8AZW
 
 | | Cryo-EM structure of the plant 60S subunit | | Descriptor: | 25S rRNA, 5.8S rRNA, 5S rRNA, ... | | Authors: | Smirnova, J, Loerke, J, Kleinau, G, Schmidt, A, Buerger, J, Meyer, E.H, Mielke, T, Scheerer, P, Bock, R, Spahn, C.M.T, Zoschke, R. | | Deposit date: | 2022-09-06 | | Release date: | 2023-06-07 | | Last modified: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (2.14 Å) | | Cite: | Structure of the actively translating plant 80S ribosome at 2.2 angstrom resolution.
Nat.Plants, 9, 2023
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8B0B
 | | Crystal structure of human heparanase in complex with covalent inhibitor VB151 | | Descriptor: | (1~{S},2~{R},3~{R},4~{S},6~{S})-2-(2-acetamidoethoxy)-3,4,6-tris(oxidanyl)cyclohexane-1-carboxylic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Armstrong, Z, Davies, G.J. | | Deposit date: | 2022-09-07 | | Release date: | 2022-12-28 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | 4-O-Substituted Glucuronic Cyclophellitols are Selective Mechanism-Based Heparanase Inhibitors.
Chemmedchem, 18, 2023
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8B0C
 | | Crystal structure of human heparanase in complex with covalent inhibitor VB158 | | Descriptor: | (1~{S},2~{R},3~{R},4~{S},6~{S})-3,4,6-tris(oxidanyl)-2-[2-[2,2,2-tris(fluoranyl)ethanoylamino]ethoxy]cyclohexane-1-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, Heparanase 50 kDa subunit, ... | | Authors: | Armstrong, Z, Davies, G. | | Deposit date: | 2022-09-07 | | Release date: | 2022-12-28 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | 4-O-Substituted Glucuronic Cyclophellitols are Selective Mechanism-Based Heparanase Inhibitors.
Chemmedchem, 18, 2023
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8B0D
 | | Crystal structure of beta-glucuronidase from Acidobacterium capsulatum in complex with covalent inhibitor VB151 | | Descriptor: | (1~{S},2~{R},3~{R},4~{S},6~{S})-2-(2-acetamidoethoxy)-3,4,6-tris(oxidanyl)cyclohexane-1-carboxylic acid, ALANINE, SULFATE ION, ... | | Authors: | Armstrong, Z, Davies, G.J. | | Deposit date: | 2022-09-07 | | Release date: | 2022-12-28 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | 4-O-Substituted Glucuronic Cyclophellitols are Selective Mechanism-Based Heparanase Inhibitors.
Chemmedchem, 18, 2023
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8B0E
 | | Crystal structure of beta-glucuronidase from Acidobacterium capsulatum in complex with covalent inhibitor VB158 | | Descriptor: | (1~{S},2~{R},3~{R},4~{S},6~{S})-3,4,6-tris(oxidanyl)-2-[2-[2,2,2-tris(fluoranyl)ethanoylamino]ethoxy]cyclohexane-1-carboxylic acid, beta-glucuronidase from Acidobacterium capsulatum | | Authors: | Armstrong, Z, Davies, G.J. | | Deposit date: | 2022-09-07 | | Release date: | 2022-12-28 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | 4-O-Substituted Glucuronic Cyclophellitols are Selective Mechanism-Based Heparanase Inhibitors.
Chemmedchem, 18, 2023
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8B0F
 | | CryoEM structure of C5b8-CD59 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Bubeck, D, Couves, E.C, Gardner, S. | | Deposit date: | 2022-09-07 | | Release date: | 2023-02-22 | | Last modified: | 2023-03-01 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Structural basis for membrane attack complex inhibition by CD59.
Nat Commun, 14, 2023
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8B0G
 | | 2C9, C5b9-CD59 structure | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CD59 glycoprotein, Complement C5, ... | | Authors: | Couves, E.C, Gardner, S, Bubeck, D. | | Deposit date: | 2022-09-07 | | Release date: | 2023-02-22 | | Last modified: | 2023-03-01 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Structural basis for membrane attack complex inhibition by CD59.
Nat Commun, 14, 2023
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8B0H
 | | 2C9, C5b9-CD59 cryoEM structure | | Descriptor: | CD59 glycoprotein, Complement C5, Complement component C6, ... | | Authors: | Couves, E.C, Gardner, S, Bubeck, D. | | Deposit date: | 2022-09-07 | | Release date: | 2023-02-22 | | Last modified: | 2023-03-01 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Structural basis for membrane attack complex inhibition by CD59.
