7AEU
 
 | |
7AET
 | |
7AEV
 | |
7AEP
 | | Solution structure of U1-A RRM2 (190-282) | | Descriptor: | U1 small nuclear ribonucleoprotein A | | Authors: | Campagne, S, Allain, F.H. | | Deposit date: | 2020-09-18 | | Release date: | 2021-02-03 | | Last modified: | 2024-06-19 | | Method: | SOLUTION NMR | | Cite: | An in vitro reconstituted U1 snRNP allows the study of the disordered regions of the particle and the interactions with proteins and ligands.
Nucleic Acids Res., 49, 2021
|
|
7AEL
 | | alpha 1-antitrypsin (C232S) complexed with GSK716 | | Descriptor: | Alpha-1-antitrypsin, SULFATE ION, ~{N}-[(1~{S},2~{R})-1-(3-fluoranyl-2-methyl-phenyl)-1-oxidanyl-pentan-2-yl]-2-oxidanylidene-1,3-dihydroindole-4-carboxamide | | Authors: | Chung, C. | | Deposit date: | 2020-09-17 | | Release date: | 2021-03-10 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Development of a small molecule that corrects misfolding and increases secretion of Z alpha 1 -antitrypsin.
Embo Mol Med, 13, 2021
|
|
7D2X
 | | Crystal Structure of BACE1 in complex with N-{3-[(4R)-2-amino-4-(prop-1-yn-1-yl)-5,6-dihydro-4H-1,3-oxazin-4-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide | | Descriptor: | Beta-secretase 1, GLYCEROL, IODIDE ION, ... | | Authors: | Fujimoto, K, Yoshida, S, Tadano, G, Asada, N, Fuchino, K, Suzuki, S, Matsuoka, E, Yamamoto, T, Yamamoto, S, Ando, S, Kanegawa, N, Tonomura, Y, Ito, H, Moechars, D, Rombouts, F.J.R, Gijsen, H.J.M, Kusakabe, K.I. | | Deposit date: | 2020-09-17 | | Release date: | 2021-03-31 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Structure-Based Approaches to Improving Selectivity through Utilizing Explicit Water Molecules: Discovery of Selective beta-Secretase (BACE1) Inhibitors over BACE2.
J.Med.Chem., 64, 2021
|
|
7D2V
 | | Crystal Structure of BACE1 in complex with N-{3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-5,6-dihydro-2H-1lambda6,2,4-thiadiazin-5-yl]-4-fluorophenyl}-5-fluoropyridine-2-carboxamide | | Descriptor: | Beta-secretase 1, GLYCEROL, IODIDE ION, ... | | Authors: | Fujimoto, K, Yoshida, S, Tadano, G, Asada, N, Fuchino, K, Suzuki, S, Matsuoka, E, Yamamoto, T, Yamamoto, S, Ando, S, Kanegawa, N, Tonomura, Y, Ito, H, Moechars, D, Rombouts, F.J.R, Gijsen, H.J.M, Kusakabe, K.I. | | Deposit date: | 2020-09-17 | | Release date: | 2021-03-31 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure-Based Approaches to Improving Selectivity through Utilizing Explicit Water Molecules: Discovery of Selective beta-Secretase (BACE1) Inhibitors over BACE2.
J.Med.Chem., 64, 2021
|
|
7D2Y
 | | complex of two RRM domains | | Descriptor: | Embryonic developmental protein tofu-6, RRM2, SULFATE ION | | Authors: | Wang, X, Liao, S, Xu, C. | | Deposit date: | 2020-09-17 | | Release date: | 2021-08-25 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.68 Å) | | Cite: | Molecular basis for PICS-mediated piRNA biogenesis and cell division.
