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9DIK
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BU of 9dik by Molmil
Crystal structure of Plasmodium falciparum dihydroorotate dehydrogenase bound with Inhibitor DSM681 (N-cyclopropyl-1,4-dimethyl-5-((6-(trifluoromethyl)pyridin-3-yl)methyl)-1H-pyrazole-3-carboxamide)
Descriptor: 6-[bis(oxidanyl)methyl]-5~{H}-pyrimidine-2,4-dione, Dihydroorotate dehydrogenase (quinone), mitochondrial, ...
Authors:Deng, X, Tomchick, D, Phillips, M.
Deposit date:2024-09-05
Release date:2025-01-01
Last modified:2025-01-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure-Based Discovery and Development of Highly Potent Dihydroorotate Dehydrogenase Inhibitors for Malaria Chemoprevention.
J.Med.Chem., 68, 2025
9CS8
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BU of 9cs8 by Molmil
Structure of Azospirillum bacterial CARD crystal form 2
Descriptor: Serine protease
Authors:Wein, T, Millman, A, Lange, K, Yirmiya, E, Hadary, R, Garb, J, Melamed, S, Steinruecke, F, Hill, A.B, Kranzusch, P.J, Sorek, R.
Deposit date:2024-07-23
Release date:2025-01-29
Last modified:2025-03-26
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:CARD domains mediate anti-phage defence in bacterial gasdermin systems.
Nature, 639, 2025
9CS7
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BU of 9cs7 by Molmil
Structure of Azospirillum bacterial CARD crystal form 1
Descriptor: Serine protease
Authors:Wein, T, Millman, A, Lange, K, Yirmiya, E, Hadary, R, Garb, J, Melamed, S, Steinruecke, F, HIll, A.B, Kranzusch, P.J, Sorek, R.
Deposit date:2024-07-23
Release date:2025-01-29
Last modified:2025-03-26
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:CARD domains mediate anti-phage defence in bacterial gasdermin systems.
Nature, 639, 2025
9DJT
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BU of 9djt by Molmil
Ternary complex structure of Cereblon-DDB1 bound to WIZ(ZF7) and the molecular glue WIZ-5
Descriptor: (3S)-3-(5-{[(4R)-6-ethyl-6-azaspiro[2.5]octan-4-yl]oxy}-1-oxo-1,3-dihydro-2H-isoindol-2-yl)piperidine-2,6-dione, DNA damage-binding protein 1, Protein Wiz, ...
Authors:Partridge, J.R, Ma, X, Ornelas, E.
Deposit date:2024-09-06
Release date:2024-11-27
Last modified:2024-12-11
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Discovery and Optimization of First-in-Class Molecular Glue Degraders of the WIZ Transcription Factor for Fetal Hemoglobin Induction to Treat Sickle Cell Disease.
J.Med.Chem., 67, 2024
9DGZ
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BU of 9dgz by Molmil
The Cryo-EM structure of recombinantly expressed apo hUGDH
Descriptor: UDP-glucose 6-dehydrogenase
Authors:Kadirvelraj, R, Walsh Jr, R.M, Wood, Z.W.
Deposit date:2024-09-03
Release date:2025-02-26
Last modified:2025-03-05
Method:ELECTRON MICROSCOPY (2.06 Å)
Cite:Cryo-EM Structure of Recombinantly Expressed hUGDH Unveils a Hidden, Alternative Allosteric Inhibitor.
Biochemistry, 64, 2025
9DH0
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BU of 9dh0 by Molmil
The Cryo-EM structure of recombinantly expressed hUGDH in complex with UDP-4-keto-xylose
Descriptor: (2R,3R,4R)-3,4-dihydroxy-5-oxooxan-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen diphosphate (non-preferred name), UDP-glucose 6-dehydrogenase
Authors:Kadirvelraj, R, Walsh Jr, R.M, Wood, Z.W.
