8P7T
 
 | | The impact of molecular variants, crystallization conditions and space group on structure-ligand complexes: A case study on Bacterial Phosphotriesterase Variants and complexes | | Descriptor: | 1-ethyl-1-methyl-cyclohexane, FORMIC ACID, GLYCEROL, ... | | Authors: | Dym, O, Aggarwal, N, Ashani, Y, Albeck, S, Unger, T, Hamer Rogotner, S, Silman, I, Sussman, J.L. | | Deposit date: | 2023-05-31 | | Release date: | 2023-10-25 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The impact of molecular variants, crystallization conditions and the space group on ligand-protein complexes: a case study on bacterial phosphotriesterase.
Acta Crystallogr D Struct Biol, 79, 2023
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8P7R
 | | The impact of molecular variants, crystallization conditions and space group on structure-ligand complexes: A case study on Bacterial Phosphotriesterase Variants and complexes | | Descriptor: | 1-ethyl-1-methyl-cyclohexane, FORMIC ACID, GLYCEROL, ... | | Authors: | Dym, O, Aggarwal, N, Ashani, Y, Albeck, S, Unger, T, Hamer Rogotner, S, Silman, I, Sussman, J.L. | | Deposit date: | 2023-05-30 | | Release date: | 2023-10-25 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | The impact of molecular variants, crystallization conditions and the space group on ligand-protein complexes: a case study on bacterial phosphotriesterase.
Acta Crystallogr D Struct Biol, 79, 2023
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8P7Q
 | | The impact of molecular variants, crystallization conditions and space group on structure-ligand complexes: A case study on Bacterial Phosphotriesterase Variants and complexes | | Descriptor: | 1-ethyl-1-methyl-cyclohexane, FORMIC ACID, GLYCEROL, ... | | Authors: | Dym, O, Aggarwal, N, Ashani, Y, Albeck, S, Unger, T, Hamer Rogotner, S, Silman, I, Sussman, J.L. | | Deposit date: | 2023-05-30 | | Release date: | 2023-10-25 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | The impact of molecular variants, crystallization conditions and the space group on ligand-protein complexes: a case study on bacterial phosphotriesterase.
Acta Crystallogr D Struct Biol, 79, 2023
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8P7P
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8P7O
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8P7M
 | | The impact of molecular variants, crystallization conditions and space group on structure-ligand complexes: A case study on Bacterial Phosphotriesterase Variants and complexes | | Descriptor: | FORMIC ACID, GLYCEROL, METHYLPHOSPHONIC ACID ESTER GROUP, ... | | Authors: | Dym, O, Aggarwal, N, Ashani, Y, Albeck, S, Unger, T, Hamer Rogotner, S, Silman, I, Sussman, J.L. | | Deposit date: | 2023-05-30 | | Release date: | 2023-10-25 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | The impact of molecular variants, crystallization conditions and the space group on ligand-protein complexes: a case study on bacterial phosphotriesterase.
Acta Crystallogr D Struct Biol, 79, 2023
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8P7L
 | | Cryo-EM structure of CDK7 subunit of CAK in complex with inhibitor LDC4297 | | Descriptor: | 2-[(3S)-piperidin-3-yl]oxy-8-propan-2-yl-N-[(2-pyrazol-1-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine, CDK-activating kinase assembly factor MAT1, Cyclin-dependent kinase 7 | | Authors: | Cushing, V.I, Koh, A.F, Feng, J, Jurgaityte, K, Bahl, A.K, Ali, S, Kotecha, A, Greber, B.J. | | Deposit date: | 2023-05-30 | | Release date: | 2024-03-20 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (2.1 Å) | | Cite: | High-resolution cryo-EM of the human CDK-activating kinase for structure-based drug design.
Nat Commun, 15, 2024
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8P7H
 | | The impact of molecular variants, crystallization conditions and space group on structure-ligand complexes: A case study on Bacterial Phosphotriesterase Variants and complexes | | Descriptor: | 1,2-ETHANEDIOL, 2-methylidene-1,3-dioxane-4,4-diol, FORMIC ACID, ... | | Authors: | Dym, O, Aggarwal, N, Ashani, Y, Albeck, S, Unger, T, Hamer Rogotner, S, Silman, I, Sussman, J.L. | | Deposit date: | 2023-05-30 | | Release date: | 2023-10-25 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.774 Å) | | Cite: | The impact of molecular variants, crystallization conditions and the space group on ligand-protein complexes: a case study on bacterial phosphotriesterase.
Acta Crystallogr D Struct Biol, 79, 2023
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8P7G
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8P77
 | | Cryo-EM structure of CAK in complex with inhibitor ICEC0943 | | Descriptor: | (3S,4S)-4-[[[7-[(phenylmethyl)amino]-3-propan-2-yl-pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol, CDK-activating kinase assembly factor MAT1, Cyclin-H, ... | | Authors: | Cushing, V.I, Koh, A.F, Feng, J, Jurgaityte, K, Bahl, A.K, Ali, S, Kotecha, A, Greber, B.J. | | Deposit date: | 2023-05-30 | | Release date: | 2024-03-20 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (1.8 Å) | | Cite: | High-resolution cryo-EM of the human CDK-activating kinase for structure-based drug design.