Nat Commun, 12, 2021
|
|
7ADX
 | | SFX structure of dehaloperoxidase B in the oxyferrous form | | Descriptor: | Dehaloperoxidase B, OXYGEN MOLECULE, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Moreno Chicano, T, Ebrahim, A, Worrall, J.W, Axford, D.A, Owada, S, Tosha, T, Sugimoto, H, Strange, R.W, Owen, R.L, Hough, M.A. | | Deposit date: | 2020-09-16 | | Release date: | 2021-10-06 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | SFX structure of dehaloperoxidase B from Amphitrite ornata in the oxyferrous form
To Be Published
|
|
7K58
 | |
7K5B
 | |
7K59
 | | Structure of apo VCP hexamer generated from bacterially recombinant VCP/p97 | | Descriptor: | Transitional endoplasmic reticulum ATPase | | Authors: | Yu, G, Bai, Y, Li, K, Jiang, W, Zhang, Z.Y. | | Deposit date: | 2020-09-16 | | Release date: | 2021-10-13 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (4.2 Å) | | Cite: | Cryo-electron microscopy structures of VCP/p97 reveal a new mechanism of oligomerization regulation.
Iscience, 24, 2021
|
|
7K56
 | | Structure of VCP dodecamer purified from H1299 cells | | Descriptor: | Transitional endoplasmic reticulum ATPase | | Authors: | Yu, G, Bai, Y, Li, K, Jiang, W, Zhang, Z.Y. | | Deposit date: | 2020-09-16 | | Release date: | 2021-10-13 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Cryo-electron microscopy structures of VCP/p97 reveal a new mechanism of oligomerization regulation.
Iscience, 24, 2021
|
|
7K57
 | | Structure of apo VCP dodecamer generated from bacterially recombinant VCP/p97 | | Descriptor: | Transitional endoplasmic reticulum ATPase | | Authors: | Yu, G, Bai, Y, Li, K, Jiang, W, Zhang, Z.Y. | | Deposit date: | 2020-09-16 | | Release date: | 2021-10-13 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Cryo-electron microscopy structures of VCP/p97 reveal a new mechanism of oligomerization regulation.
Iscience, 24, 2021
|
|
7ADQ
 | | Serial Laue crystallography structure of dehaloperoxidase B from Amphitrite ornata | | Descriptor: | Dehaloperoxidase B, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION | | Authors: | Moreno-Chicano, T.M, Ebrahim, A.E, Srajer, V, Henning, R.W, Doak, B.C, Trebbin, M, Monteiro, D.C.F, Hough, M.A. | | Deposit date: | 2020-09-15 | | Release date: | 2021-11-03 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Complementarity of neutron, XFEL and synchrotron crystallography for defining the structures of metalloenzymes at room temperature.
Iucrj, 9, 2022
|
|
7K4M
 | | Crystal structure of MetAP2 Modified Hemoglobin S | | Descriptor: | CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | | Authors: | Musayev, F.N, Safo, M.K, Light, D.R. | | Deposit date: | 2020-09-15 | | Release date: | 2021-10-13 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | MetAP2 inhibition modifies hemoglobin S to delay polymerization and improves blood flow in sickle cell disease.
Blood Adv, 5, 2021
|
|
7K4F
 | | Cryo-EM structure of human TRPV6 in complex with (4- phenylcyclohexyl)piperazine inhibitor 31 | | Descriptor: | 5-[(4-{cis-4-[3-(trifluoromethyl)phenyl]cyclohexyl}piperazin-1-yl)methyl]pyridin-2(1H)-one, CALCIUM ION, Transient receptor potential cation channel subfamily V member 6 | | Authors: | Neuberger, A, Nadezhdin, K.D, Singh, A.K, Sobolevsky, A.I. | | Deposit date: | 2020-09-15 | | Release date: | 2020-12-09 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.75 Å) | | Cite: | Inactivation-mimicking block of the epithelial calcium channel TRPV6.
