5PLD
 
 | | PanDDA analysis group deposition -- Crystal Structure of JMJD2D after initial refinement with no ligand modelled (structure 134) | | Descriptor: | 1,2-ETHANEDIOL, Lysine-specific demethylase 4D, MAGNESIUM ION, ... | | Authors: | Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Vollmar, M, Ng, J, Szykowska, A, Burgess-Brown, N, Brennan, P.E, Cox, O, Oppermann, U, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. | | Deposit date: | 2017-02-07 | | Release date: | 2017-03-15 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.46 Å) | | Cite: | A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
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7GUH
 | | Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 1 at 7.55 MGy X-ray dose. | | Descriptor: | 5-[(5-chloranylpyrimidin-4-yl)amino]-1,3-dihydroindol-2-one, B-cell lymphoma 6 protein, CHLORIDE ION, ... | | Authors: | Rodrigues, M.J, Le Bihan, Y.V, van Montfort, R.L.M. | | Deposit date: | 2024-01-09 | | Release date: | 2025-02-26 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Specific radiation damage to halogenated inhibitors and ligands in protein-ligand crystal structures.
J.Appl.Crystallogr., 57, 2024
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5PLQ
 | | PanDDA analysis group deposition -- Crystal Structure of JMJD2D after initial refinement with no ligand modelled (structure 147) | | Descriptor: | 1,2-ETHANEDIOL, Lysine-specific demethylase 4D, MAGNESIUM ION, ... | | Authors: | Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Vollmar, M, Ng, J, Szykowska, A, Burgess-Brown, N, Brennan, P.E, Cox, O, Oppermann, U, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. | | Deposit date: | 2017-02-07 | | Release date: | 2017-03-15 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.36 Å) | | Cite: | A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
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7GUM
 | | Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 1 at 15.10 MGy X-ray dose. | | Descriptor: | 5-[(5-chloranylpyrimidin-4-yl)amino]-1,3-dihydroindol-2-one, B-cell lymphoma 6 protein, CHLORIDE ION, ... | | Authors: | Rodrigues, M.J, Le Bihan, Y.V, van Montfort, R.L.M. | | Deposit date: | 2024-01-09 | | Release date: | 2025-02-26 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Specific radiation damage to halogenated inhibitors and ligands in protein-ligand crystal structures.
J.Appl.Crystallogr., 57, 2024
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5PM0
 | | PanDDA analysis group deposition -- Crystal Structure of JMJD2D after initial refinement with no ligand modelled (structure 158) | | Descriptor: | 1,2-ETHANEDIOL, Lysine-specific demethylase 4D, MAGNESIUM ION, ... | | Authors: | Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Vollmar, M, Ng, J, Szykowska, A, Burgess-Brown, N, Brennan, P.E, Cox, O, Oppermann, U, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. | | Deposit date: | 2017-02-07 | | Release date: | 2017-03-15 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
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7GUO
 | | Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 1 at 18.12 MGy X-ray dose. | | Descriptor: | 5-[(5-chloranylpyrimidin-4-yl)amino]-1,3-dihydroindol-2-one, B-cell lymphoma 6 protein, CHLORIDE ION, ... | | Authors: | Rodrigues, M.J, Le Bihan, Y.V, van Montfort, R.L.M. | | Deposit date: | 2024-01-09 | | Release date: | 2025-02-26 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Specific radiation damage to halogenated inhibitors and ligands in protein-ligand crystal structures.
J.Appl.Crystallogr., 57, 2024
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7GUE
 | | Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 1 at 3.02 MGy X-ray dose. | | Descriptor: | 5-[(5-chloranylpyrimidin-4-yl)amino]-1,3-dihydroindol-2-one, B-cell lymphoma 6 protein, CHLORIDE ION, ... | | Authors: | Rodrigues, M.J, Le Bihan, Y.V, van Montfort, R.L.M. | | Deposit date: | 2024-01-09 | | Release date: | 2025-02-26 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Specific radiation damage to halogenated inhibitors and ligands in protein-ligand crystal structures.
J.Appl.Crystallogr., 57, 2024
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7YQV
 | | pH 5.5 SARS-CoV-2 BA.2.75 S Trimer (1 RBD Up) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | | Authors: | Wang, L. | | Deposit date: | 2022-08-08 | | Release date: | 2022-10-19 | | Last modified: | 2025-06-25 | | Method: | ELECTRON MICROSCOPY (3.58 Å) | | Cite: | Characterization of the enhanced infectivity and antibody evasion of Omicron BA.2.75.
