8VR3
 
 | | crystal structure of the Pcryo_0618 aminotransferase from Psychrobacter cryohalolentis K5 in the presence of its internal aldimine | | Descriptor: | 1,2-ETHANEDIOL, 2,2'-(1,4-diazepane-1,4-diyl)di(ethane-1-sulfonic acid), CHLORIDE ION, ... | | Authors: | Bockhaus, N.J, Thoden, J.B, Holden, H.M. | | Deposit date: | 2024-01-20 | | Release date: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Biochemical Investigation of the Enzymes Required for the Production of 2,3,4-triacetoamido-2,3,4-trideoxy-l-arabinose in Psychrobacter cryohalolentis K5
To Be Published
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6OMS
 | | Arabidopsis GH3.12 with Chorismate | | Descriptor: | (3R,4R)-3-[(1-carboxyethenyl)oxy]-4-hydroxycyclohexa-1,5-diene-1-carboxylic acid, 4-substituted benzoates-glutamate ligase GH3.12, ADENOSINE MONOPHOSPHATE | | Authors: | Zubieta, C, Westfall, C.S, Holland, C.K, Jez, J.M. | | Deposit date: | 2019-04-19 | | Release date: | 2019-10-09 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.942 Å) | | Cite: | Brassicaceae-specific Gretchen Hagen 3 acyl acid amido synthetases conjugate amino acids to chorismate, a precursor of aromatic amino acids and salicylic acid.
J.Biol.Chem., 294, 2019
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6HKC
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8VR5
 | | crystal structure of the Pcryo_0618 aminotransferase from Psychrobacter cryohalolentis K5 in the presence of PMP and glutamate | | Descriptor: | 1,2-ETHANEDIOL, 2,2'-(1,4-diazepane-1,4-diyl)di(ethane-1-sulfonic acid), 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, ... | | Authors: | Bockhaus, N.J, Thoden, J.B, Holden, H.M. | | Deposit date: | 2024-01-20 | | Release date: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Biochemical Investigation of the Enzymes Required for the Production of 2,3,4-triacetoamido-2,3,4-trideoxy-l-arabinose in Psychrobacter cryohalolentis K5
To Be Published
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6BLH
 | | RSV G central conserved region bound to Fab CB017.5 | | Descriptor: | 1,2-ETHANEDIOL, Fab CB017.5 heavy chain, Fab CB017.5 light chain, ... | | Authors: | Jones, H.G, McLellan, J.S, Langedijk, J.P. | | Deposit date: | 2017-11-10 | | Release date: | 2018-02-28 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural basis for recognition of the central conserved region of RSV G by neutralizing human antibodies.
PLoS Pathog., 14, 2018
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8B68
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8A66
 | | Crystal structure of MST2 in complex with XMU-MP-1 | | Descriptor: | 4-[(5,10-dimethyl-6-oxo-6,10-dihydro-5H-pyrimido[5,4-b]thieno[3,2-e][1,4]diazepin-2-yl)amino]benzenesulfonamide, SODIUM ION, Serine/threonine-protein kinase 3 36kDa subunit | | Authors: | Nawrotek, A, Vuillard, L, Miallau, L, Weber, C. | | Deposit date: | 2022-06-16 | | Release date: | 2022-07-20 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.901 Å) | | Cite: | Crystal structure of the Kelch domain of human Keap1in complex with ligand S217879
To Be Published
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5KON
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4RZF
 | | Crystal Structure Analysis of the NUR77 Ligand Binding Domain, S441W mutant | | Descriptor: | GLYCEROL, Nuclear receptor subfamily 4 group A member 1 | | Authors: | Li, F, Tian, X, Li, A, Li, L, Liu, Y, Chen, H, Wu, Q, Lin, T. | | Deposit date: | 2014-12-21 | | Release date: | 2015-03-18 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Impeding the interaction between Nur77 and p38 reduces LPS-induced inflammation.
Nat.Chem.Biol., 11, 2015
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5NL1
 | | Shigella IpaA-VBS3/TBS in complex with the Talin VBS1 domain 488-512 | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Invasin IpaA, ... | | Authors: | Bou-Nader, C, Pecqueur, L, Valencia-Gallardo, C, Fontecave, M, Tran Van Nhieu, G. | | Deposit date: | 2017-04-03 | | Release date: | 2018-05-16 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Shigella IpaA Binding to Talin Stimulates Filopodial Capture and Cell Adhesion.
Cell Rep, 26, 2019
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7RHJ
 | | Cryo-EM structure of human rod CNGA1/B1 channel in L-cis-Diltiazem-blocked open state | | Descriptor: | (2R,3R)-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate, CYCLIC GUANOSINE MONOPHOSPHATE, Cyclic nucleotide-gated cation channel beta-1, ... | | Authors: | Xue, J, Han, Y, Jiang, Y. | | Deposit date: | 2021-07-17 | | Release date: | 2021-11-03 | | Last modified: | 2025-05-14 | | Method: | ELECTRON MICROSCOPY (2.88 Å) | | Cite: | Structural mechanisms of assembly, permeation, gating, and pharmacology of native human rod CNG channel.
