6I0D
 
 | | Respiratory complex I from Thermus thermophilus with bound Decyl-Ubiquinone | | Descriptor: | 2-decyl-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione, FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, ... | | Authors: | Gutierrez-Fernandez, J, Minhas, G.S, Sazanov, L.A. | | Deposit date: | 2018-10-25 | | Release date: | 2020-09-02 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.6 Å) | | Cite: | Key role of quinone in the mechanism of respiratory complex I.
Nat Commun, 11, 2020
|
|
5VOZ
 | | Yeast V-ATPase in complex with Legionella pneumophila effector SidK (rotational state 3) | | Descriptor: | Uncharacterized protein, V-type proton ATPase catalytic subunit A,V-type proton ATPase catalytic subunit A, V-type proton ATPase subunit B, ... | | Authors: | Zhao, J. | | Deposit date: | 2017-05-03 | | Release date: | 2017-06-28 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (7.6 Å) | | Cite: | Molecular basis for the binding and modulation of V-ATPase by a bacterial effector protein.
PLoS Pathog., 13, 2017
|
|
7UF9
 | | CYP3A4 bound to an inhibitor | | Descriptor: | Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, tert-butyl [(2S)-1-{[(2R)-1-oxo-3-phenyl-1-{[2-(pyridin-4-yl)ethyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate | | Authors: | Sevrioukova, I. | | Deposit date: | 2022-03-22 | | Release date: | 2022-07-27 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Interaction of CYP3A4 with Rationally Designed Ritonavir Analogues: Impact of Steric Constraints Imposed on the Heme-Ligating Group and the End-Pyridine Attachment.
Int J Mol Sci, 23, 2022
|
|
7UFF
 | | Human CYP3A4 bound to an inhibitor | | Descriptor: | Cytochrome P450 3A4, N-(2-oxo-2-{[(2S)-1-{[(2R)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]amino}ethyl)pyridine-3-carboxamide, PHOSPHATE ION, ... | | Authors: | Sevrioukova, I.F. | | Deposit date: | 2022-03-22 | | Release date: | 2022-07-27 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Interaction of CYP3A4 with Rationally Designed Ritonavir Analogues: Impact of Steric Constraints Imposed on the Heme-Ligating Group and the End-Pyridine Attachment.
Int J Mol Sci, 23, 2022
|
|
7UFD
 | | Human CYP3A4 bound to an inhibitor | | Descriptor: | (2S)-3-phenyl-2-({(2S)-3-phenyl-2-[3-(pyridin-3-yl)propanamido]propyl}sulfanyl)-N-[2-(pyridin-3-yl)ethyl]propanamide, Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Sevrioukova, I.F. | | Deposit date: | 2022-03-22 | | Release date: | 2022-07-27 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Interaction of CYP3A4 with Rationally Designed Ritonavir Analogues: Impact of Steric Constraints Imposed on the Heme-Ligating Group and the End-Pyridine Attachment.
Int J Mol Sci, 23, 2022
|
|
7UFE
 | | Human CYP3A4 bound to an inhibitor | | Descriptor: | Cytochrome P450 3A4, GLYCEROL, N-[(2S)-1-{[(2R)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]pyridine-3-carboxamide, ... | | Authors: | Sevrioukova, I.F. | | Deposit date: | 2022-03-22 | | Release date: | 2022-07-27 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Interaction of CYP3A4 with Rationally Designed Ritonavir Analogues: Impact of Steric Constraints Imposed on the Heme-Ligating Group and the End-Pyridine Attachment.
Int J Mol Sci, 23, 2022
|
|
7UFA
 | | CYP3A4 bound to an inhibitor | | Descriptor: | Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, tert-butyl [(2S)-1-{[(2R)-1-oxo-3-phenyl-1-{[3-(pyridin-4-yl)propyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate | | Authors: | Sevrioukova, I. | | Deposit date: | 2022-03-22 | | Release date: | 2022-07-27 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Interaction of CYP3A4 with Rationally Designed Ritonavir Analogues: Impact of Steric Constraints Imposed on the Heme-Ligating Group and the End-Pyridine Attachment.
Int J Mol Sci, 23, 2022
|
|
7UFC
 | | Human CYP3A4 bound to an inhibitor | | Descriptor: | (2R)-3-phenyl-2-({(2S)-3-phenyl-2-[3-(pyridin-3-yl)propanamido]propyl}sulfanyl)-N-[2-(pyridin-3-yl)ethyl]propanamide, Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Sevrioukova, I.F. | | Deposit date: | 2022-03-22 | | Release date: | 2022-07-27 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Interaction of CYP3A4 with Rationally Designed Ritonavir Analogues: Impact of Steric Constraints Imposed on the Heme-Ligating Group and the End-Pyridine Attachment.
