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8QL1
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BU of 8ql1 by Molmil
Crystal structure of the human MDN1-MIDAS/NLE1-UBL complex
Descriptor: MAGNESIUM ION, NDE1, Notchless protein homolog 1
Authors:Wild, K, Fiorentino, F, Hurt, E, Sinning, I.
Deposit date:2023-09-19
Release date:2025-04-09
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:NDE1-MIDAS/NLE1-Ubl
To Be Published
8QN2
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BU of 8qn2 by Molmil
Helical foldamers as selective G-quadruplex ligands
Descriptor: ACE-QUK-QUK-ZY9-QUK, DNA (5'-D(*TP*GP*GP*GP*TP*TP*GP*GP*GP*TP*TP*GP*GP*GP*TP*TP*GP*GP*GP*T)-3'), MAGNESIUM ION, ...
Authors:Koenig, A, Thore, S, Gabelica, V.
Deposit date:2023-09-25
Release date:2025-04-09
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Helical foldamers as selective G-quadruplex ligands
To Be Published
8QNA
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BU of 8qna by Molmil
OPR3 variant - R366A
Descriptor: 12-oxophytodienoate reductase 3, FLAVIN MONONUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Bijelic, A, Macheroux, P, Kerschbaumer, B.
Deposit date:2023-09-26
Release date:2025-04-09
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structures of OPR3 wildtype and variants in complex with NAD(P)H
To Be Published
8QNE
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BU of 8qne by Molmil
OPR3 variant with redesigned loop 6 (9aa)
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 12-oxophytodienoate reductase 3, FLAVIN MONONUCLEOTIDE, ...
Authors:Bijelic, A, Macheroux, P, Kerschbaumer, B.
Deposit date:2023-09-26
Release date:2025-04-09
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Crystal structures of OPR3 wildtype and variants in complex with NAD(P)H
To Be Published
8QNK
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BU of 8qnk by Molmil
OPR3 variant R283D in complex with NADPH4
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 12-oxophytodienoate reductase 3, FLAVIN MONONUCLEOTIDE, ...
Authors:Bijelic, A, Macheroux, P, Kerschbaumer, B.
Deposit date:2023-09-27
Release date:2025-04-09
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Crystal structures of OPR3 wildtype and variants with NAD(P)H
To Be Published
8QNM
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BU of 8qnm by Molmil
OPR3 with redesigned Loop 6 (9aa) in complex with NADPH4
Descriptor: 12-oxophytodienoate reductase 3, FLAVIN MONONUCLEOTIDE, [[(2R,3S,4R,5R)-5-(5-aminocarbonyl-3,4-dihydro-2H-pyridin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methyl hydrogen phosphate
Authors:Bijelic, A, Macheroux, P, Kerschbaumer, B.
Deposit date:2023-09-27
Release date:2025-04-09
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Crystal structures of OPR3 wildtype and variants in complex with NAD(P)H
To Be Published
8QNP
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BU of 8qnp by Molmil
OPR3 with redesigned loop 6 (9aa) in complex with NADH4
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,4,5,6-Tetrahydronicotinamide adenine dinucleotide, 12-oxophytodienoate reductase 3, ...
Authors:Bijelic, A, Macheroux, P, Kerschbaumer, B.
Deposit date:2023-09-27
Release date:2025-04-09
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structures of OPR3 wildtype and variants with NAD(P)H
To Be Published
8QNW
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BU of 8qnw by Molmil
OPR3 variant with redesigned loop 6 (8aa)
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 12-oxophytodienoate reductase 3, FLAVIN MONONUCLEOTIDE, ...
Authors:Bijelic, A, Macheroux, P, Kerschbaumer, B.
Deposit date:2023-09-27
Release date:2025-04-09
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Crystal structures of OPR3 wildtype and variants in complex with NAD(P)H
To Be Published
8QNX
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BU of 8qnx by Molmil
OPR3 variant with redesigned loop 6 (8aa) in complex with NADH4
Descriptor: 1,4,5,6-Tetrahydronicotinamide adenine dinucleotide, 12-oxophytodienoate reductase 3, FLAVIN MONONUCLEOTIDE, ...
Authors:Bijelic, A, Macheroux, P, Kerschbaumer, B.
Deposit date:2023-09-27
Release date:2025-04-09
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Crystal structures of OPR3 wildtype and variants in complex with NAD(P)H
To Be Published
8QNY
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BU of 8qny by Molmil
OPR3 variant with redesigned loop 6 (8aa) in complex with NADPH4
Descriptor: 12-oxophytodienoate reductase 3, FLAVIN MONONUCLEOTIDE, [[(2R,3S,4R,5R)-5-(5-aminocarbonyl-3,4-dihydro-2H-pyridin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methyl hydrogen phosphate
Authors:Bijelic, A, Macheroux, P, Kerschbaumer, B.
