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9FHV
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BU of 9fhv by Molmil
Bacteroides ovatus polysaccharide lyase family 38 (BoPL38) wild type in complex pentasaccharide (ManGul)3 at pH 3.5
Descriptor: Alginate lyase family protein, SULFATE ION, beta-D-mannopyranuronic acid-(1-4)-alpha-L-gulopyranuronic acid-(1-4)-beta-D-mannopyranuronic acid-(1-4)-alpha-L-gulopyranuronic acid-(1-4)-beta-D-mannopyranuronic acid
Authors:Tandrup, T, Wilkens, C.
Deposit date:2024-05-28
Release date:2025-07-09
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:The Swiss Army Knife of Alginate Metabolism: Mechanistic Analysis of a Mixed-Function Polysaccharide Lyase/Epimerase of the Human Gut Microbiota.
J.Am.Chem.Soc., 2025
9FHX
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BU of 9fhx by Molmil
Bacteroides ovatus polysaccharide lyase family 38 (BoPL38) wild type in complex tetramannuronic acid at pH 8
Descriptor: Alginate lyase family protein, beta-D-mannopyranuronic acid-(1-4)-beta-D-mannopyranuronic acid-(1-4)-beta-D-mannopyranuronic acid-(1-4)-beta-D-mannopyranuronic acid
Authors:Tandrup, T, Wilkens, C.
Deposit date:2024-05-28
Release date:2025-07-09
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:The Swiss Army Knife of Alginate Metabolism: Mechanistic Analysis of a Mixed-Function Polysaccharide Lyase/Epimerase of the Human Gut Microbiota.
J.Am.Chem.Soc., 2025
9FHY
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BU of 9fhy by Molmil
Bacteroides ovatus polysaccharide lyase family 38 (BoPL38) wild type in complex with an unsaturated mannuronic acid tetramer at pH 3.5
Descriptor: 4-deoxy-alpha-L-erythro-hex-4-enopyranuronic acid-(1-4)-beta-D-mannopyranuronic acid-(1-4)-beta-D-mannopyranuronic acid, Alginate lyase family protein, SULFATE ION
Authors:Tandrup, T, Wilkens, C.
Deposit date:2024-05-28
Release date:2025-07-09
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:The Swiss Army Knife of Alginate Metabolism: Mechanistic Analysis of a Mixed-Function Polysaccharide Lyase/Epimerase of the Human Gut Microbiota.
J.Am.Chem.Soc., 2025
9FHZ
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BU of 9fhz by Molmil
Bacteroides ovatus polysaccharide lyase family 38 (BoPL38) wild type in complex unsaturated guluronic acid tetramer at pH 3.5
Descriptor: 4-deoxy-alpha-L-erythro-hex-4-enopyranuronic acid-(1-4)-alpha-L-gulopyranuronic acid, 4-deoxy-alpha-L-erythro-hex-4-enopyranuronic acid-(1-4)-alpha-L-gulopyranuronic acid-(1-4)-alpha-L-gulopyranuronic acid, Alginate lyase family protein, ...
Authors:Tandrup, T, Wilkens, C.
Deposit date:2024-05-28
Release date:2025-07-09
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:The Swiss Army Knife of Alginate Metabolism: Mechanistic Analysis of a Mixed-Function Polysaccharide Lyase/Epimerase of the Human Gut Microbiota.
J.Am.Chem.Soc., 2025
9FI0
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BU of 9fi0 by Molmil
Bacteroides ovatus polysaccharide lyase family 38 (BoPL38) mutant D108N
Descriptor: Alginate lyase family protein
Authors:Tandrup, T, Wilkens, C.
Deposit date:2024-05-28
Release date:2025-07-09
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:The Swiss Army Knife of Alginate Metabolism: Mechanistic Analysis of a Mixed-Function Polysaccharide Lyase/Epimerase of the Human Gut Microbiota.
J.Am.Chem.Soc., 2025
9FI2
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BU of 9fi2 by Molmil
Bacteroides ovatus polysaccharide lyase family 38 (BoPL38) mutant N242A at pH 3.5
Descriptor: Alginate lyase family protein
Authors:Tandrup, T, Wilkens, C.
Deposit date:2024-05-28
Release date:2025-07-09
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:The Swiss Army Knife of Alginate Metabolism: Mechanistic Analysis of a Mixed-Function Polysaccharide Lyase/Epimerase of the Human Gut Microbiota.
J.Am.Chem.Soc., 2025
9FI1
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BU of 9fi1 by Molmil
Bacteroides ovatus polysaccharide lyase family 38 (BoPL38) mutant H297N at pH 3.5
Descriptor: Alginate lyase family protein, SULFATE ION
Authors:Tandrup, T, Wilkens, C.
Deposit date:2024-05-28
Release date:2025-07-09
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:The Swiss Army Knife of Alginate Metabolism: Mechanistic Analysis of a Mixed-Function Polysaccharide Lyase/Epimerase of the Human Gut Microbiota.
