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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8P6X
 | | Cryo-EM structure of CAK in complex with inhibitor BS-194 | | Descriptor: | (2S,3S)-3-{[7-(benzylamino)-3-(1-methylethyl)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 (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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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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7DJZ
 | | Crystal structure of SARS-CoV-2 Spike RBD in complex with MW01 Fab | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CITRIC ACID, MW01 heavy chain, ... | | Authors: | Wang, J, Jiao, S, Wang, R, Zhang, J, Zhang, M, Wang, M. | | Deposit date: | 2020-11-22 | | Release date: | 2021-06-09 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.397 Å) | | Cite: | Antibody-dependent enhancement (ADE) of SARS-CoV-2 pseudoviral infection requires Fc gamma RIIB and virus-antibody complex with bivalent interaction.
Commun Biol, 5, 2022
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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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8PB8
 | | PsiM in complex with SAH | | Descriptor: | CHLORIDE ION, HEXAETHYLENE GLYCOL, Psilocybin synthase, ... | | Authors: | Werten, S, Hudspeth, J, Rupp, B. | | Deposit date: | 2023-06-08 | | Release date: | 2024-04-03 | | Last modified: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (2.531 Å) | | Cite: | Methyl transfer in psilocybin biosynthesis.
Nat Commun, 15, 2024
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8P78
 | | Cryo-EM structure of CAK in complex with inhibitor dinaciclib | | Descriptor: | 3-[({3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl}amino)methyl]-1-hydroxypyridinium, 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 (1.9 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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6ZOP
 | | Structure of the cysteine-rich domain of PiggyMac, a domesticated PiggyBac transposase involved in programmed genome rearrangements | | Descriptor: | DDE_Tnp_1_7 domain-containing protein, ZINC ION | | Authors: | Bessa, L, Guerineau, M, Moriau, S, Lescop, E, Bontems, F, Mathy, N, Guittet, E, Bischerour, J, Betermier, M, Morellet, N. | | Deposit date: | 2020-07-07 | | Release date: | 2021-06-16 | | Last modified: | 2024-01-31 | | Method: | SOLUTION NMR | | Cite: | The unusual structure of the PiggyMac cysteine-rich domain reveals zinc finger diversity in PiggyBac-related transposases.
Mob DNA, 12, 2021
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8PB3
 | | PsiM in complex with SAH and norbaeocystin, monoclinic crystal form | | Descriptor: | CHLORIDE ION, MAGNESIUM ION, Norbaeocystin, ... | | Authors: | Werten, S, Hudspeth, J, Rupp, B. | | Deposit date: | 2023-06-08 | | Release date: | 2024-04-03 | | Last modified: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (1.18 Å) | | Cite: | Methyl transfer in psilocybin biosynthesis.
Nat Commun, 15, 2024
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8OS5
 | | Crystal structure of the Factor XII heavy chain reveals an interlocking dimer with a FnII to kringle domain interaction | | Descriptor: | Coagulation factor XII-Mie | | Authors: | Li, C, Saleem, M, Kaira, B.G, Brown, A, Wilson, C, Philippou, H, Emsley, J. | | Deposit date: | 2023-04-18 | | Release date: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Factor XII and kininogen asymmetric assembly with gC1qR/C1QBP/P32 is governed by allostery.
Blood, 136, 2020
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8OZO
 | | Populus tremula stable protein 1 with N-terminal binding peptide extension | | Descriptor: | Stable protein 1 | | Authors: | Sklyar, J, Zeibaq, Y, Bachar, O, Yehezkeli, O, Adir, N. | | Deposit date: | 2023-05-09 | | Release date: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | A Bioengineered Stable Protein 1-Hemin Complex with Enhanced Peroxidase-Like Catalytic Properties
Small Science, 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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7A8U
 | | Crystal structure of sarcomeric protein FATZ-1 (d91-FATZ-1 construct) in complex with rod domain of alpha-actinin-2 | | Descriptor: | Alpha-actinin-2, Myozenin-1 | | Authors: | Sponga, A, Arolas, J.L, Rodriguez Chamorro, A, Mlynek, G, Hollerl, E, Schreiner, C, Pedron, M, Kostan, J, Ribeiro, E.A, Djinovic-Carugo, K. | | Deposit date: | 2020-08-31 | | Release date: | 2021-06-30 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3.802 Å) | | Cite: | Order from disorder in the sarcomere: FATZ forms a fuzzy but tight complex and phase-separated condensates with alpha-actinin.
Sci Adv, 7, 2021
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7RZY
 | | CryoEM structure of Vibrio cholerae transposon Tn6677 AAA+ ATPase TnsC | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Tn6677 Vibrio cholerae transposon TnsC (VchTnsC) | | Authors: | Hoffmann, F.T, Kim, M, Beh, L.Y, Wang, J, Vo, P.L.H, Gelsinger, D.R, Acree, C, Mohabir, J.T, Fernandez, I.S, Sternberg, S.H. | | Deposit date: | 2021-08-28 | | Release date: | 2022-06-08 | | Last modified: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Selective TnsC recruitment enhances the fidelity of RNA-guided transposition.
Nature, 609, 2022
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6ZQK
 | | HER2-binding scFv-Fab fusion 841 | | Descriptor: | 1,2-ETHANEDIOL, 841 heavy chain, 841 light chain | | Authors: | Kast, F, Schwill, M, Stueber, J.C, Pfundstein, S, Nagy-Davidescu, G, Monne Rodriguez, J.M, Seehusen, F, Richter, C.P, Honegger, A, Hartmann, K.P, Weber, T.G, Kroener, F, Ernst, P, Piehler, J, Plueckthun, A. | | Deposit date: | 2020-07-09 | | Release date: | 2021-06-30 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Engineering an anti-HER2 biparatopic antibody with a multimodal mechanism of action.