Deposit date:2024-09-03
Release date:2025-03-05
Last modified:2025-03-12
Method:ELECTRON MICROSCOPY (2.38 Å)
Cite:Cryo-EM Structure of Recombinantly Expressed hUGDH Unveils a Hidden, Alternative Allosteric Inhibitor.
Biochemistry, 64, 2025
9CE6
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BU of 9ce6 by Molmil
Key structural role for the conserved cis-proline of soybean serine hydroxymethyltransferase
Descriptor: Serine hydroxymethyltransferase
Authors:Beamer, L.J, Samarakoon, V.
Deposit date:2024-06-26
Release date:2024-10-16
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Key structural role of a conserved cis-proline revealed by the P285S variant of soybean serine hydroxymethyltransferase 8.
Biochem.J., 481, 2024
9CYB
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BU of 9cyb by Molmil
SARS-CoV-2 PLpro in complex with inhibitor WEHI-P1
Descriptor: Papain-like protease, SUCCINIC ACID, [(3R)-1-cyclopentylpiperidin-3-yl](6-methoxynaphthalen-2-yl)methanone
Authors:Calleja, D.J, Lechtenberg, B.C, Kuchel, N.W, Devine, S.M, Bader, S.M, Doerflinger, M, Mitchell, J.P, Lessene, G, Komander, D.
Deposit date:2024-08-01
Release date:2025-04-09
Last modified:2025-04-16
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:A novel PLpro inhibitor improves outcomes in a pre-clinical model of long COVID.
Nat Commun, 16, 2025
9CYK
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BU of 9cyk by Molmil
SARS-CoV-2 PLpro in complex with inhibitor WEHI-P24
Descriptor: ACETIC ACID, GLYCEROL, Papain-like protease, ...
Authors:Calleja, D.J, Lechtenberg, B.C, Kuchel, N.W, Devine, S.M, Bader, S.M, Doerflinger, M, Mitchell, J.P, Lessene, G, Komander, D.
Deposit date:2024-08-02
Release date:2025-04-09
Last modified:2025-04-16
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:A novel PLpro inhibitor improves outcomes in a pre-clinical model of long COVID.
Nat Commun, 16, 2025
9CYC
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BU of 9cyc by Molmil
SARS-CoV-2 PLpro in complex with inhibitor WEHI-P2
Descriptor: (E)-1-[(3R)-1-cyclopentylpiperidin-3-yl]-N-methoxy-1-(6-methoxynaphthalen-2-yl)methanimine, ACETIC ACID, GLYCEROL, ...
Authors:Calleja, D.J, Lechtenberg, B.C, Kuchel, N.W, Devine, S.M, Bader, S.M, Doerflinger, M, Mitchel, J.P, Lessene, G, Komander, D.
Deposit date:2024-08-01
Release date:2025-04-09
Last modified:2025-04-16
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:A novel PLpro inhibitor improves outcomes in a pre-clinical model of long COVID.
Nat Commun, 16, 2025
9CYD
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BU of 9cyd by Molmil
SARS-CoV-2 PLpro in complex with inhibitor WEHI-P4
Descriptor: (1S,4s)-4-{(3R)-3-[(E)-(methoxyimino)(6-methoxynaphthalen-2-yl)methyl]piperidin-1-yl}cyclohexan-1-ol, CHLORIDE ION, Papain-like protease, ...
Authors:Calleja, D.J, Lechtenberg, B.C, Kuchel, N.W, Devine, S.M, Bader, S.M, Doerflinger, M, Mitchell, J.P, Lessene, G, Komander, D.
Deposit date:2024-08-02
Release date:2025-04-09
Last modified:2025-04-16
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:A novel PLpro inhibitor improves outcomes in a pre-clinical model of long COVID.
Nat Commun, 16, 2025
9CMR
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BU of 9cmr by Molmil
Saccharomyces cerevisiae Tom1 HECT domain
Descriptor: E3 ubiquitin-protein ligase TOM1, SULFATE ION
Authors:Schubert, H.L, Hill, C.P.
