6Y4T
 
 | | Crystal structure of p38 in complex with SR63. | | Descriptor: | 1,2-ETHANEDIOL, 5-azanyl-~{N}-[[4-[[(2~{S})-1-[[(2~{S})-butan-2-yl]amino]-4-cyclohexyl-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide, Mitogen-activated protein kinase 14 | | Authors: | Chaikuad, A, Roehm, S, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2020-02-23 | | Release date: | 2020-03-04 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Selective targeting of the alpha C and DFG-out pocket in p38 MAPK.
Eur.J.Med.Chem., 208, 2020
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6Y53
 | | human 17S U2 snRNP low resolution part | | Descriptor: | HIV Tat-specific factor 1, Probable ATP-dependent RNA helicase DDX46, Small nuclear ribonucleoprotein E, ... | | Authors: | Zhang, Z, Will, C.L, Bertram, K, Luehrmann, R, Stark, H. | | Deposit date: | 2020-02-24 | | Release date: | 2020-06-17 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (7.1 Å) | | Cite: | Molecular architecture of the human 17S U2 snRNP.
Nature, 583, 2020
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8H59
 | | A fungal MAP kinase in complex with an inhibitor | | Descriptor: | Mitogen-activated protein kinase MPS1, ~{N}-[(2~{S})-3-(1~{H}-indol-3-yl)-1-(methylamino)-1-oxidanylidene-propan-2-yl]-8-[2-methoxy-5-(trifluoromethyloxy)phenyl]-1,6-naphthyridine-2-carboxamide | | Authors: | Kong, Z, Zhang, X, Wang, D, Liu, J. | | Deposit date: | 2022-10-12 | | Release date: | 2023-02-08 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Structure-Aided Identification of an Inhibitor Targets Mps1 for the Management of Plant-Pathogenic Fungi.
Mbio, 14, 2023
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7RMI
 | | SP6-11 biased agonist bound to active human neurokinin 1 receptor in complex with miniGs/q70 | | 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: | 2024-11-13 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Selective G protein signaling driven by substance P-neurokinin receptor dynamics.
Nat.Chem.Biol., 18, 2022
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7RMG
 | | Substance P bound to active human neurokinin 1 receptor in complex with miniGs/q70 | | 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: | 2024-11-06 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Selective G protein signaling driven by substance P-neurokinin receptor dynamics.
Nat.Chem.Biol., 18, 2022
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9LVV
 | | Crystal structure of SARS-CoV-2 3CL protease in complex with compound 17 (S-892216) | | Descriptor: | 1-(2-azanylideneethyl)-6-[6,6-bis(fluoranyl)-2-azaspiro[3.3]heptan-2-yl]-5-(3-chloranyl-4-fluoranyl-phenyl)-3-(5-chloranylpyridin-3-yl)pyrimidine-2,4-dione, 3C-like proteinase | | Authors: | Unoh, Y, Hirai, K, Uehara, S, Kawashima, S, Nobori, H, Sato, J, Shibayama, H, Hori, A, Nakahara, K, Kurahashi, K, Takamatsu, M, Yamamoto, S, Zhang, O, Tanimura, M, Dodo, R, Maruyama, Y, Sawa, H, Watari, R, Miyano, T, Kato, T, Sato, T, Tachibana, Y. | | Deposit date: | 2025-02-12 | | Release date: | 2025-05-14 | | Last modified: | 2025-11-05 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Discovery of the Clinical Candidate S-892216 : A Second-Generation of SARS-CoV-2 3CL Protease Inhibitor for Treating COVID-19.