Deposit date:2023-09-27
Release date:2025-04-09
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal structures of OPR3 wildtype and variants in complex with NAD(P)H
To Be Published
8QO6
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BU of 8qo6 by Molmil
OPR3 variant R283D in complex with NADH4
Descriptor: 1,4,5,6-Tetrahydronicotinamide adenine dinucleotide, 12-oxophytodienoate reductase 3, FLAVIN MONONUCLEOTIDE
Authors:Bijelic, A, Macheroux, P, Kerschbaumer, B.
Deposit date:2023-09-28
Release date:2025-04-09
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Crystal structures of OPR3 wildtype and variants in complex with NAD(P)H
To Be Published
8QO7
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BU of 8qo7 by Molmil
OPR3 variant R283E in complex with NADPH4
Descriptor: 12-oxophytodienoate reductase 3, FLAVIN MONONUCLEOTIDE, SULFATE ION, ...
Authors:Bijelic, A, Macheroux, P, Kerschbaumer, B.
Deposit date:2023-09-28
Release date:2025-04-09
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Crystal structures of OPR3 wildtype and variants in complex with NAD(P)H
To Be Published
8QO8
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BU of 8qo8 by Molmil
OPR3 variant R283E in complex with NADH4
Descriptor: 1,4,5,6-Tetrahydronicotinamide adenine dinucleotide, 12-oxophytodienoate reductase 3, FLAVIN MONONUCLEOTIDE
Authors:Bijelic, A, Macheroux, P, Kerschbaumer, B.
Deposit date:2023-09-28
Release date:2025-04-09
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Crystal structures of OPR3 wildtype and variants in complex with NAD(P)H
To Be Published
8U38
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BU of 8u38 by Molmil
Structure of a bacterial multi-ubiquitin domain protein
Descriptor: CALCIUM ION, Methylobacterium brachiatum Ubl-BilA, PHOSPHATE ION
Authors:Ye, Q, Gong, M, Corbett, K.D.
Deposit date:2023-09-07
Release date:2025-04-09
Method:X-RAY DIFFRACTION (3.04 Å)
Cite:Bacteria encode eukaryotic-like ubiquitination pathways that function in antiviral defense
To be published
8UIY
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BU of 8uiy by Molmil
In situ human P-Z state 80S ribosome
Descriptor: 18S rRNA, 28S rRNA, 40S ribosomal protein S10, ...
Authors:Wei, Z, Yong, X.
Deposit date:2023-10-10
Release date:2025-04-09
Method:ELECTRON MICROSCOPY (3.44 Å)
Cite:In situ human P-Z state 80S ribosome
To Be Published
8UIZ
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BU of 8uiz by Molmil
In situ human P-E state 80S ribosome
Descriptor: 18S rRNA [Homo sapiens], 28S rRNA, 40S ribosomal protein S10, ...
Authors:Wei, Z, Yong, X.
Deposit date:2023-10-10
Release date:2025-04-09
Method:ELECTRON MICROSCOPY (3.43 Å)
Cite:In situ human P-E state 80S ribosome
To Be Published
8VP4
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BU of 8vp4 by Molmil
Crystal Structure of JF1cpCasp2 with Peptide Inhibitor AcVDVAD-CHO
Descriptor: AcVDVAD-CHO, JF1cpCasp2
Authors:Fuller, J.L, Shi, K, Walters, M.A, Finzel, B.C.
Deposit date:2024-01-16
Release date:2025-04-09
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Reengineering of Circularly Permuted Caspase-2 to Enhance Enzyme Stability and Enable Crystallographic Studies.
Acs Chem.Biol., 2025
8YNU
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BU of 8ynu by Molmil
Crystal structure of the myb domain of S.pombe Tbf1 in the P222 space group
Descriptor: GLYCEROL, Telomeric DNA-binding factor trf1
Authors:Zhou, Y.Z, Wu, Z.F.
Deposit date:2024-03-12
Release date:2025-04-09
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Structural and functional insights into yeast Tbf1 as an atypical telomeric repeat-binding factor.
Structure, 32, 2024
8YS7
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BU of 8ys7 by Molmil
Crystal structure of actinomycin D and Echinomycin-d(ACGGGCT/AGCCCCGT) complex
Descriptor: 2-CARBOXYQUINOXALINE, DNA (5'-D(P*AP*CP*GP*GP*GP*CP*T)-3'), DNA (5'-D(P*AP*GP*CP*CP*CP*CP*GP*T)-3'), ...