Deposit date:2024-07-15
Release date:2025-05-28
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Tom1p ubiquitin ligase structure, interaction with Spt6p, and function in maintaining normal transcript levels and the stability of chromatin in promoters.
To Be Published
9EUU
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BU of 9euu by Molmil
Structure of recombinant alpha-synuclein fibrils 1B capable of seeding GCIs in vivo
Descriptor: Alpha-synuclein
Authors:Burger, D, Kashyrina, M, Lewis, A, De Nuccio, F, Mohammed, I, de La Seigliere, H, van den Heuvel, L, Feuillie, C, Verchere, J, Berbon, M, Arotcarena, M, Retailleau, A, Bezard, E, Laferriere, F, Loquet, A, Bousset, L, Baron, T, Lofrumento, D.D, De Giorgi, F, Stahlberg, H, Ichas, F.
Deposit date:2024-03-28
Release date:2024-06-05
Method:ELECTRON MICROSCOPY (1.93 Å)
Cite:Multiple System Atrophy: Insights from aSyn Fibril Structure
To Be Published
9EM1
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BU of 9em1 by Molmil
Human pyridoxal phosphatase in complex with 7,8-dihydroxyflavone and phosphate
Descriptor: 7,8-bis(oxidanyl)-2-phenyl-chromen-4-one, Chronophin, GLYCEROL, ...
Authors:Brenner, M, Gohla, A, Schindelin, H.
Deposit date:2024-03-07
Release date:2024-06-12
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:7,8-Dihydroxyflavone is a direct inhibitor of human and murine pyridoxal phosphatase.
Elife, 13, 2024
9F18
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BU of 9f18 by Molmil
Crystal structure of a first-in-class antibody for alpha-1,6-fucosylated prostate-specific antigen
Descriptor: Heavy chain rabbit fab, Light chain rabbit fab
Authors:Halldorsson, S.
Deposit date:2024-04-18
Release date:2024-07-31
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:Development of a first-in-class antibody and a specific assay for alpha-1,6-fucosylated prostate-specific antigen.
Sci Rep, 14, 2024
9EQF
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BU of 9eqf by Molmil
Crystal structure of the L-arginine hydroxylase VioC MeHis316, bound to Fe(II), L-arginine, and succinate
Descriptor: 1,2-ETHANEDIOL, ARGININE, Alpha-ketoglutarate-dependent L-arginine hydroxylase, ...
Authors:Hardy, F.J.
Deposit date:2024-03-21
Release date:2024-07-31
Last modified:2024-08-21
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Probing Ferryl Reactivity in a Nonheme Iron Oxygenase Using an Expanded Genetic Code.
Acs Catalysis, 14, 2024
9EGV
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BU of 9egv by Molmil
HOIL-1 RING2 domain bound to ubiquitin
Descriptor: CHLORIDE ION, Polyubiquitin-C, RanBP-type and C3HC4-type zinc finger-containing protein 1, ...
Authors:Wang, X.S, Lechtenberg, B.C.
Deposit date:2024-11-21
Release date:2024-12-11
Last modified:2025-04-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:The RBR E3 ubiquitin ligase HOIL-1 can ubiquitinate diverse non-protein substrates in vitro.
Life Sci Alliance, 8, 2025
9ETL
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BU of 9etl by Molmil
Mouse CNPase catalytic domain with nanobody 8D
Descriptor: 2',3'-cyclic-nucleotide 3'-phosphodiesterase, Chains: D,C
Authors:Schroder, M, Markusson, S, Raasakka, A, Opazo, F, Kursula, P.
Deposit date:2024-03-26
Release date:2024-12-11
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Mouse CNPase catalytic domain with nanobody 8D
To Be Published
9EGW
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BU of 9egw by Molmil
HOIL-1 RING2 domain bound to ubiquitin-maltose (maltose not modelled)
Descriptor: CHLORIDE ION, Polyubiquitin-C, RanBP-type and C3HC4-type zinc finger-containing protein 1, ...