Nat Commun, 12, 2021
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7SKW
 | | Ab initio structure of triclinic lysozyme from electron-counted MicroED data | | Descriptor: | Lysozyme C, NITRATE ION | | Authors: | Martynowycz, M.W, Clabbers, M.T.B, Hattne, J, Gonen, T. | | Deposit date: | 2021-10-21 | | Release date: | 2022-06-08 | | Last modified: | 2022-06-22 | | Method: | ELECTRON CRYSTALLOGRAPHY (0.87 Å) | | Cite: | Ab initio phasing macromolecular structures using electron-counted MicroED data.
Nat.Methods, 19, 2022
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8PB5
 | | PsiM in complex with sinefungin and norbaeocystin | | Descriptor: | CHLORIDE ION, Norbaeocystin, Psilocybin synthase, ... | | Authors: | Werten, S, Hudspeth, J, Rupp, B. | | Deposit date: | 2023-06-08 | | Release date: | 2024-04-03 | | Last modified: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (0.89 Å) | | Cite: | Methyl transfer in psilocybin biosynthesis.
Nat Commun, 15, 2024
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8P1R
 | | Bifidobacterium asteroides alpha-L-fucosidase (TT1819) catalytic mutant. | | Descriptor: | 1,2-ETHANEDIOL, Bifidobacterium asteroides alpha-L-fucosidase (TT1819) catalytic mutant, MAGNESIUM ION | | Authors: | Owen, C.D, Penner, M, Gascuena, A.N, Wu, H, Hernando, P.J, Monaco, S, Le Gall, G, Gardner, R, Ndeh, D, Urbanowicz, P.A, Spencer, D.I.R, Walsh, M.A, Angulo, J, Juge, N. | | Deposit date: | 2023-05-12 | | Release date: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.659 Å) | | Cite: | Exploring sequence, structure and function of microbial fucosidases from glycoside hydrolase GH29 family
To Be Published
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7SKX
 | | Ab initio structure of proteinase K from electron-counted MicroED data | | Descriptor: | 5-amino-2,4,6-triiodobenzene-1,3-dicarboxylic acid, CALCIUM ION, Proteinase K | | Authors: | Martynowycz, M.W, Clabbers, M.T.B, Hattne, J, Gonen, T. | | Deposit date: | 2021-10-21 | | Release date: | 2022-06-08 | | Last modified: | 2022-06-22 | | Method: | ELECTRON CRYSTALLOGRAPHY (1.5 Å) | | Cite: | Ab initio phasing macromolecular structures using electron-counted MicroED data.
Nat.Methods, 19, 2022
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6UIW
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7A8T
 | | Crystal structure of sarcomeric protein FATZ-1 (mini-FATZ-1 construct) in complex with rod domain of alpha-actinin-2 | | Descriptor: | Alpha-actinin-2, Myozenin-1 | | Authors: | Sponga, A, Arolas, J.L, Rodriguez Chamorro, A, Mlynek, G, Hollerl, E, Schreiner, C, Pedron, M, Kostan, J, Ribeiro, E.A, Djinovic-Carugo, K. | | Deposit date: | 2020-08-31 | | Release date: | 2021-06-30 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.69 Å) | | Cite: | Order from disorder in the sarcomere: FATZ forms a fuzzy but tight complex and phase-separated condensates with alpha-actinin.
Sci Adv, 7, 2021
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6ZWX
 | | Crystal structure of E. coli RNA helicase HrpA | | Descriptor: | ATP-dependent RNA helicase HrpA | | Authors: | Grass, L.M, Wollenhaupt, J, Barthel, T, Loll, B, Wahl, M.C. | | Deposit date: | 2020-07-29 | | Release date: | 2021-06-30 | | Last modified: | 2021-08-04 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Large-scale ratcheting in a bacterial DEAH/RHA-type RNA helicase that modulates antibiotics susceptibility.
Proc.Natl.Acad.Sci.USA, 118, 2021
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8PB7
 | | PsiM in complex with sinefungin and baeocystin | | Descriptor: | Baeocystin, CHLORIDE ION, Psilocybin synthase, ... | | Authors: | Werten, S, Hudspeth, J, Rupp, B. | | Deposit date: | 2023-06-08 | | Release date: | 2024-04-03 | | Last modified: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (0.92 Å) | | Cite: | Methyl transfer in psilocybin biosynthesis.
Nat Commun, 15, 2024
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6ZWW
 | | Crystal structure of E. coli RNA helicase HrpA in complex with RNA | | Descriptor: | ATP-dependent RNA helicase HrpA, CALCIUM ION, ssRNA | | Authors: | Grass, L.M, Wollenhaupt, J, Barthel, T, Loll, B, Wahl, M.C. | | Deposit date: | 2020-07-29 | | Release date: | 2021-06-30 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3.16 Å) | | Cite: | Large-scale ratcheting in a bacterial DEAH/RHA-type RNA helicase that modulates antibiotics susceptibility.
Proc.Natl.Acad.Sci.USA, 118, 2021
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8OZ4
 | | Populus tremula stable protein 1 with an alternate crystal lattice | | Descriptor: | Stable protein 1 | | Authors: | Sklyar, J, Zeibaq, Y, Bachar, O, Yehezkeli, O, Adir, N. | | Deposit date: | 2023-05-08 | | Release date: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | A Bioengineered Stable Protein 1-Hemin Complex with Enhanced Peroxidase-Like Catalytic Properties
Small Science, 2024
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