J.Am.Chem.Soc., 2025
9FI3
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BU of 9fi3 by Molmil
Bacteroides ovatus polysaccharide lyase family 38 (BoPL38) mutant Q173N in complex with tetraguluronic acid at pH 3.5
Descriptor: Alginate lyase family protein, SULFATE ION
Authors:Tandrup, T, Wilkens, C.
Deposit date:2024-05-28
Release date:2025-07-09
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:The Swiss Army Knife of Alginate Metabolism: Mechanistic Analysis of a Mixed-Function Polysaccharide Lyase/Epimerase of the Human Gut Microbiota.
J.Am.Chem.Soc., 2025
9FI6
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BU of 9fi6 by Molmil
Bacteroides ovatus polysaccharide lyase family 38 (BoPL38) mutant Y91F+Y298F in complex with tetramannuronic acid at pH 3.5
Descriptor: Alginate lyase family protein, SULFATE ION, beta-D-mannopyranuronic acid-(1-4)-beta-D-mannopyranuronic acid-(1-4)-beta-D-mannopyranuronic acid-(1-4)-beta-D-mannopyranuronic acid
Authors:Tandrup, T, Wilkens, C.
Deposit date:2024-05-28
Release date:2025-07-09
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:The Swiss Army Knife of Alginate Metabolism: Mechanistic Analysis of a Mixed-Function Polysaccharide Lyase/Epimerase of the Human Gut Microbiota.
J.Am.Chem.Soc., 2025
9QEL
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BU of 9qel by Molmil
Crystal structure of YTHDF2 in complex with compound 4 (AI-DF2-13)
Descriptor: 6-(METHYLAMINO)-1H-PYRIMIDINE-2,4-DIONE, SULFATE ION, YTH domain-containing family protein 2
Authors:Nai, F, Invernizzi, A, Caflisch, A.
Deposit date:2025-03-10
Release date:2025-07-09
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Discovery of YTHDF2 Ligands by Fragment-Based Design
Acs Bio Med Chem Au, 2025
9HDG
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BU of 9hdg by Molmil
The structure of the catalytic domain of AfAA11B from the filamentous fungus Aspergillus fumigatus
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, AA11 family lytic polysaccharide monooxygenase B, ASCORBIC ACID, ...
Authors:Hall, K, Roennekleiv, S.E, Gautieri, A, Skaali, R, Rieder, L, Englund, A.N, Landsem, E, Emrich-Mills, T, Ayuso-Fernandez, I, Golten, O, Kjendseth, A.R, Soerlie, M, Eijsink, V.G.H.
Deposit date:2024-11-12
Release date:2025-07-09
Method:X-RAY DIFFRACTION (1.26 Å)
Cite:Structure-Function Analysis of an Understudied Type of LPMO with Unique Redox Properties and Substrate Specificity.
Acs Catalysis, 15, 2025
9R7J
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BU of 9r7j by Molmil
Repair of Iron Centre (RIC) protein from Staphylococcus aureus
Descriptor: FE (III) ION, Iron-sulfur cluster repair protein ScdA, OXYGEN ATOM, ...
Authors:Romao, C.V, Matias, P.M, Saraiva, L.M.
Deposit date:2025-05-14
Release date:2025-07-09
Method:X-RAY DIFFRACTION (2.73 Å)
Cite:Repair of Iron Centre (RIC) protein from Staphylococcus aureus
To Be Published
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
9FDH
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BU of 9fdh by Molmil
Closed Human phosphoglycerate kinase complex with BPG and ADP produced by cross-soaking a TSA crystal
Descriptor: 1,3-BISPHOSPHOGLYCERIC ACID, ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ...
Authors:Cliff, M.J, Waltho, J.P, Bowler, M.W, Baxter, N.J, Bisson, C, Blackburn, G.M.
Deposit date:2024-05-17
Release date:2025-05-28
Method:X-RAY DIFFRACTION (1.756 Å)
Cite:The role of magnesium in catalysis by phosphoglycerate kinase
To be published
9FDN
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BU of 9fdn by Molmil
Human phosphoglycerate kinase in complex with ATP and 3PG formed by cross-soaking a TSA crystal
Descriptor: 3-PHOSPHOGLYCERIC ACID, ADENOSINE-5'-TRIPHOSPHATE, Phosphoglycerate kinase 1, ...
Authors:Cliff, M.J, Waltho, J.P, Bowler, M.W, Baxter, N.J, Bisson, C, Blackburn, G.M.
Deposit date:2024-05-17
Release date:2025-05-28
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:The role of magnesium in catalysis by phosphoglycerate kinase
To be published
9FFM
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BU of 9ffm by Molmil
Cryo-EM structure of the alpha1beta3 GABA(A) receptor in complex with Mb25 in the resting state
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DECANE, Gamma-aminobutyric acid receptor subunit alpha-1, ...
Authors:Mihaylov, D.B, Malinauskas, T, Aricescu, A.R.