Authors:Lee, Y.Y, Hou, M.H.
Deposit date:2024-03-22
Release date:2025-04-09
Method:X-RAY DIFFRACTION (3.24 Å)
Cite:Crystal structure of actinomycin D and Echinomycin-d(ACGGGCT/AGCCCCGT) complex
To Be Published
8YSW
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BU of 8ysw by Molmil
phosphinothricin dehydrogenase
Descriptor: 1,2-ETHANEDIOL, Glutamate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Xue, Y.P, Cheng, F, Zhou, S.P, Xu, J.M, Jin, L.Q, Ma, C.J, Zheng, Y.G.
Deposit date:2024-03-23
Release date:2025-04-09
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Crystal Structure of phosphinothricin dehydrogenase with NAD at 2.6 Angstorms resolution
To Be Published
8YU3
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BU of 8yu3 by Molmil
NMR solution structure of the 2:1 complex of a platinum(II) compound bound to Myc1234 G-quadruplex
Descriptor: Bis(1,10-phenanthroline)platinum(II), DNA (5'-D(*TP*AP*GP*GP*GP*AP*GP*GP*GP*TP*AP*GP*GP*GP*AP*GP*GP*GP*T)-3')
Authors:Liu, W, Mao, Z.W.
Deposit date:2024-03-26
Release date:2025-04-09
Method:SOLUTION NMR
Cite:Solution structures and effects of a platinum compound successively bound MYC G-quadruplex.
Nucleic Acids Res., 52, 2024
8YUE
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BU of 8yue by Molmil
Crystal structure of the kinesin-14 motor protein from Drosophila melanogaster
Descriptor: ADENOSINE-5'-DIPHOSPHATE, PHOSPHATE ION, Protein claret segregational
Authors:Wei, Y, Jobichen, C, Imasaki, T, Nitta, R, Wang, M.Y, Sivaraman, J, Endow, S.A.
Deposit date:2024-03-27
Release date:2025-04-09
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Crystal structure of a kinesin-related protein from Drosophila melanogaster
To Be Published
8YWU
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BU of 8ywu by Molmil
Human PPAR alpha ligand binding domain in complex with a 1H-pyrazolo[3,4-b]pyridine-derived compound
Descriptor: 1-(4-fluorophenyl)-6-[2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]ethyl]-3-pentan-3-yl-pyrazolo[3,4-b]pyridine-4-carboxylic acid, Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma coactivator 1-alpha
Authors:Tachibana, K, Morie, T, Fukuda, S, Yuzuriha, T, Ishimoto, K, Nunomura, K, Lin, B, Miyachi, H, Oki, H, Kawahara, K, Meguro, K, Nakagawa, S, Tsujikawa, K, Akai, S, Doi, T, Yoshida, T.
Deposit date:2024-04-01
Release date:2025-04-09
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Structural evolution of 1H-pyrazolo[3,4-b]pyridine-derived PPARalpha activators as leads for nonalcoholic steatohepatitis
To Be Published
8YWV
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BU of 8ywv by Molmil
Human PPAR alpha ligand binding domain in complex with a 1H-pyrazolo[3,4-b]pyridine-derived compound
Descriptor: 1-(4-fluorophenyl)-6-[4-(2-methylpropoxycarbonyl)piperazin-1-yl]-3-pentan-3-yl-pyrazolo[3,4-b]pyridine-4-carboxylic acid, Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma coactivator 1-alpha
Authors:Tachibana, K, Morie, T, Fukuda, S, Yuzuriha, T, Ishimoto, K, Nunomura, K, Lin, B, Miyachi, H, Oki, H, Kawahara, K, Meguro, K, Nakagawa, S, Tsujikawa, K, Akai, S, Doi, T, Yoshida, T.
Deposit date:2024-04-01
Release date:2025-04-09
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Structural evolution of 1H-pyrazolo[3,4-b]pyridine-derived PPARalpha activators as leads for nonalcoholic steatohepatitis
To Be Published
8YWY
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BU of 8ywy by Molmil
Crystal structure of SARS-Cov-2 main protease E166N mutant in complex with Bofutrelvir
Descriptor: 3C-like proteinase nsp5, ~{N}-[(2~{S})-3-cyclohexyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]-1~{H}-indole-2-carboxamide
Authors:Zhou, X.L, Wang, W.W, Zhang, J, Li, J.
Deposit date:2024-04-01
Release date:2025-04-09
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Inhibitory efficacy and structural insights of Bofutrelvir against SARS-CoV-2 M pro mutants and MERS-CoV M pro.
Commun Biol, 8, 2025

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PDB entries from 2025-04-09

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