7ADG
 
 | | Cocktail experiment G: fragments 216 and 338 at 90 mM concentration in complex with Endothiapepsin | | Descriptor: | 2-(1H-imidazol-1-yl)-N-(trans-4-methylcyclohexyl)acetamide, ACETATE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Hassaan, E, Klebe, G, Heine, A, Schiebel, J, Koester, H. | | Deposit date: | 2020-09-14 | | Release date: | 2021-10-06 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.0794636 Å) | | Cite: | Comparison of Cocktail Screening in X-Ray Crystallography vs NMR
To Be Published
|
|
7ADD
 | | Transcription termination intermediate complex IIIa | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, DNA-directed RNA polymerase subunit alpha, ... | | Authors: | Said, N, Hilal, T, Loll, B, Wahl, C.M. | | Deposit date: | 2020-09-14 | | Release date: | 2020-11-25 | | Last modified: | 2021-02-03 | | Method: | ELECTRON MICROSCOPY (4.3 Å) | | Cite: | Steps toward translocation-independent RNA polymerase inactivation by terminator ATPase rho.
Science, 371, 2021
|
|
7AD9
 | | Structure of the Lifeact-F-actin complex | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ... | | Authors: | Belyy, A, Merino, F, Sitsel, O, Raunser, S. | | Deposit date: | 2020-09-14 | | Release date: | 2020-10-28 | | Last modified: | 2020-12-02 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Structure of the Lifeact-F-actin complex.
Plos Biol., 18, 2020
|
|
7ADB
 | | Transcription termination intermediate complex 1 delta NusG | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, DNA-directed RNA polymerase subunit alpha, ... | | Authors: | Said, N, Hilal, T, Loll, B, Wahl, C.M. | | Deposit date: | 2020-09-14 | | Release date: | 2020-11-04 | | Last modified: | 2021-02-03 | | Method: | ELECTRON MICROSCOPY (4.4 Å) | | Cite: | Steps toward translocation-independent RNA polymerase inactivation by terminator ATPase rho.
Science, 371, 2021
|
|
7ADC
 | | Transcription termination intermediate complex 3 delta NusG | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, DNA-directed RNA polymerase subunit alpha, ... | | Authors: | Said, N, Hilal, T, Loll, B, Wahl, C.M. | | Deposit date: | 2020-09-14 | | Release date: | 2020-11-25 | | Last modified: | 2021-02-03 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | Steps toward translocation-independent RNA polymerase inactivation by terminator ATPase rho.
Science, 371, 2021
|
|
7ADE
 | | Transcription termination complex IVa | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, DNA-directed RNA polymerase subunit alpha, ... | | Authors: | Said, N, Hilal, T, Loll, B, Wahl, C.M. | | Deposit date: | 2020-09-14 | | Release date: | 2020-11-25 | | Last modified: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (4.2 Å) | | Cite: | Steps toward translocation-independent RNA polymerase inactivation by terminator ATPase rho.
Science, 371, 2021
|
|
7D1G
 | | Crystal structure of Glyceraldehyde-3-Phosphate Dehydrogenase GAPDH from Clostridium beijerinckii | | Descriptor: | BETA-MERCAPTOETHANOL, Glyceraldehyde-3-phosphate dehydrogenase, MAGNESIUM ION | | Authors: | Chen, Y, Lan, J, Liu, W, Wang, L, Xu, Y. | | Deposit date: | 2020-09-14 | | Release date: | 2021-03-17 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Crystal structure of Glyceraldehyde-3-Phosphate Dehydrogenase GAPDH from Clostridium beijerinckii
To Be Published
|
|
7D0W
 | |
7ACK
 | | CDK2/cyclin A2 in complex with an imidazo[1,2-c]pyrimidin-5-one inhibitor | | Descriptor: | 1,2-ETHANEDIOL, 8-cyclohexyl-6~{H}-imidazo[1,2-c]pyrimidin-5-one, Cyclin-A2, ... | | Authors: | Skerlova, J, Pachl, P, Rezacova, P. | | Deposit date: | 2020-09-11 | | Release date: | 2021-03-24 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Imidazo[1,2-c]pyrimidin-5(6H)-one inhibitors of CDK2: Synthesis, kinase inhibition and co-crystal structure.