Deposit date:2024-05-23
Release date:2025-06-04
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Cryo-EM structure of the alpha1beta3 GABA(A) receptor in complex with Mb25 in the resting state
To Be Published
9FF2
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BU of 9ff2 by Molmil
Cryo-EM structure of the beta3 homomeric GABA(A) receptor in complex with HSM in the long-lived symmetric desensitised state (C1)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
Authors:Mihaylov, D.B, Malinauskas, T, Aricescu, A.R.
Deposit date:2024-05-21
Release date:2025-06-04
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Cryo-EM structure of the beta3 homomeric GABA(A) receptor in complex with HSM in the long-lived symmetric desensitised state (C1)
To Be Published
9FEZ
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BU of 9fez by Molmil
Cryo-EM structure of the beta3 homomeric GABA(A) receptor in complex with HSM in the short-lived asymmetric pre-active state
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Gamma-aminobutyric acid receptor subunit beta-3, ...
Authors:Mihaylov, D.B, Malinauskas, T, Aricescu, A.R.
Deposit date:2024-05-21
Release date:2025-06-04
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Cryo-EM structure of the beta3 homomeric GABA(A) receptor in complex with HSM in the short-lived asymmetric pre-active state
To Be Published
9FFN
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BU of 9ffn by Molmil
Cryo-EM structure of the alpha1beta3 GABA(A) receptor in complex with GABA and Mb25 in the short-lived asymmetric pre-active 1 state of branch 1
Descriptor: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
Authors:Mihaylov, D.B, Malinauskas, T, Aricescu, A.R.
Deposit date:2024-05-23
Release date:2025-06-04
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Cryo-EM structure of the alpha1beta3 GABA(A) receptor in complex with GABA and Mb25 in the short-lived asymmetric pre-active 1 state of branch 1
To Be Published
9FUL
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BU of 9ful by Molmil
Crystal structure of SNAr1.3 in complex with iodide
Descriptor: Chain A, IODIDE ION, TETRAETHYLENE GLYCOL
Authors:Roberts, G.R, Leys, D.
Deposit date:2024-06-26
Release date:2025-01-29
Last modified:2025-03-26
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Engineered enzymes for enantioselective nucleophilic aromatic substitutions.
Nature, 639, 2025
9FYU
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BU of 9fyu by Molmil
Crystal structure of the engineered photoenzyme VEnT1.0
Descriptor: 1,2-ETHANEDIOL, Diisopropyl-fluorophosphatase
Authors:Hardy, F.J, Roberts, G.W.
Deposit date:2024-07-04
Release date:2025-05-14
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Efficient and selective energy transfer photoenzymes powered by visible light.
Nat.Chem., 2025
9G8K
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BU of 9g8k by Molmil
Structure of K+-dependent Na+-PPase from Thermotoga maritima in complex with Ca2+ and Etidronate
Descriptor: (1-hydroxyethane-1,1-diyl)bis(phosphonic acid), CALCIUM ION, DODECYL-BETA-D-MALTOSIDE, ...
Authors:Vidilaseris, K, Liu, J, Goldman, A.
Deposit date:2024-07-23
Release date:2025-06-04
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Conformational dynamics and asymmetry in multimodal inhibition of membrane-bound pyrophosphatases
Elife, 2024
9GCA
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BU of 9gca by Molmil
Crystal structure of Pseudomonas aeruginosa IspD in complex with C8H8N2O
Descriptor: 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase, 6-methyl-5~{H}-pyrrolo[3,4-b]pyridin-7-one
Authors:Borel, F, D'Auria, L.
Deposit date:2024-08-01
Release date:2025-06-11
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Fragment Discovery by X-Ray Crystallographic Screening Targeting the CTP Binding Site of Pseudomonas Aeruginosa IspD.
Angew.Chem.Int.Ed.Engl., 64, 2025
9GFY
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BU of 9gfy by Molmil
Endothiapepsin in complex with pepstatin soaked at pH 7.6
Descriptor: DIMETHYL SULFOXIDE, Endothiapepsin, PENTAETHYLENE GLYCOL, ...
Authors:Mueller, J.M, Glinca, S.
Deposit date:2024-08-12
Release date:2025-06-11
Method:X-RAY DIFFRACTION (1.23 Å)
Cite:Protonation Effects in Protein-Ligand Complexes - A Case Study of Endothiapepsin and Pepstatin A with Computational and Experimental Methods.
Chemmedchem, 20, 2025
9G6U
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BU of 9g6u by Molmil
p53-Y220C Core Domain Covalently Bound to 3,5-Dichloro-6-Ethylpyrazine-2-carbonitirle Soaked at 5 mM
Descriptor: 1,2-ETHANEDIOL, 3,5-bis(chloranyl)-6-ethyl-pyrazine-2-carbonitrile, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Stahlecker, J, Klett, T, Stehle, T, Boeckler, F.M.
Deposit date:2024-07-19
Release date:2025-06-11
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:SNAr Reactive Pyrazine Derivatives as p53-Y220C Cleft Binders with Diverse Binding Modes
Drug Des Devel Ther, 2025

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PDB entries from 2025-07-09

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