5R8X
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5R9D
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5R9T
| PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment N13477a in complex with MAP kinase p38-alpha | Descriptor: | 6-methyl-5-[(4-propan-2-ylphenyl)amino]-2~{H}-1,2,4-triazin-3-one, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | De Nicola, G.F, Nichols, C.E. | Deposit date: | 2020-03-04 | Release date: | 2020-07-22 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes. J.Med.Chem., 63, 2020
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5RA9
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6DA2
| Human CYP3A4 bound to an inhibitor | Descriptor: | Cytochrome P450 3A4, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Sevrioukova, I.F. | Deposit date: | 2018-05-01 | Release date: | 2019-04-03 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Structure-Activity Relationships of Rationally Designed Ritonavir Analogues: Impact of Side-Group Stereochemistry, Headgroup Spacing, and Backbone Composition on the Interaction with CYP3A4. Biochemistry, 58, 2019
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5R98
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5R9N
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5R9Z
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6DA5
| Human CYP3A4 bound to an inhibitor | Descriptor: | Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, tert-butyl [(2R)-1-{[(2S)-1-oxo-3-phenyl-1-{[(pyridin-3-yl)methyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate | Authors: | Sevrioukova, I.F. | Deposit date: | 2018-05-01 | Release date: | 2019-04-03 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structure-Activity Relationships of Rationally Designed Ritonavir Analogues: Impact of Side-Group Stereochemistry, Headgroup Spacing, and Backbone Composition on the Interaction with CYP3A4. Biochemistry, 58, 2019
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6DAG
| Human CYP3A4 bound to an inhibitor | Descriptor: | Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, tert-butyl [(2R)-1-{[(2S)-1-oxo-3-phenyl-1-{[2-(pyridin-3-yl)ethyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate | Authors: | Sevrioukova, I.F. | Deposit date: | 2018-05-01 | Release date: | 2019-04-03 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure-Activity Relationships of Rationally Designed Ritonavir Analogues: Impact of Side-Group Stereochemistry, Headgroup Spacing, and Backbone Composition on the Interaction with CYP3A4. Biochemistry, 58, 2019
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4WO1
| Crystal structure of the DAP12 transmembrane domain in lipid cubic phase | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CALCIUM ION, TYRO protein tyrosine kinase-binding protein | Authors: | Call, M.J, Call, M.E, Knoblich, K. | Deposit date: | 2014-10-15 | Release date: | 2015-06-03 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Transmembrane Complexes of DAP12 Crystallized in Lipid Membranes Provide Insights into Control of Oligomerization in Immunoreceptor Assembly. Cell Rep, 11, 2015
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6DA8
| Human CYP3A4 bound to an inhibitor | Descriptor: | Cytochrome P450 3A4, Nalpha-{(2S)-2-[(tert-butoxycarbonyl)amino]-3-phenylpropyl}-N-[(pyridin-3-yl)methyl]-D-phenylalaninamide, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Sevrioukova, I.F. | Deposit date: | 2018-05-01 | Release date: | 2019-04-03 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.802 Å) | Cite: | Structure-Activity Relationships of Rationally Designed Ritonavir Analogues: Impact of Side-Group Stereochemistry, Headgroup Spacing, and Backbone Composition on the Interaction with CYP3A4. Biochemistry, 58, 2019
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5R8U
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5R9B
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5R9S
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6HKO
| Yeast RNA polymerase I elongation complex bound to nucleotide analog GMPCPP | Descriptor: | DNA-directed RNA polymerase I subunit RPA12, DNA-directed RNA polymerase I subunit RPA135, DNA-directed RNA polymerase I subunit RPA14, ... | Authors: | Tafur, L, Sadian, Y, Weis, F, Muller, C.W. | Deposit date: | 2018-09-07 | Release date: | 2019-04-03 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (3.42 Å) | Cite: | The cryo-EM structure of a 12-subunit variant of RNA polymerase I reveals dissociation of the A49-A34.5 heterodimer and rearrangement of subunit A12.2. Elife, 8, 2019
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6HA8
| Cryo-EM structure of the ABCF protein VmlR bound to the Bacillus subtilis ribosome | Descriptor: | 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ... | Authors: | Crowe-McAuliffe, C, Graf, M, Huter, P, Abdelshahid, M, Novacek, J, Wilson, D.N. | Deposit date: | 2018-08-07 | Release date: | 2018-08-29 | Last modified: | 2021-01-27 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Structural basis for antibiotic resistance mediated by theBacillus subtilisABCF ATPase VmlR. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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4WNT