Int J Mol Sci, 23, 2022
|
|
7UFB
 | | CYP3A4 bound to an inhibitor | | Descriptor: | (2R)-3-phenyl-2-({(2S)-3-phenyl-2-[2-(pyridin-3-yl)acetamido]propyl}sulfanyl)-N-[(pyridin-3-yl)methyl]propanamide, Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Sevrioukova, I. | | Deposit date: | 2022-03-22 | | Release date: | 2022-07-27 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Interaction of CYP3A4 with Rationally Designed Ritonavir Analogues: Impact of Steric Constraints Imposed on the Heme-Ligating Group and the End-Pyridine Attachment.
Int J Mol Sci, 23, 2022
|
|
4RSU
 | | Crystal structure of the light and hvem complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, GLYCEROL, ... | | Authors: | Liu, W, Ramagoal, U.A, Himmel, D, Bonanno, J.B, Nathenson, S.G, Almo, S.C, Atoms-to-Animals: The Immune Function Network (IFN), New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2014-11-11 | | Release date: | 2015-02-04 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | HVEM structures and mutants reveal distinct functions of binding to LIGHT and BTLA/CD160.
J.Exp.Med., 218, 2021
|
|
8SO2
 | | Human CYP3A4 bound to a substrate | | Descriptor: | CAFFEINE, Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Sevrioukova, I.F. | | Deposit date: | 2023-04-28 | | Release date: | 2023-08-02 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Interaction of CYP3A4 with caffeine: First insights into multiple substrate binding.
J.Biol.Chem., 299, 2023
|
|
6ZQE
 | | Cryo-EM structure of the 90S pre-ribosome from Saccharomyces cerevisiae, state Dis-A (Poly-Ala) | | Descriptor: | 13 kDa ribonucleoprotein-associated protein, 18S rRNA, 40S ribosomal protein S1-A, ... | | Authors: | Cheng, J, Lau, B, Venuta, G.L, Berninghausen, O, Hurt, E, Beckmann, R. | | Deposit date: | 2020-07-09 | | Release date: | 2020-09-23 | | Last modified: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (7.1 Å) | | Cite: | 90 S pre-ribosome transformation into the primordial 40 S subunit.
Science, 369, 2020
|
|
8SO1
 | | Human CYP3A4 bound to three caffeine molecules | | Descriptor: | CAFFEINE, Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Sevrioukova, I.F. | | Deposit date: | 2023-04-28 | | Release date: | 2023-08-02 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Interaction of CYP3A4 with caffeine: First insights into multiple substrate binding.
J.Biol.Chem., 299, 2023
|
|
8SPD
 | | Cytochrome P450 (CYP) 3A4 crystallized with clotrimazole | | Descriptor: | 1-[(2-CHLOROPHENYL)(DIPHENYL)METHYL]-1H-IMIDAZOLE, Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Hsu, M.H, Johnson, E.F. | | Deposit date: | 2023-05-02 | | Release date: | 2023-10-11 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Differential Effects of Clotrimazole on X-Ray Crystal Structures of Human Cytochromes P450 3A5 and 3A4.
Drug Metab.Dispos., 51, 2023
|
|
6HLQ
 | | 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: | 2018-09-11 | | Release date: | 2019-04-03 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (3.18 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
|
|
7D4I
 | | Cryo-EM structure of 90S small ribosomal precursors complex with the DEAH-box RNA helicase Dhr1 (State F) | | Descriptor: | 13 kDa ribonucleoprotein-associated protein, 18S rRNA, 40S ribosomal protein S1-A, ... | | Authors: | Du, Y, Zhang, J, An, W, Ye, K. | | Deposit date: | 2020-09-24 | | Release date: | 2021-10-06 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | Cryo-EM structure of 90S small ribosomal precursors complex with Dhr1
To Be Published
|
|
7D5S
 | | Cryo-EM structure of 90S preribosome with inactive Utp24 (state A2) | | Descriptor: | 13 kDa ribonucleoprotein-associated protein, 18S rRNA, 40S ribosomal protein S12, ... | | Authors: | Du, Y, Zhang, J, An, W, Ye, K. | | Deposit date: | 2020-09-28 | | Release date: | 2021-10-06 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (4.6 Å) | | Cite: | Cryo-EM structure of 90S preribosome with inactive Utp24 (state A2)
To Be Published
|
|
7UIF
 | | Mediator-PIC Early (Core B) | | Descriptor: | DNA-directed RNA polymerase II subunit RPB1, DNA-directed RNA polymerase II subunit RPB11, DNA-directed RNA polymerase II subunit RPB2, ... | | Authors: | Gorbea Colon, J.J, Chen, S.-F, Tsai, K.L, Murakami, K. | | Deposit date: | 2022-03-29 | | Release date: | 2023-02-15 | | Last modified: | 2023-03-08 | | Method: | ELECTRON MICROSCOPY (4.6 Å) | | Cite: | Structural basis of a transcription pre-initiation complex on a divergent promoter.