Cell Host Microbe, 30, 2022
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7GUP
 | | Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 1 at 19.63 MGy X-ray dose. | | Descriptor: | 5-[(5-chloranylpyrimidin-4-yl)amino]-1,3-dihydroindol-2-one, B-cell lymphoma 6 protein, CHLORIDE ION, ... | | Authors: | Rodrigues, M.J, Le Bihan, Y.V, van Montfort, R.L.M. | | Deposit date: | 2024-01-09 | | Release date: | 2025-02-26 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Specific radiation damage to halogenated inhibitors and ligands in protein-ligand crystal structures.
J.Appl.Crystallogr., 57, 2024
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5PMU
 | | PanDDA analysis group deposition -- Crystal Structure of JMJD2D after initial refinement with no ligand modelled (structure 188) | | Descriptor: | 1,2-ETHANEDIOL, Lysine-specific demethylase 4D, MAGNESIUM ION, ... | | Authors: | Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Vollmar, M, Ng, J, Szykowska, A, Burgess-Brown, N, Brennan, P.E, Cox, O, Oppermann, U, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. | | Deposit date: | 2017-02-07 | | Release date: | 2017-03-15 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
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7GUF
 | | Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 1 at 4.53 MGy X-ray dose. | | Descriptor: | 5-[(5-chloranylpyrimidin-4-yl)amino]-1,3-dihydroindol-2-one, B-cell lymphoma 6 protein, CHLORIDE ION, ... | | Authors: | Rodrigues, M.J, Le Bihan, Y.V, van Montfort, R.L.M. | | Deposit date: | 2024-01-09 | | Release date: | 2025-02-26 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Specific radiation damage to halogenated inhibitors and ligands in protein-ligand crystal structures.
J.Appl.Crystallogr., 57, 2024
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7YQT
 | | SARS-CoV-2 BA.2.75 S Trimer (1 RBD Up) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | | Authors: | Wang, L. | | Deposit date: | 2022-08-08 | | Release date: | 2022-10-19 | | Last modified: | 2025-06-25 | | Method: | ELECTRON MICROSCOPY (3.45 Å) | | Cite: | Characterization of the enhanced infectivity and antibody evasion of Omicron BA.2.75.
Cell Host Microbe, 30, 2022
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5E2K
 | | Crystal structure of human carbonic anhydrase II in complex with the 4-(3-aminophenyl)benzenesulfonamide inhibitor | | Descriptor: | 3'-aminobiphenyl-4-sulfonamide, Carbonic anhydrase 2, GLYCEROL, ... | | Authors: | Ferraroni, M, Supuran, C.T. | | Deposit date: | 2015-10-01 | | Release date: | 2016-01-20 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | 4-Arylbenzenesulfonamides as Human Carbonic Anhydrase Inhibitors (hCAIs): Synthesis by Pd Nanocatalyst-Mediated Suzuki-Miyaura Reaction, Enzyme Inhibition, and X-ray Crystallographic Studies.
J.Med.Chem., 59, 2016
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6RNE
 | | DPP1 in complex with inhibitor | | Descriptor: | (2~{S},4~{S})-~{N}-[(2~{S})-1-azanyl-3-[4-(4-cyanophenyl)phenyl]propan-2-yl]-4-fluoranyl-pyrrolidine-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Kack, H. | | Deposit date: | 2019-05-08 | | Release date: | 2019-08-28 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | DPP1 Inhibitors: Exploring the Role of Water in the S2 Pocket of DPP1 with Substituted Pyrrolidines.
Acs Med.Chem.Lett., 10, 2019
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3M6M
 | | Crystal structure of RpfF complexed with REC domain of RpfC | | Descriptor: | 1,2-ETHANEDIOL, IODIDE ION, MAGNESIUM ION, ... | | Authors: | Cheng, Z, Lim, S.C, Qamra, R, Song, H. | | Deposit date: | 2010-03-16 | | Release date: | 2010-09-22 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural Basis of the Sensor-Synthase Interaction in Autoinduction of the Quorum Sensing Signal DSF Biosynthesis
Structure, 18, 2010
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7GUG
 | | Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 1 at 6.04 MGy X-ray dose. | | Descriptor: | 5-[(5-chloranylpyrimidin-4-yl)amino]-1,3-dihydroindol-2-one, B-cell lymphoma 6 protein, CHLORIDE ION, ... | | Authors: | Rodrigues, M.J, Le Bihan, Y.V, van Montfort, R.L.M. | | Deposit date: | 2024-01-09 | | Release date: | 2025-02-26 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Specific radiation damage to halogenated inhibitors and ligands in protein-ligand crystal structures.