Sci Adv, 6, 2020
|
|
7K4D
 | | Cryo-EM structure of human TRPV6 in complex with (4- phenylcyclohexyl)piperazine inhibitor 3OG | | Descriptor: | 5-[(4-{trans-4-hydroxy-4-[3-(trifluoromethyl)phenyl]cyclohexyl}piperazin-1-yl)methyl]pyridin-2(1H)-one, CALCIUM ION, Transient receptor potential cation channel subfamily V member 6 | | Authors: | Neuberger, A, Nadezhdin, K.D, Singh, A.K, Sobolevsky, A.I. | | Deposit date: | 2020-09-15 | | Release date: | 2020-12-09 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.66 Å) | | Cite: | Inactivation-mimicking block of the epithelial calcium channel TRPV6.
Sci Adv, 6, 2020
|
|
7K4B
 | | Cryo-EM structure of human TRPV6 in complex with (4- phenylcyclohexyl)piperazine inhibitor cis-22a | | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-[cis-4-(3-methylphenyl)cyclohexyl]-4-(pyridin-3-yl)piperazine, CALCIUM ION, ... | | Authors: | Neuberger, A, Nadezhdin, K.D, Singh, A.K, Sobolevsky, A.I. | | Deposit date: | 2020-09-15 | | Release date: | 2020-12-09 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Inactivation-mimicking block of the epithelial calcium channel TRPV6.
Sci Adv, 6, 2020
|
|
7K4C
 | | Cryo-EM structure of human TRPV6 in complex with (4- phenylcyclohexyl)piperazine inhibitor Br-cis-22a | | Descriptor: | 1-(5-bromopyridin-3-yl)-4-[cis-4-(3-methylphenyl)cyclohexyl]piperazine, CALCIUM ION, Transient receptor potential cation channel subfamily V member 6 | | Authors: | Neuberger, A, Nadezhdin, K.D, Singh, A.K, Sobolevsky, A.I. | | Deposit date: | 2020-09-15 | | Release date: | 2020-12-09 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.78 Å) | | Cite: | Inactivation-mimicking block of the epithelial calcium channel TRPV6.
Sci Adv, 6, 2020
|
|
7K4E
 | | Cryo-EM structure of human TRPV6 in complex with (4- phenylcyclohexyl)piperazine inhibitor 30 | | Descriptor: | 5-({4-[(1R,4S)-3'-methyl[1,2,3,4-tetrahydro[1,1'-biphenyl]]-4-yl]piperazin-1-yl}methyl)pyridin-2(1H)-one, Transient receptor potential cation channel subfamily V member 6 | | Authors: | Neuberger, A, Nadezhdin, K.D, Singh, A.K, Sobolevsky, A.I. | | Deposit date: | 2020-09-15 | | Release date: | 2020-12-09 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (4.34 Å) | | Cite: | Inactivation-mimicking block of the epithelial calcium channel TRPV6.
Sci Adv, 6, 2020
|
|
7K4A
 | | Cryo-EM structure of human TRPV6 in the open state | | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CALCIUM ION, CHOLESTEROL HEMISUCCINATE, ... | | Authors: | Neuberger, A, Nadezhdin, K.D, Singh, A.K, Sobolevsky, A.I. | | Deposit date: | 2020-09-15 | | Release date: | 2020-12-09 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.26 Å) | | Cite: | Inactivation-mimicking block of the epithelial calcium channel TRPV6.
Sci Adv, 6, 2020
|
|
7ADF
 | | SFX structure of dehaloperoxidase B in the ferric form | | Descriptor: | Dehaloperoxidase B, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION | | Authors: | Moreno Chicano, T, Ebrahim, A.E, Axford, D.A, Sherrell, D.A, Sugimoto, H, Tono, K, Owada, S, Worrall, J.W, Strange, R.W, Owen, R.L, Hough, M.A. | | Deposit date: | 2020-09-14 | | Release date: | 2021-10-06 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | SFX structure of dehaloperoxidase B in the ferric form
to be published
|
|
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
|
|
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
|
|