J.Med.Chem., 68, 2025
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7ZY0
 | | Crystal structure of compound 7 bound to CK2alpha | | Descriptor: | 2-(5-bromanyl-1~{H}-indol-3-yl)ethanenitrile, ADENOSINE-5'-DIPHOSPHATE, Casein kinase II subunit alpha | | Authors: | Brear, P, Fusco, C, Atkinson, E, Rossmann, M, Francis, N, Iegre, J, Hyvonen, M, Spring, D. | | Deposit date: | 2022-05-23 | | Release date: | 2022-10-12 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.44 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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5LS7
 | | Complex of wild type E. coli alpha aspartate decarboxylase with its processing factor PanZ | | Descriptor: | ACETYL COENZYME *A, Aspartate 1-decarboxylase, CARBON DIOXIDE, ... | | Authors: | Monteiro, D.C.F, Webb, M.E, Pearson, A.R. | | Deposit date: | 2016-08-22 | | Release date: | 2017-09-13 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.16 Å) | | Cite: | The Mechanism of Regulation of Pantothenate Biosynthesis by the PanD-PanZAcCoA Complex Reveals an Additional Mode of Action for the Antimetabolite N-Pentyl Pantothenamide (N5-Pan).
Biochemistry, 56, 2017
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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: | 2024-11-06 | | 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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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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8H7B
 | | The crystal structure of human mcl1 kinase domain in complex with MCL1-M-EBA | | Descriptor: | 7-[3-(isoquinolin-7-yloxymethyl)-1,5-dimethyl-pyrazol-4-yl]-3-(3-naphthalen-1-yloxypropyl)-1H-indole-2-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | | Authors: | Zhu, C.J, Zhang, Z.M. | | Deposit date: | 2022-10-19 | | Release date: | 2023-02-22 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.46408451 Å) | | Cite: | 2-Ethynylbenzaldehyde-Based, Lysine-Targeting Irreversible Covalent Inhibitors for Protein Kinases and Nonkinases.
J.Am.Chem.Soc., 2023
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6P4D
 | | Hen egg lysozyme (HEL) containing three point mutations (HEL3x): R21Q, R73E, and D101R | | Descriptor: | CHLORIDE ION, GLYCEROL, Lysozyme C, ... | | Authors: | Langley, D.B, Christ, D. | | Deposit date: | 2019-05-27 | | Release date: | 2020-05-27 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | Conformational diversity facilitates antibody mutation trajectories and discrimination between foreign and self-antigens.
Proc.Natl.Acad.Sci.USA, 117, 2020
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6RU4
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8OU2
 | | Crystal structure of the bromodomain of human Bromodomain and PHD finger-containing Transcription Factor (BPTF) bound to a potent inhibitor | | Descriptor: | 1,2-ETHANEDIOL, 7-(1-cyclopropylpyrazol-4-yl)-2-[[2-fluoranyl-4-(4-methylpiperazin-1-yl)sulfonyl-phenyl]amino]-3-methyl-pyrido[1,2-a]pyrimidin-4-one, DIMETHYL SULFOXIDE, ... | | Authors: | Balikci, E, Ni, X, Bountra, C, von Delft, F, Huber, K. | | Deposit date: | 2023-04-21 | | Release date: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal structure of the bromodomain of human Bromodomain and PHD finger-containing Transcription Factor (BPTF) bound to a potent inhibitor
To Be Published
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8X6L
 | | PRMT5:MEP50 WITH SCR-6920 AND SAM | | Descriptor: | 1-ethyl-8-[(2-methoxy-7-azaspiro[3.5]nonan-7-yl)carbonyl]-4-[2-oxidanylidene-2-[(3~{S})-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]-2,3-dihydro-1,4-benzodiazepin-5-one, GLYCEROL, Methylosome protein WDR77, ... | | Authors: | Zhou, F, Zhou, F. | | Deposit date: | 2023-11-21 | | Release date: | 2025-02-26 | | Method: | ELECTRON MICROSCOPY (3.16 Å) | | Cite: | PRMT5:MEP50 WITH SCR-6920 AND SAM
To Be Published
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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: | 2024-10-09 | | 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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9N1U
 | | High-resolution crystal structure of 2,3-diamino propanoic acid bound adenylation domain (A3) from Sulfazecin nonribosomal peptide synthetase SulM | | Descriptor: | 1,2-ETHANEDIOL, DIAMINOPROPANOIC ACID, Non-ribosomal peptide synthetase | | Authors: | Patel, K.D, Gulick, A.M. | | Deposit date: | 2025-01-27 | | Release date: | 2025-05-28 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | l-2,3-Diaminopropionate Binding Mode of the SulM Adenylation Domain Limits Engineering Monobactam Analogue Biosynthesis with Larger Substrates.