Nat Commun, 15, 2024
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8P76
 | | Cryo-EM structure of CAK in complex with inhibitor ICEC0914 | | Descriptor: | CDK-activating kinase assembly factor MAT1, Cyclin-H, Cyclin-dependent kinase 7, ... | | Authors: | Cushing, V.I, Koh, A.F, Feng, J, Jurgaityte, K, Bahl, A.K, Ali, S, Kotecha, A, Greber, B.J. | | Deposit date: | 2023-05-30 | | Release date: | 2024-03-20 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (2 Å) | | Cite: | High-resolution cryo-EM of the human CDK-activating kinase for structure-based drug design.
Nat Commun, 15, 2024
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8P75
 | | Cryo-EM structure of CAK in complex with inhibitor ICEC0880 (ring-down conformation) | | Descriptor: | (2S,3S)-3-[[7-[(2-bromophenyl)methylamino]-3-propan-2-yl-pyrazolo[1,5-a]pyrimidin-5-yl]amino]butane-1,2,4-triol, CDK-activating kinase assembly factor MAT1, Cyclin-H, ... | | Authors: | Cushing, V.I, Koh, A.F, Feng, J, Jurgaityte, K, Bahl, A.K, Ali, S, Kotecha, A, Greber, B.J. | | Deposit date: | 2023-05-30 | | Release date: | 2024-03-20 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (2 Å) | | Cite: | High-resolution cryo-EM of the human CDK-activating kinase for structure-based drug design.
Nat Commun, 15, 2024
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8P74
 | | Cryo-EM structure of CAK in complex with inhibitor ICEC0880 (ring-up conformation) | | Descriptor: | (2S,3S)-3-[[7-[(2-bromophenyl)methylamino]-3-propan-2-yl-pyrazolo[1,5-a]pyrimidin-5-yl]amino]butane-1,2,4-triol, CDK-activating kinase assembly factor MAT1, Cyclin-H, ... | | Authors: | Cushing, V.I, Koh, A.F, Feng, J, Jurgaityte, K, Bahl, A.K, Ali, S, Kotecha, A, Greber, B.J. | | Deposit date: | 2023-05-30 | | Release date: | 2024-03-20 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (2.2 Å) | | Cite: | High-resolution cryo-EM of the human CDK-activating kinase for structure-based drug design.
Nat Commun, 15, 2024
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8P73
 | | Cryo-EM structure of CAK in complex with inhibitor ICEC0829 | | Descriptor: | (3R,4R)-4-[[[7-[(phenylmethyl)amino]-3-propan-2-yl-pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidine-3,4-diol, (3S,4S)-4-[[[7-[(phenylmethyl)amino]-3-propan-2-yl-pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidine-3,4-diol, CDK-activating kinase assembly factor MAT1, ... | | Authors: | Cushing, V.I, Koh, A.F, Feng, J, Jurgaityte, K, Bahl, A.K, Ali, S, Kotecha, A, Greber, B.J. | | Deposit date: | 2023-05-30 | | Release date: | 2024-03-20 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (2 Å) | | Cite: | High-resolution cryo-EM of the human CDK-activating kinase for structure-based drug design.
Nat Commun, 15, 2024
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8P72
 | | Cryo-EM structure of CAK in complex with inhibitor ICEC0768 | | Descriptor: | CDK-activating kinase assembly factor MAT1, Cyclin-H, Cyclin-dependent kinase 7, ... | | Authors: | Cushing, V.I, Koh, A.F, Feng, J, Jurgaityte, K, Bahl, A.K, Ali, S, Kotecha, A, Greber, B.J. | | Deposit date: | 2023-05-30 | | Release date: | 2024-03-20 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (1.9 Å) | | Cite: | High-resolution cryo-EM of the human CDK-activating kinase for structure-based drug design.
Nat Commun, 15, 2024
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8P71
 | | Cryo-EM structure of CAK in complex with inhibitor ICEC0574 | | Descriptor: | (3R,4S)-4-[[7-[(phenylmethyl)amino]-3-propan-2-yl-pyrazolo[1,5-a]pyrimidin-5-yl]amino]pyrrolidin-3-ol, CDK-activating kinase assembly factor MAT1, Cyclin-H, ... | | Authors: | Cushing, V.I, Koh, A.F, Feng, J, Jurgaityte, K, Bahl, A.K, Ali, S, Kotecha, A, Greber, B.J. | | Deposit date: | 2023-05-30 | | Release date: | 2024-03-20 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (2 Å) | | Cite: | High-resolution cryo-EM of the human CDK-activating kinase for structure-based drug design.
Nat Commun, 15, 2024
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8P70
 | | Cryo-EM structure of CAK in complex with inhibitor ICEC0510-S | | Descriptor: | CDK-activating kinase assembly factor MAT1, Cyclin-H, Cyclin-dependent kinase 7, ... | | Authors: | Cushing, V.I, Koh, A.F, Feng, J, Jurgaityte, K, Bahl, A.K, Ali, S, Kotecha, A, Greber, B.J. | | Deposit date: | 2023-05-30 | | Release date: | 2024-03-20 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (2 Å) | | Cite: | High-resolution cryo-EM of the human CDK-activating kinase for structure-based drug design.
