyl esterase from Aspergillus sydowii.
Int.J.Biol.Macromol., 253, 2023
8IYB
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BU of 8iyb by Molmil
Structure insight into substrate recognition and catalysis by feruloyl esterase from Aspergillus sydowii
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(4-HYDROXY-3-METHOXYPHENYL)-2-PROPENOIC ACID, ...
Authors:Phienluphon, A, Kondo, K, Mikami, B, Nagata, T, Katahira, M.
Deposit date:2023-04-04
Release date:2023-10-25
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural insights into the molecular mechanisms of substrate recognition and hydrolysis by feruloyl esterase from Aspergillus sydowii.
Int.J.Biol.Macromol., 253, 2023
8IYA
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BU of 8iya by Molmil
Complex of SETDB1-derived peptide bound to UBE2E1
Descriptor: Histone-lysine N-methyltransferase SETDB1, SULFATE ION, Ubiquitin-conjugating enzyme E2 E1
Authors:Du, Y.X, Liu, L.
Deposit date:2023-04-04
Release date:2024-01-03
Last modified:2024-07-17
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Structure-guided engineering enables E3 ligase-free and versatile protein ubiquitination via UBE2E1.
Nat Commun, 15, 2024
8IY8
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BU of 8iy8 by Molmil
Structure insight into substrate recognition and catalysis by feruloyl esterase from Aspergillus sydowii
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, Feruloyl esterase
Authors:Phienluphon, A, Kondo, K, Mikami, B, Nagata, T, Katahira, M.
Deposit date:2023-04-04
Release date:2023-10-25
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural insights into the molecular mechanisms of substrate recognition and hydrolysis by feruloyl esterase from Aspergillus sydowii.
Int.J.Biol.Macromol., 253, 2023
8IY6
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BU of 8iy6 by Molmil
ETB-Gi complex bound to Endotheline-1, focused on receptor
Descriptor: Endothelin type B receptor, Endothelin-1
Authors:Sano, F.K, Akasaka, H, Shihoya, W, Nureki, O.
Deposit date:2023-04-04
Release date:2023-08-16
Last modified:2023-12-06
Method:ELECTRON MICROSCOPY (3.13 Å)
Cite:Cryo-EM structure of the endothelin-1-ET B -G i complex.
Elife, 12, 2023
8IY5
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BU of 8iy5 by Molmil
ETB-Gi complex bound to endothelin-1
Descriptor: Endothelin type B receptor, Endothelin-1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Sano, F.K, Akasaka, H, Shihoya, W, Nureki, O.
Deposit date:2023-04-04
Release date:2023-08-16
Last modified:2023-12-06
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Cryo-EM structure of the endothelin-1-ET B -G i complex.
Elife, 12, 2023
8IXU
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BU of 8ixu by Molmil
Rat Transcobalamin in Complex with Cobalamin
Descriptor: CHLORIDE ION, COBALAMIN, NITRATE ION, ...
Authors:Bokhove, M, Kumasaka, T.
Deposit date:2023-04-03
Release date:2024-05-22
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:The structure of the rat vitamin B 12 transporter TC and its complex with glutathionylcobalamin.
J.Biol.Chem., 300, 2024
8IXT
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BU of 8ixt by Molmil
Rat Transcobalamin in Complex with Glutathionylcobalamin
Descriptor: CHLORIDE ION, COBALAMIN, GLUTATHIONE, ...
Authors:Bokhove, M, Kumasaka, T.
Deposit date:2023-04-03
Release date:2024-05-22
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:The structure of the rat vitamin B 12 transporter TC and its complex with glutathionylcobalamin.
J.Biol.Chem., 300, 2024
8IXS
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BU of 8ixs by Molmil
Methyl and Fluorine Effects in Novel Orally Bioavailable Keap1/Nrf2 PPI Inhibitor for Treatment of Chronic Kidney Disease
Descriptor: (2R,3S)-3-[[(2S)-2-fluoranyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanoyl]amino]-2-methyl-3-(4-methylphenyl)propanoic acid, Kelch-like ECH-associated protein 1, SULFATE ION
Authors:Nomura, A, Yamaguchi, K, Adachi, T.
Deposit date:2023-04-03
Release date:2023-06-14
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Methyl and Fluorine Effects in Novel Orally Bioavailable Keap1-Nrf2 PPI Inhibitor.