Eur.J.Med.Chem., 216, 2021
|
|
7D0T
 | |
7D0U
 | |
7ACP
 | | Serial synchrotron structure of dehaloperoxidase B | | Descriptor: | Dehaloperoxidase B, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION | | Authors: | Moreno Chicano, T, Ebrahim, A.E, Axford, D.A, Sherrell, D.A, Worrall, J.W, Strange, R.W, Owen, R.L, Hough, M.A. | | Deposit date: | 2020-09-11 | | Release date: | 2021-10-06 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | SFX structure of dehaloperoxidase B in the ferric form
to be published
|
|
7ACQ
 | | CRYSTAL STRUCTURE OF INACTIVE KRAS G12D (GDP) IN COMPLEX WITH THE SOAKED DIMERIC INHIBITOR BI-5747 | | Descriptor: | (3~{S})-5-oxidanyl-3-[2-[[6-[[3-[(1~{S})-6-oxidanyl-3-oxidanylidene-1,2-dihydroisoindol-1-yl]-1~{H}-indol-2-yl]methylamino]hexylamino]methyl]-1~{H}-indol-3-yl]-2,3-dihydroisoindol-1-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Kessler, D. | | Deposit date: | 2020-09-11 | | Release date: | 2020-11-18 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | CRYSTAL STRUCTURE OF INACTIVE KRAS G12D (GDP) IN COMPLEX WITH THE SOAKED DIMERIC INHIBITOR BI00925747
To Be Published
|
|
7K3I
 | | Cellular retinol-binding protein 2 (CRBP2) in complex with 2-lauroylglycerol | | Descriptor: | 1,3-dihydroxypropan-2-yl dodecanoate, Retinol-binding protein 2 | | Authors: | Adams, C, Silvaroli, J.A, Banarjee, S, Golczak, M. | | Deposit date: | 2020-09-11 | | Release date: | 2021-03-10 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Molecular basis for the interaction of cellular retinol binding protein 2 (CRBP2) with nonretinoid ligands.
J.Lipid Res., 62, 2021
|
|
7D0F
 | | cryo-EM structure of a pre-catalytic group II intron RNP | | Descriptor: | Group II intron-encoded protein LtrA, RNA (738-MER) | | Authors: | Liu, N, Dong, X.L, Hu, C.X, Zeng, J.W, Wang, J.W, Wang, J, Wang, H.W, Belfort, M. | | Deposit date: | 2020-09-10 | | Release date: | 2020-09-30 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (5 Å) | | Cite: | Exon and protein positioning in a pre-catalytic group II intron RNP primed for splicing.
Nucleic Acids Res., 48, 2020
|
|
7D0G
 | | Cryo-EM structure of a pre-catalytic group II intron | | Descriptor: | Group II intron-encoded protein LtrA, RNA (714-MER) | | Authors: | Liu, N, Dong, X.L, Hu, C.X, Zeng, J.W, Wang, J.W, Wang, J, Wang, H.W, Belfort, M. | | Deposit date: | 2020-09-10 | | Release date: | 2020-09-30 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (5 Å) | | Cite: | Exon and protein positioning in a pre-catalytic group II intron RNP primed for splicing.
Nucleic Acids Res., 48, 2020
|
|
7ACH
 | | CRYSTAL STRUCTURE OF ACTIVE KRAS G12D (GPPCP) IN COMPLEX WITH THE SOAKED DIMERIC INHIBITOR BI-5747 | | Descriptor: | (3~{S})-5-oxidanyl-3-[2-[[6-[[3-[(1~{S})-6-oxidanyl-3-oxidanylidene-1,2-dihydroisoindol-1-yl]-1~{H}-indol-2-yl]methylamino]hexylamino]methyl]-1~{H}-indol-3-yl]-2,3-dihydroisoindol-1-one, GTPase KRas, MAGNESIUM ION, ... | | Authors: | Kessler, D. | | Deposit date: | 2020-09-10 | | Release date: | 2020-11-18 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | CRYSTAL STRUCTURE OF ACTIVE KRAS G12D (GPPCP) IN COMPLEX WITH THE SOAKED DIMERIC INHIBITOR BI-5747
To Be Published
|
|
7AC5
 | | Structure of Tubulin Darpin complex 1 collected by rotation serial crystallography on a COC membrane at a synchrotron source | | Descriptor: | 2-(2-METHOXYETHOXY)ETHANOL, Designed Ankyrin Repeat Protein (DARPIN) D1, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Martiel, I, Olieric, N, Wranik, M, Padeste, C, Karpik, A, Huang, C.Y, Wang, M, Marsh, M. | | Deposit date: | 2020-09-10 | | Release date: | 2021-09-01 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Versatile microporous polymer-based supports for serial macromolecular crystallography.