Neuron, 110, 2022
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6HBC
 | | Structure of the repeat unit in the network formed by CcmM and Rubisco from Synechococcus elongatus | | Descriptor: | Carbon dioxide concentrating mechanism protein CcmM, Ribulose 1,5-bisphosphate carboxylase small subunit, Ribulose bisphosphate carboxylase large chain | | Authors: | Wang, H, Yan, X, Aigner, H, Bracher, A, Nguyen, N.D, Hee, W.Y, Long, B.M, Price, G.D, Hartl, F.U, Hayer-Hartl, M. | | Deposit date: | 2018-08-10 | | Release date: | 2018-12-12 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (2.78 Å) | | Cite: | Rubisco condensate formation by CcmM in beta-carboxysome biogenesis.
Nature, 566, 2019
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8EIS
 | | Cryo-EM structure of octopus sensory receptor CRT1 | | Descriptor: | 2-[2-[(1~{S},2~{S},4~{S},5'~{R},6~{R},7~{S},8~{R},9~{S},12~{S},13~{R},16~{S})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-ene-6,2'-oxane]-16-yl]oxyethyl]propane-1,3-diol, 2-acetamido-2-deoxy-beta-D-glucopyranose, Octopus sensory receptor | | Authors: | Kang, G, Kim, J.J, Allard, C.A.H, Valencia-Montoya, W.A, Bellono, N.W, Hibbs, R.E. | | Deposit date: | 2022-09-15 | | Release date: | 2023-04-12 | | Last modified: | 2025-07-23 | | Method: | ELECTRON MICROSCOPY (2.62 Å) | | Cite: | Structural basis of sensory receptor evolution in octopus.
Nature, 616, 2023
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7RMH
 | | Substance P bound to active human neurokinin 1 receptor in complex with miniGs399 | | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ... | | Authors: | Harris, J.A, Faust, B, Gondin, A.B, Daemgen, M.A, Suomivuori, C.M, Veldhuis, N.A, Cheng, Y, Dror, R.O, Thal, D, Manglik, A. | | Deposit date: | 2021-07-27 | | Release date: | 2021-11-03 | | Last modified: | 2024-11-20 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Selective G protein signaling driven by substance P-neurokinin receptor dynamics.
Nat.Chem.Biol., 18, 2022
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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: | 2024-11-20 | | 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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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: | 2024-11-06 | | 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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7RHK
 | | Cryo-EM structure of human rod CNGA1/B1 channel in L-cis-Diltiazem-trapped closed state | | Descriptor: | (2R,3R)-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate, CYCLIC GUANOSINE MONOPHOSPHATE, Cyclic nucleotide-gated cation channel beta-1, ... | | Authors: | Xue, J, Han, Y, Jiang, Y. | | Deposit date: | 2021-07-17 | | Release date: | 2021-11-03 | | Last modified: | 2025-06-04 | | Method: | ELECTRON MICROSCOPY (3.27 Å) | | Cite: | Structural mechanisms of assembly, permeation, gating, and pharmacology of native human rod CNG channel.
Neuron, 110, 2022
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8B6D
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6P1B
 | | Transcription antitermination factor Q21 | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Q protein | | Authors: | Yin, Z, Ebright, R.H. | | Deposit date: | 2019-05-19 | | Release date: | 2019-06-26 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.942 Å) | | Cite: | Structural basis of Q-dependent antitermination.
Proc.Natl.Acad.Sci.USA, 116, 2019
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6ZED
 | | CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX with compound F1 | | Descriptor: | 1,2-ETHANEDIOL, 4,5-dimethyl-1~{H}-pyrazolo[3,4-c]pyridazin-3-amine, Bromodomain-containing protein 4 | | Authors: | Krojer, T, Martinez-Cartro, M, Picaud, S, Filippakopoulos, P, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Barril, X, von Delft, F, Structural Genomics Consortium (SGC) | | Deposit date: | 2020-06-16 | | Release date: | 2020-07-29 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.08 Å) | | Cite: | CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX with compound F1
To Be Published
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7ZY8
 | | Crystal structure of compound 2 bound to CK2alpha | | Descriptor: | 3-[3,5-bis(chloranyl)phenyl]propan-1-amine, ACETATE ION, Casein kinase II subunit alpha, ... | | Authors: | Brear, P, Fusco, C, Atkinson, E, Rossmann, M, Francis, N, Iegre, J, Hyvonen, M, Spring, D. | | Deposit date: | 2022-05-24 | | Release date: | 2022-10-12 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | A fragment-based approach leading to the discovery of inhibitors of CK2 alpha with a novel mechanism of action.
Rsc Med Chem, 13, 2022
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6O8U
 | | Crystal structure of IRAK4 in complex with compound 23 | | Descriptor: | GLYCEROL, Interleukin-1 receptor-associated kinase 4, N-[2,2-dimethyl-6-(morpholin-4-yl)-2,3-dihydro-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide, ... | | Authors: | Kiefer, J.R, Yu, C, Drobnick, J, Bryan, M.C, Lupardus, P.J. | | Deposit date: | 2019-03-12 | | Release date: | 2019-05-22 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Development of Potent and Selective Pyrazolopyrimidine IRAK4 Inhibitors.
J.Med.Chem., 62, 2019
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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: | 2024-10-16 | | 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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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: | 2024-11-13 | | 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: | 2024-11-13 | | 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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