Jacs Au, 5, 2025
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8HK1
 | | The cryo-EM structure of human pre-17S U2 snRNP | | Descriptor: | ATP-dependent RNA helicase DDX42, HIV Tat-specific factor 1, PHD finger-like domain-containing protein 5A, ... | | Authors: | Zhang, X, Zhan, X, Shi, Y. | | Deposit date: | 2022-11-24 | | Release date: | 2023-03-08 | | Last modified: | 2023-08-16 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | Mechanisms of the RNA helicases DDX42 and DDX46 in human U2 snRNP assembly.
Nat Commun, 14, 2023
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8OSV
 | | Structural and functional studies of geldanamycin amide synthase ShGdmF | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Ewert, W, Zeilinger, C, Kirschning, A, Preller, M. | | Deposit date: | 2023-04-20 | | Release date: | 2024-05-01 | | Last modified: | 2025-04-02 | | Method: | X-RAY DIFFRACTION (1.28 Å) | | Cite: | Structure and function of the geldanamycin amide synthase from Streptomyces hygroscopicus.
Nat Commun, 16, 2025
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8OT2
 | | Structural and functional studies of geldanamycin amide synthase ShGdmF | | Descriptor: | 1,2-ETHANEDIOL, 3-azanyl-5-methyl-phenol, ACETATE ION, ... | | Authors: | Ewert, W, Zeilinger, C, Kirschning, A, Preller, M. | | Deposit date: | 2023-04-20 | | Release date: | 2024-05-01 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Structural and functional studies of geldanamycin amide synthase ShGdmF
To Be Published
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7TAN
 | | Structure of VRK1 C-terminal tail bound to nucleosome core particle | | Descriptor: | Histone H2A type 1, Histone H2B type 1-C/E/F/G/I, Histone H3.2, ... | | Authors: | Spangler, C.J, Budziszewski, G.R, McGinty, R.K. | | Deposit date: | 2021-12-21 | | Release date: | 2022-05-04 | | Last modified: | 2024-02-28 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Multivalent DNA and nucleosome acidic patch interactions specify VRK1 mitotic localization and activity.
Nucleic Acids Res., 50, 2022
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9MIC
 | | Crystal structure of the VRC01-class antibody 4D01, derived from GT1.1 vaccination, in complex with eOD-GT8 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4D01 Fab heavy chain, 4D01 Fab light chain, ... | | Authors: | Agrawal, S, Wilson, I.A. | | Deposit date: | 2024-12-12 | | Release date: | 2025-05-28 | | Last modified: | 2025-08-13 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Precise targeting of HIV broadly neutralizing antibody precursors in humans.
Science, 389, 2025
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8OUH
 | | Complex of human ASCT2 with Syncytin-1 | | Descriptor: | ALANINE, Neutral amino acid transporter B(0), Syncytin-1 | | Authors: | Khare, S, Reyes, N. | | Deposit date: | 2023-04-23 | | Release date: | 2024-05-01 | | Last modified: | 2024-11-06 | | Method: | ELECTRON MICROSCOPY (2.62 Å) | | Cite: | Receptor-recognition and antiviral mechanisms of retrovirus-derived human proteins.
Nat.Struct.Mol.Biol., 31, 2024
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7T6W
 | | Crystal structure of Chaetomium Glucosidase I (apo) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Chaetomium alpha glucosidase, GLYCEROL, ... | | Authors: | Karade, S.S, Mariuzza, R.A. | | Deposit date: | 2021-12-14 | | Release date: | 2022-05-04 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Identification of Endoplasmic Reticulum alpha-Glucosidase I from a Thermophilic Fungus as a Platform for Structure-Guided Antiviral Drug Design.
Biochemistry, 61, 2022
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6QMI
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