Acta Crystallogr D Struct Biol, 77, 2021
|
|
7AC9
 | | Thrombin in complex with D-arginine (j77) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, D-ARGININE, DIMETHYL SULFOXIDE, ... | | Authors: | Scanlan, W, Heine, A, Klebe, G, Abazi, N. | | Deposit date: | 2020-09-10 | | Release date: | 2021-10-06 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.393 Å) | | Cite: | Thrombin in complex with D-arginine (j77)
To be published
|
|
7ACF
 | | CRYSTAL STRUCTURE OF CRYSTAL FORM 2 OF AN ACTIVE KRAS G12D (GPPCP) DIMER IN COMPLEX WITH BI-5747 | | Descriptor: | (3~{S})-5-oxidanyl-3-[2-[[6-[[3-[(1~{S})-6-oxidanyl-3-oxidanylidene-1,2-dihydroisoindol-1-yl]-1~{H}-indol-2-yl]methylamino]hexylamino]methyl]-1~{H}-indol-3-yl]-2,3-dihydroisoindol-1-one, GTPase KRas, MAGNESIUM ION, ... | | Authors: | Kessler, D. | | Deposit date: | 2020-09-10 | | Release date: | 2020-11-18 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | Reply to Tran et al.: Dimeric KRAS protein-protein interaction stabilizers.
Proc. Natl. Acad. Sci. U.S.A., 117, 2020
|
|
7ACA
 | | CRYSTAL STRUCTURE OF AN ACTIVE KRAS G12D (GPPCP) DIMER IN COMPLEX WITH BI-5747 | | Descriptor: | (3~{S})-5-oxidanyl-3-[2-[[6-[[3-[(1~{S})-6-oxidanyl-3-oxidanylidene-1,2-dihydroisoindol-1-yl]-1~{H}-indol-2-yl]methylamino]hexylamino]methyl]-1~{H}-indol-3-yl]-2,3-dihydroisoindol-1-one, 1,2-ETHANEDIOL, GTPase KRas, ... | | Authors: | Kessler, D. | | Deposit date: | 2020-09-10 | | Release date: | 2020-11-18 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | CRYSTAL STRUCTURE OF AN ACTIVE KRAS G12D (GPPCP) DIMER IN COMPLEX WITH BI-5747
To Be Published
|
|
7D0A
 | | Acinetobacter MlaFEDB complex in ADP-vanadate trapped Vclose conformation | | Descriptor: | ABC transporter ATP-binding protein, ADENOSINE-5'-DIPHOSPHATE, Anti-sigma factor antagonist, ... | | Authors: | Zhang, Y.Y, Fan, Q.X, Chi, X.M, Zhou, Q, Li, Y.Y. | | Deposit date: | 2020-09-09 | | Release date: | 2020-12-16 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | Cryo-EM structures of Acinetobacter baumannii glycerophospholipid transporter.
Cell Discov, 6, 2020
|
|
7D08
 | | Acinetobacter MlaFEDB complex in ATP-bound Vtrans1 conformation | | Descriptor: | ABC transporter ATP-binding protein, ADENOSINE-5'-TRIPHOSPHATE, Anti-sigma factor antagonist, ... | | Authors: | Zhang, Y.Y, Fan, Q.X, Chi, X.M, Zhou, Q, Li, Y.Y. | | Deposit date: | 2020-09-09 | | Release date: | 2020-12-16 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | Cryo-EM structures of Acinetobacter baumannii glycerophospholipid transporter.
Cell Discov, 6, 2020
|
|
7D09
 | | Acinetobacter MlaFEDB complex in ATP-bound Vtrans2 conformation | | Descriptor: | ABC transporter ATP-binding protein, ADENOSINE-5'-TRIPHOSPHATE, Anti-sigma factor antagonist, ... | | Authors: | Zhang, Y.Y, Fan, Q.X, Chi, X.M, Zhou, Q, Li, Y.Y. | | Deposit date: | 2020-09-09 | | Release date: | 2020-12-16 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Cryo-EM structures of Acinetobacter baumannii glycerophospholipid transporter.
Cell Discov, 6, 2020
|
|
7D06
 | | Cryo EM structure of the nucleotide free Acinetobacter MlaFEDB complex | | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, ABC transporter ATP-binding protein, Anti-sigma factor antagonist, ... | | Authors: | Zhang, Y.Y, Fan, Q.X, Chi, X.M, Zhou, Q, Li, Y.Y. | | Deposit date: | 2020-09-09 | | Release date: | 2020-12-16 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Cryo-EM structures of Acinetobacter baumannii glycerophospholipid transporter.
Cell Discov, 6, 2020
|
|