Authors:Wang, X.S, Lechtenberg, B.C.
Deposit date:2024-11-21
Release date:2024-12-11
Last modified:2025-04-16
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:The RBR E3 ubiquitin ligase HOIL-1 can ubiquitinate diverse non-protein substrates in vitro.
Life Sci Alliance, 8, 2025
9EOI
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BU of 9eoi by Molmil
Crystal structure of the GH19 endolysin from Pseudomonas aeruginosa
Descriptor: CITRATE ANION, Putative lytic enzyme
Authors:Edvardsen, P.K.T, Englund, A.N.B, Rohr, A.K, Vaaje-Kolstad, G.
Deposit date:2024-03-14
Release date:2025-02-19
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Characterization of the lytic enzyme of Pseudomonas aeruginosa
To Be Published
9EOL
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BU of 9eol by Molmil
N-acetylglucosamine 6-phosphate dehydratase: inhibited 6-phosphogluconic acid state of NagS
Descriptor: 6-PHOSPHOGLUCONIC ACID, SULFATE ION, UPF0309 protein SCO4393
Authors:McNae, I.W, Abrahams, J.P, Li, C.
Deposit date:2024-03-15
Release date:2025-02-19
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:A new pathway in central metabolism mediates nutrient control of development and antibiotic production by Streptomyces
Biorxiv, 2024
9E3B
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BU of 9e3b by Molmil
Cryo-EM structure of PRMT5/WDR77 in complex with 6S complex
Descriptor: Methylosome protein WDR77, Methylosome subunit pICln, Protein arginine N-methyltransferase 5, ...
Authors:Jin, C.Y, Hunkeler, M, Fischer, E.S.
Deposit date:2024-10-23
Release date:2025-02-19
Method:ELECTRON MICROSCOPY (3.06 Å)
Cite:Substrate adaptors are flexible tethering modules that enhance substrate methylation by the arginine methyltransferase PRMT5.
J.Biol.Chem., 301, 2025
9EWF
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BU of 9ewf by Molmil
Cholera toxin B subunit in complex with fluorinated GM1
Descriptor: (2R,3S,4S,5R,6R)-6-dodecoxy-5-fluoranyl-2-(hydroxymethyl)oxane-3,4-diol, 2-deoxy-2-fluoro-beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose-(1-4)-[N-acetyl-alpha-neuraminic acid-(2-3)]beta-D-galactopyranose, Cholera enterotoxin subunit B
Authors:Fan, J, Koehnke, J.
Deposit date:2024-04-03
Release date:2025-02-26
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Probing the Origin of Affinity in the GM1-Cholera Toxin Complex through Site-Selective Editing with Fluorine.
Acs Cent.Sci., 10, 2024
9EU4
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BU of 9eu4 by Molmil
GH29A alpha-L-fucosidase
Descriptor: Exported alpha-L-fucosidase protein, SULFATE ION, beta-L-fucopyranose
Authors:Yang, Y.Y, Zeuner, B, Morth, J.P.
Deposit date:2024-03-27
Release date:2025-03-05
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Structural elucidation and characterization of GH29A alpha-l-fucosidases and the effect of pH on their transglycosylation.
Febs J., 292, 2025
9EU3
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BU of 9eu3 by Molmil
GH29A alpha-L-fucosidase
Descriptor: Alpha-L-fucosidase, CHLORIDE ION, ZINC ION, ...
Authors:Yang, Y.Y, Zeuner, B, Morth, J.P.
Deposit date:2024-03-27
Release date:2025-03-05
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Structural elucidation and characterization of GH29A alpha-l-fucosidases and the effect of pH on their transglycosylation.
Febs J., 292, 2025

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PDB entries from 2025-06-04

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