Nat Commun, 15, 2024
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8P6Z
 | | Cryo-EM structure of CAK in complex with inhibitor ICEC0510-R | | Descriptor: | CDK-activating kinase assembly factor MAT1, Cyclin-H, Cyclin-dependent kinase 7, ... | | Authors: | Cushing, V.I, Koh, A.F, Feng, J, Jurgaityte, K, Bahl, A.K, Ali, S, Kotecha, A, Greber, B.J. | | Deposit date: | 2023-05-30 | | Release date: | 2024-03-20 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (2.1 Å) | | Cite: | High-resolution cryo-EM of the human CDK-activating kinase for structure-based drug design.
Nat Commun, 15, 2024
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8P6W
 | | Cryo-EM structure of CAK in complex with inhibitor BS-181 | | Descriptor: | CDK-activating kinase assembly factor MAT1, Cyclin-H, Cyclin-dependent kinase 7, ... | | Authors: | Cushing, V.I, Koh, A.F, Feng, J, Jurgaityte, K, Bahl, A.K, Ali, S, Kotecha, A, Greber, B.J. | | Deposit date: | 2023-05-30 | | Release date: | 2024-03-20 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (1.9 Å) | | Cite: | High-resolution cryo-EM of the human CDK-activating kinase for structure-based drug design.
Nat Commun, 15, 2024
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8P6V
 | | Cryo-EM structure of CAK in complex with inhibitor ICEC0942 | | Descriptor: | (3R,4R)-4-[[[7-[(phenylmethyl)amino]-3-propan-2-yl-pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol, CDK-activating kinase assembly factor MAT1, Cyclin-H, ... | | Authors: | Cushing, V.I, Koh, A.F, Feng, J, Jurgaityte, K, Bahl, A.K, Ali, S, Kotecha, A, Greber, B.J. | | Deposit date: | 2023-05-30 | | Release date: | 2023-08-30 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (1.9 Å) | | Cite: | High-resolution cryo-EM of the human CDK-activating kinase for structure-based drug design.
Nat Commun, 15, 2024
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8P6G
 | | Crystal structure of the improved version of the Genetically Encoded Green Calcium Indicator YTnC2-5 | | Descriptor: | DI(HYDROXYETHYL)ETHER, Genetically Encoded Green Calcium Indicator YTnC2-5 based on Troponin C from toadfish | | Authors: | Boyko, K.M, Nikolaeva, A.Y, Subach, O.M, Vlaskina, A.V, Agapova, Y.K, Popov, V.O, Subach, F.V. | | Deposit date: | 2023-05-26 | | Release date: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | YTnC2, an improved genetically encoded green calcium indicator based on toadfish troponin C.
Febs Open Bio, 13, 2023
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8P6F
 | | Crystal structure of PorX-Fj | | Descriptor: | ACETATE ION, MAGNESIUM ION, Response regulator receiver domain-containing protein, ... | | Authors: | Leone, P. | | Deposit date: | 2023-05-26 | | Release date: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure-function analysis of PorX Fj , the PorX homolog from Flavobacterium johnsioniae, suggests a role of the CheY-like domain in type IX secretion motor activity.
Sci Rep, 14, 2024
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8P61
 | | Crystal structure of O'nyong'nyong virus capsid protease (106-256) | | Descriptor: | Capsid protein, GLYCEROL, SULFATE ION | | Authors: | Plewka, J, Chykunova, Y, Wilk, P, Sienczyk, M, Dubin, G, Pyrc, K. | | Deposit date: | 2023-05-24 | | Release date: | 2024-03-06 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Autoinhibition of suicidal capsid protease from O'nyong'nyong virus.
Int.J.Biol.Macromol., 262, 2024
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8P5Z
 | | Artificial transfer hydrogenase with a Mn-5 cofactor and Streptavidin S112Y-K121M mutant | | Descriptor: | 5-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]-~{N}-[2-[(5-methylpyridin-2-yl)methylamino]ethyl]pentanamide, BROMIDE ION, GLYCEROL, ... | | Authors: | Lau, K, Wang, W, Pojer, F, Larabi, A. | | Deposit date: | 2023-05-24 | | Release date: | 2023-09-13 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | Manganese Transfer Hydrogenases Based on the Biotin-Streptavidin Technology.
Angew.Chem.Int.Ed.Engl., 62, 2023
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8P5P
 | | Structure of TECPR1 N-terminal DysF domain | | Descriptor: | GLYCEROL, Tectonin beta-propeller repeat-containing protein 1 | | Authors: | Boyle, K.B, Elliott, P.R, Randow, F. | | Deposit date: | 2023-05-24 | | Release date: | 2023-07-19 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | TECPR1 conjugates LC3 to damaged endomembranes upon detection of sphingomyelin exposure.
Embo J., 42, 2023
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