Nat Commun, 14, 2023
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8B0X
 | | Translating 70S ribosome in the unrotated state (P and E, tRNAs) | | Descriptor: | 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ... | | Authors: | Fromm, S.A, O'Connor, K.M, Purdy, M, Bhatt, P.R, Loughran, G, Atkins, J.F, Jomaa, A, Mattei, S. | | Deposit date: | 2022-09-08 | | Release date: | 2022-11-30 | | Last modified: | 2024-04-24 | | Method: | ELECTRON MICROSCOPY (1.55 Å) | | Cite: | The translating bacterial ribosome at 1.55 angstrom resolution generated by cryo-EM imaging services.
Nat Commun, 14, 2023
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8B2A
 | | Crystal structure of type I dehydroquinase from Salmonella typhi inhibited by an epoxide derivative | | Descriptor: | (4R,5R)-3-amino-4,5-dihydroxy-cyclohexene-1-carboxylic acid, 3-dehydroquinate dehydratase, CHLORIDE ION, ... | | Authors: | Otero, J.M, Rodriguez, A, Maneiro, M, Lence, E, Thompson, P, Hawkins, A.R, Gonzalez-Bello, C, van Raaij, M.J. | | Deposit date: | 2022-09-13 | | Release date: | 2023-02-15 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Quinate-based ligands for irreversible inactivation of the bacterial virulence factor DHQ1 enzyme-A molecular insight.
Front Mol Biosci, 10, 2023
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8B2B
 | | Crystal structure of type I dehydroquinase from Salmonella typhi inhibited by an epoxide derivative | | Descriptor: | (4R,5R)-3-amino-4,5-dihydroxy-cyclohexene-1-carboxylic acid, 3-dehydroquinate dehydratase, SODIUM ION | | Authors: | Otero, J.M, Rodriguez, A, Maneiro, M, Lence, E, Thompson, P, Hawkins, A.R, Gonzalez-Bello, C, van Raaij, M.J. | | Deposit date: | 2022-09-13 | | Release date: | 2023-02-15 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Quinate-based ligands for irreversible inactivation of the bacterial virulence factor DHQ1 enzyme-A molecular insight.
Front Mol Biosci, 10, 2023
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8B2C
 | | Crystal structure of type I dehydroquinase from Salmonella typhi inhibited by an epoxide derivative | | Descriptor: | (1~{S},2~{R},4~{R},5~{S},6~{S})-2,4,5-trihydroxy-7-oxabicyclo[4.1.0]heptane-2-carboxylic acid, 3-dehydroquinate dehydratase, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | Authors: | Otero, J.M, Rodriguez, A, Maneiro, M, Lence, E, Thompson, P, Hawkins, A.R, Gonzalez-Bello, C, van Raaij, M.J. | | Deposit date: | 2022-09-13 | | Release date: | 2023-02-15 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Quinate-based ligands for irreversible inactivation of the bacterial virulence factor DHQ1 enzyme-A molecular insight.
Front Mol Biosci, 10, 2023
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8B2L
 | | Cryo-EM structure of the plant 80S ribosome | | Descriptor: | 18S rRNA, 25S rRNA, 30S ribosomal protein S15, ... | | Authors: | Smirnova, J, Loerke, J, Kleinau, G, Schmidt, A, Buerger, J, Meyer, E.H, Mielke, T, Scheerer, P, Bock, R, Spahn, C.M.T, Zoschke, R. | | Deposit date: | 2022-09-14 | | Release date: | 2023-08-23 | | Last modified: | 2024-04-24 | | Method: | ELECTRON MICROSCOPY (2.2 Å) | | Cite: | Structure of the actively translating plant 80S ribosome at 2.2 angstrom resolution.
Nat.Plants, 9, 2023
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8B3O
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8B3P
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8B3Q
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8B42
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8B4G
 | | Structure of a fungal LPMO bound to ligands | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACRYLIC ACID, CHLORIDE ION, ... | | Authors: | Banerjee, S, Huang, Z, Brander, S, Johansen, K.S, Lo Leggio, L. | | Deposit date: | 2022-09-20 | | Release date: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.496 Å) | | Cite: | Structure of a fungal LPMO bound to ligands
To Be Published
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8B4N
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8B5G
 | | C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH 7,8-dimethoxy-3-methyl-1,3-dihydro-2H-benzo[d]azepin-2-one | | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 7,8-dimethoxy-3-methyl-1~{H}-3-benzazepin-2-one, ... | | Authors: | Chung, C. | | Deposit date: | 2022-09-22 | | Release date: | 2022-11-30 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.619 Å) | | Cite: | Identification and Optimization of a Ligand-Efficient Benzoazepinone Bromodomain and Extra Terminal (BET) Family Acetyl-Lysine Mimetic into the Oral Candidate Quality Molecule I-BET432.