J.Appl.Crystallogr., 57, 2024
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2WJN
 | | Lipidic sponge phase crystal structure of photosynthetic reaction centre from Blastochloris viridis (high dose) | | Descriptor: | 15-cis-1,2-dihydroneurosporene, BACTERIOCHLOROPHYLL B, BACTERIOPHEOPHYTIN B, ... | | Authors: | Wohri, A.B, Wahlgren, W.Y, Malmerberg, E, Johansson, L.C, Neutze, R, Katona, G. | | Deposit date: | 2009-05-27 | | Release date: | 2009-09-22 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Lipidic sponge phase crystal structure of a photosynthetic reaction center reveals lipids on the protein surface.
Biochemistry, 48, 2009
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7KDZ
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9AXI
 | | HIV 16055.v8.3 SOSIP Env in Complex with Base and N625 Epitope pAbs from Rabbit 2463 | | 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-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Brown, S, Antanasijevic, A, Ward, A.B. | | Deposit date: | 2024-03-06 | | Release date: | 2025-01-29 | | Last modified: | 2025-05-14 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Anti-immune complex antibodies are elicited during repeated immunization with HIV Env immunogens.
Sci Immunol, 10, 2025
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2PO3
 | | Crystal Structure Analysis of DesI in the presence of its TDP-sugar product | | Descriptor: | (2R,3R,4S,5S,6R)-3,4-DIHYDROXY-5-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)IMINO]-6-METHYLTETRAHYDRO-2H-PYRAN-2-YL [(2R,3S,5R)-3-HYDROXY-5-(5-METHYL-2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL)TETRAHYDROFURAN-2-YL]METHYL DIHYDROGEN DIPHOSPHATE, 4-dehydrase | | Authors: | Burgie, E.S, Holden, H.M. | | Deposit date: | 2007-04-25 | | Release date: | 2007-08-14 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Molecular Architecture of DesI: A Key Enzyme in the Biosynthesis of Desosamine
Biochemistry, 46, 2007
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2WLC
 | | Crystallographic analysis of the polysialic acid O-acetyltransferase OatWY | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, PHOSPHATE ION, ... | | Authors: | Lee, H.J, Rakic, B, Gilbert, M, Wakarchuk, W.W, Withers, S.G, Strynadka, N.C.J. | | Deposit date: | 2009-06-23 | | Release date: | 2009-06-30 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structural and Kinetic Characterizations of the Polysialic Acid O-Acetyltransferase Oatwy from Neisseria Meningitidis.
J.Biol.Chem., 284, 2009
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4BE9
 | | Open conformation of O. piceae sterol esterase | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | Authors: | Gutierrez-Fernandez, J, Vaquero, M.E, Prieto, A, Barriuso, J, Gonzalez, M.J, Hermoso, J.A. | | Deposit date: | 2013-03-06 | | Release date: | 2014-03-26 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal Structures of Ophiostoma Piceae Sterol Esterase: Structural Insights Into Activation Mechanism and Product Release.
J.Struct.Biol., 187, 2014
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6HW0
 | | Yeast 20S proteasome in complex with 7 | | Descriptor: | CHLORIDE ION, MAGNESIUM ION, Probable proteasome subunit alpha type-7, ... | | Authors: | Huber, E.M, Groll, M. | | Deposit date: | 2018-10-11 | | Release date: | 2019-01-30 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure-Based Design of Inhibitors Selective for Human Proteasome beta 2c or beta 2i Subunits.
J.Med.Chem., 62, 2019
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9LN5
 | | Crystal structure of P450revI A241L mutant in complex with reveromycin T | | Descriptor: | (2E,4S,5S,6E,8E)-10-{(2R,3S,6S,8R,9S)-9-butyl-8-[(1E,3E)-4-carboxy-3-methylbuta-1,3-dien-1-yl]-3-methyl-1,7-dioxaspiro[5.5]undec-2-yl}-5-hydroxy-4,8-dimethyldeca-2,6,8-trienoic acid, CHLORIDE ION, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Fujiyama, K, Yong, Y.F, Takahashi, S. | | Deposit date: | 2025-01-20 | | Release date: | 2025-07-02 | | Last modified: | 2025-07-30 | | Method: | X-RAY DIFFRACTION (2.13 Å) | | Cite: | Biosynthesis of reveromycin derivatives by altering the regioselectivity of cytochrome P450revI.
Chem Sci, 16, 2025
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5A8M
 | | Crystal structure of the selenomethionine derivative of beta-glucanase SdGluc5_26A from Saccharophagus degradans | | Descriptor: | CHLORIDE ION, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Sulzenbacher, G, Lafond, M, Freyd, T, Henrissat, B, Coutinho, R.M, Berrin, J.G, Garron, M.L. | | Deposit date: | 2015-07-16 | | Release date: | 2016-01-20 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | The Quaternary Structure of a Glycoside Hydrolase Dictates Specificity Towards Beta-Glucans
J.Biol.Chem., 291, 2016
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