Mol.Cell, 83, 2023
|
|
7UIO
 | | Mediator-PIC Early (Composite Model) | | Descriptor: | ALANINE, ASPARTIC ACID, DNA (37-MER), ... | | Authors: | Gorbea Colon, J.J, Chen, S.-F, Tsai, K.L, Murakami, K. | | Deposit date: | 2022-03-29 | | Release date: | 2023-03-01 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Structural basis of a transcription pre-initiation complex on a divergent promoter.
Mol.Cell, 83, 2023
|
|
7UI9
 | | Core Mediator-PICearly (Copy A) | | Descriptor: | DNA-directed RNA polymerase II subunit RPB1, DNA-directed RNA polymerase II subunit RPB11, DNA-directed RNA polymerase II subunit RPB2, ... | | Authors: | Gorbea Colon, J.J, Chen, S.-F, Tsai, K.L, Murakami, K. | | Deposit date: | 2022-03-28 | | Release date: | 2023-02-15 | | Last modified: | 2023-03-08 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Structural basis of a transcription pre-initiation complex on a divergent promoter.
Mol.Cell, 83, 2023
|
|
5VOX
 | | Yeast V-ATPase in complex with Legionella pneumophila effector SidK (rotational state 1) | | Descriptor: | V-type proton ATPase catalytic subunit A,V-type proton ATPase catalytic subunit A, V-type proton ATPase subunit B, V-type proton ATPase subunit C, ... | | Authors: | Zhao, J. | | Deposit date: | 2017-05-03 | | Release date: | 2017-06-21 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (6.8 Å) | | Cite: | Molecular basis for the binding and modulation of V-ATPase by a bacterial effector protein.
PLoS Pathog., 13, 2017
|
|
6I1P
 | | Respiratory complex I from Thermus thermophilus with bound NADH | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, ... | | Authors: | Gutierrez-Fernandez, J, Minhas, G.S, Sazanov, L.A. | | Deposit date: | 2018-10-29 | | Release date: | 2020-09-02 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.207 Å) | | Cite: | Key role of quinone in the mechanism of respiratory complex I.
Nat Commun, 11, 2020
|
|
6HLR
 | | Yeast RNA polymerase I elongation complex bound to nucleotide analog GMPCPP (core focused) | | 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: | 2018-09-11 | | Release date: | 2019-04-03 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (3.18 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
|
|
4V3G
 | | Crystal structure of CymA from Klebsiella oxytoca | | Descriptor: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, CYMA PROTEIN | | Authors: | van den Berg, B, Bhamidimarri, S.P, Kleinekathoefer, U, Winterhalter, M. | | Deposit date: | 2014-10-18 | | Release date: | 2015-06-03 | | Last modified: | 2018-02-21 | | Method: | X-RAY DIFFRACTION (2.513 Å) | | Cite: | Outer-membrane translocation of bulky small molecules by passive diffusion.
Proc. Natl. Acad. Sci. U.S.A., 112, 2015
|
|
5LWB
 | | Crystal structure of human JARID1B in complex with S40650a | | Descriptor: | 1,2-ETHANEDIOL, 5-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-7-oxidanylidene-6-propan-2-yl-6~{H}-pyrazolo[1,5-a]pyrimidine-3-carbonitrile, DIMETHYL SULFOXIDE, ... | | Authors: | Srikannathasan, V, Le Bihan, Y.V, Szykowska, A, Johansson, C, Gileadi, C, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F, Oppermann, U, Huber, K. | | Deposit date: | 2016-09-15 | | Release date: | 2016-10-26 | | Method: | X-RAY DIFFRACTION (2.39 Å) | | Cite: | Crystal structure of human JARID1B in complex with S40650a
to be published
|
|