J.Med.Chem., 65, 2022
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8B5H
 | | C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH (R)-7-((R)-1,2-dihydroxyethyl)-1,3-dimethyl-5-(1-methyl-1H-pyrazol-4-yl)-1,3-dihydro-2H-benzo[d]azepin-2-one | | Descriptor: | (1~{R})-7-[(1~{R})-1,2-bis(oxidanyl)ethyl]-1,3-dimethyl-5-(1-methylpyrazol-4-yl)-1~{H}-3-benzazepin-2-one, 1,2-ETHANEDIOL, 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, ... | | Authors: | Chung, C. | | Deposit date: | 2022-09-22 | | Release date: | 2022-11-30 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.603 Å) | | Cite: | Identification and Optimization of a Ligand-Efficient Benzoazepinone Bromodomain and Extra Terminal (BET) Family Acetyl-Lysine Mimetic into the Oral Candidate Quality Molecule I-BET432.
J.Med.Chem., 65, 2022
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8B5I
 | | C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH 7,8-dimethoxy-1,3-dimethyl-1,3-dihydro-2H-benzo[d]azepin-2-one | | Descriptor: | (1~{R})-7,8-dimethoxy-1,3-dimethyl-1~{H}-3-benzazepin-2-one, 1,2-ETHANEDIOL, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, ... | | Authors: | Chung, C. | | Deposit date: | 2022-09-22 | | Release date: | 2022-11-30 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.604 Å) | | Cite: | Identification and Optimization of a Ligand-Efficient Benzoazepinone Bromodomain and Extra Terminal (BET) Family Acetyl-Lysine Mimetic into the Oral Candidate Quality Molecule I-BET432.
J.Med.Chem., 65, 2022
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8B5J
 | | C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH 7,8-dimethoxy-1,3-dimethyl-1,3-dihydro-2H-benzo[d]azepin-2-one | | Descriptor: | (5~{R})-7,8-dimethoxy-3,5-dimethyl-2,5-dihydro-1~{H}-3-benzazepin-4-one, 1,2-ETHANEDIOL, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, ... | | Authors: | Chung, C. | | Deposit date: | 2022-09-22 | | Release date: | 2022-11-30 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.603 Å) | | Cite: | Identification and Optimization of a Ligand-Efficient Benzoazepinone Bromodomain and Extra Terminal (BET) Family Acetyl-Lysine Mimetic into the Oral Candidate Quality Molecule I-BET432.
J.Med.Chem., 65, 2022
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8B5L
 | | Cryo-EM structure of ribosome-Sec61-TRAP (TRanslocon Associated Protein) translocon complex | | Descriptor: | 28S rRNA, 5.8S rRNA, 5S rRNA, ... | | Authors: | Pauwels, E, Shewakramani, N.R, De Wijngaert, B, Vermeire, K, Das, K. | | Deposit date: | 2022-09-23 | | Release date: | 2023-03-01 | | Last modified: | 2023-03-15 | | Method: | ELECTRON MICROSCOPY (2.86 Å) | | Cite: | Structural insights into TRAP association with ribosome-Sec61 complex and translocon inhibition by a CADA derivative.
Sci Adv, 9, 2023
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8B6C
 | | Cryo-EM structure of ribosome-Sec61 in complex with cyclotriazadisulfonamide derivative CK147 | | Descriptor: | 28S rRNA, 4-[[9-(cyclohexylmethyl)-3-methylidene-5-(4-methylphenyl)sulfonyl-1,5,9-triazacyclododec-1-yl]sulfonyl]-~{N},~{N}-dimethyl-aniline, 5.8S rRNA, ... | | Authors: | Pauwels, E, Shewakramani, N.R, De Wijngaert, B, Vermeire, K, Das, K. | | Deposit date: | 2022-09-26 | | Release date: | 2023-02-22 | | Last modified: | 2023-03-15 | | Method: | ELECTRON MICROSCOPY (2.79 Å) | | Cite: | Structural insights into TRAP association with ribosome-Sec61 complex and translocon inhibition by a CADA derivative.
Sci Adv, 9, 2023
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