Acs Med.Chem.Lett., 14, 2023
8IXQ
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BU of 8ixq by Molmil
Structure of glycosyltransferase LmbT in complex with GDP and ergothioneine
Descriptor: GUANOSINE-5'-DIPHOSPHATE, Glycosyltransferase, trimethyl-[(2S)-1-oxidanyl-1-oxidanylidene-3-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)propan-2-yl]azanium
Authors:Mori, T, Sun, X, Abe, I.
Deposit date:2023-04-02
Release date:2024-04-03
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure of glycosyltransferase LmbT in complex with GDP and ergothioneine
To Be Published
8IXP
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BU of 8ixp by Molmil
Apo structure of glycosyltransferase LmbT wild type
Descriptor: Glycosyltransferase
Authors:Mori, T, Sun, X, Abe, I.
Deposit date:2023-04-02
Release date:2024-04-03
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Apo structure of glycosyltransferase LmbT wild type
To Be Published
8IXM
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BU of 8ixm by Molmil
Pseudomoans Aerugiona Wildtype Ketopantoate Reductase ternary complex with NADP+ and alpha-Ketoisocaproic acid
Descriptor: 2-OXO-4-METHYLPENTANOIC ACID, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 2-dehydropantoate 2-reductase, ...
Authors:Choudhury, G.B, Datta, S.
Deposit date:2023-04-01
Release date:2024-04-03
Last modified:2024-07-31
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Implication of Molecular Constraints Facilitating the Functional Evolution of Pseudomonas aeruginosa KPR2 into a Versatile alpha-Keto-Acid Reductase.
Biochemistry, 63, 2024
8IXH
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BU of 8ixh by Molmil
Pseudomoans aeruginosa Wildtype Ketopantoate Reductase With 3-Methyl-2-oxovalerate at substrate site
Descriptor: (3S)-3-methyl-2-oxopentanoic acid, 2-dehydropantoate 2-reductase, GLYCEROL
Authors:Choudhury, G.B, Datta, S.
Deposit date:2023-04-01
Release date:2024-04-03
Last modified:2024-07-31
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Implication of Molecular Constraints Facilitating the Functional Evolution of Pseudomonas aeruginosa KPR2 into a Versatile alpha-Keto-Acid Reductase.
Biochemistry, 63, 2024
8IX9
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BU of 8ix9 by Molmil
Pseudomoans Aerugiona Wildtype Ketopantoate Reductase with NADPH
Descriptor: 2-dehydropantoate 2-reductase, FORMIC ACID, GLYCEROL, ...
Authors:Choudhury, G.B, Datta, S.
Deposit date:2023-03-31
Release date:2024-04-03
Last modified:2024-07-31
Method:X-RAY DIFFRACTION (2.198 Å)
Cite:Implication of Molecular Constraints Facilitating the Functional Evolution of Pseudomonas aeruginosa KPR2 into a Versatile alpha-Keto-Acid Reductase.
Biochemistry, 63, 2024
8IX6
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BU of 8ix6 by Molmil
Crystal structure of Pyruvic Oxime Dioxygenase (POD) from Bradyrhizobium sp. WSM3983
Descriptor: Aldolase, NICKEL (II) ION, SULFATE ION
Authors:Tsujino, S, Yamada, Y, Fujiwara, T.
Deposit date:2023-03-31
Release date:2024-04-03
Method:X-RAY DIFFRACTION (2.47 Å)
Cite:Structural and functional analysis of pyruvic oxime dioxygenase, a key enzyme of heterotrophic nitrification
To Be Published
8IX3
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BU of 8ix3 by Molmil
Cryo-EM structure of SARS-CoV-2 BA.4/5 spike protein in complex with 1G11 (local refinement)
Descriptor: BA.4/5 variant spike protein, heavy chain of 1G11, light chain of 1G11
Authors:Sun, H, Jiang, Y, Zheng, Z, Zheng, Q, Li, S.
Deposit date:2023-03-31
Release date:2023-11-15
Last modified:2023-12-13
Method:ELECTRON MICROSCOPY (3.98 Å)
Cite:Structural basis for broad neutralization of human antibody against Omicron sublineages and evasion by XBB variant.
J.Virol., 97, 2023

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PDB entries from 2024-08-07

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