| Human Cytochrome P450 2D6 Ajmalicine Complex | Descriptor: | Ajmalicine, Cytochrome P450 2D6, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Wang, A, Stout, C.D, Johnson, E.F. | Deposit date: | 2014-10-14 | Release date: | 2015-01-14 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Contributions of Ionic Interactions and Protein Dynamics to Cytochrome P450 2D6 (CYP2D6) Substrate and Inhibitor Binding. J.Biol.Chem., 290, 2015
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6ZJN
| Respiratory complex I from Thermus thermophilus, NADH dataset, minor state | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, IRON/SULFUR CLUSTER, NADH-quinone oxidoreductase subunit 1, ... | Authors: | Kaszuba, K, Tambalo, M, Gallagher, G.T, Sazanov, L.A. | Deposit date: | 2020-06-29 | Release date: | 2020-09-02 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (6.1 Å) | Cite: | Key role of quinone in the mechanism of respiratory complex I. Nat Commun, 11, 2020
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6ZJY
| Respiratory complex I from Thermus thermophilus, NAD+ dataset, minor state | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, IRON/SULFUR CLUSTER, NADH-quinone oxidoreductase subunit 1, ... | Authors: | Kaszuba, K, Tambalo, M, Gallagher, G.T, Sazanov, L.A. | Deposit date: | 2020-06-29 | Release date: | 2020-09-02 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (5.5 Å) | Cite: | Key role of quinone in the mechanism of respiratory complex I. Nat Commun, 11, 2020
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8FRN
| Acinetobacter baylyi LptB2FG bound to lipopolysaccharide and Zosurabalpin | Descriptor: | (2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-[(2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-5-[(2~{S},3~{S},4~{R},5~{R},6~{R})-6-[(1~{S})-1,2-bis(oxidanyl)ethyl]-4-[(2~{R},3~{S},4~{R},5~{S},6~{R})-6-[(1~{S})-2-[(2~{S},3~{S},4~{S},5~{S},6~{R})-6-[(1~{S})-1,2-bis(oxidanyl)ethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-1-oxidanyl-ethyl]-3,4-bis(oxidanyl)-5-phosphonooxy-oxan-2-yl]oxy-3-oxidanyl-5-phosphonooxy-oxan-2-yl]oxy-2-carboxy-2-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-5-[[(3~{R})-3-dodecanoyloxytetradecanoyl]amino]-6-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-3-oxidanyl-5-[[(3~{R})-3-oxidanyltetradecanoyl]amino]-4-[(3~{R})-3-oxidanyltetradecanoyl]oxy-6-phosphonooxy-oxan-2-yl]methoxy]-3-phosphonooxy-4-[(3~{R})-3-tetradecanoyloxytetradecanoyl]oxy-oxan-2-yl]methoxy]oxan-4-yl]oxy-4,5-bis(oxidanyl)oxane-2-carboxylic acid, DODECYL-BETA-D-MALTOSIDE, LPS export ABC transporter permease LptG, ... | Authors: | Pahil, K.S, Gilman, M.S.A, Kruse, A.C, Kahne, D. | Deposit date: | 2023-01-07 | Release date: | 2024-01-03 | Last modified: | 2024-01-31 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | A new antibiotic traps lipopolysaccharide in its intermembrane transporter. Nature, 625, 2024
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3B63
| Actin filament model in the extended form of acromsomal bundle in the Limulus sperm | Descriptor: | Actin | Authors: | Cong, Y, Topf, M, Sali, A, Matsudaira, P, Dougherty, M, Chiu, W, Schmid, M.F. | Deposit date: | 2007-10-26 | Release date: | 2008-11-18 | Last modified: | 2024-02-21 | Method: | ELECTRON MICROSCOPY (9.5 Å) | Cite: | Crystallographic conformers of actin in a biologically active bundle of filaments. J.Mol.Biol., 375, 2008
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4MHG
| Crystal structure of ETV6 bound to a specific DNA sequence | Descriptor: | Complementary Specific 14 bp DNA, Specific 14 bp DNA, Transcription factor ETV6 | Authors: | Chan, A.C, De, S, Coyne III, H.J, Okon, M, Murphy, M.E, Graves, B.J, McIntosh, L.P. | Deposit date: | 2013-08-29 | Release date: | 2014-01-08 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.199 Å) | Cite: | Steric Mechanism of Auto-Inhibitory Regulation of Specific and Non-Specific DNA Binding by the ETS Transcriptional Repressor ETV6. J.Mol.Biol., 426, 2014
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7MQA
| Cryo-EM structure of the human SSU processome, state post-A1 | Descriptor: | 18S rRNA, 40S ribosomal protein S11, 40S ribosomal protein S12, ... | Authors: | Vanden Broeck, A, Singh, S, Klinge, S. | Deposit date: | 2021-05-05 | Release date: | 2021-09-22 | Last modified: | 2021-09-29 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Nucleolar maturation of the human small subunit processome. Science, 373, 2021
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7MQ9
| Cryo-EM structure of the human SSU processome, state pre-A1* | Descriptor: | 18S rRNA, 40S ribosomal protein S11, 40S ribosomal protein S12, ... | Authors: | Vanden Broeck, A, Singh, S, Klinge, S. | Deposit date: | 2021-05-05 | Release date: | 2021-09-22 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (3.87 Å) | Cite: | Nucleolar maturation of the human small subunit processome. Science, 373, 2021
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