7T90
| Cryo-EM structure of ACh-bound M2R-Go signaling complex in S2 state | Descriptor: | ACETYLCHOLINE, 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, ... | Authors: | Xu, J, Wang, Q, Du, Y, Kobilka, B.K. | Deposit date: | 2021-12-17 | Release date: | 2023-01-25 | Last modified: | 2024-02-07 | Method: | ELECTRON MICROSCOPY (3.32 Å) | Cite: | Structural and dynamic insights into supra-physiological activation and allosteric modulation of a muscarinic acetylcholine receptor. Nat Commun, 14, 2023
|
|
8J3T
| Complex structure of human cytomegalovirus protease and a non-covalent small-molecule ligand | Descriptor: | (4R)-1-[1-[(S)-[1-cyclopentyl-3-(2-methylphenyl)pyrazol-4-yl]-(4-methylphenyl)methyl]-2-oxidanylidene-pyridin-3-yl]-3-methyl-2-oxidanylidene-N-(3-oxidanylidene-2-azabicyclo[2.2.2]octan-4-yl)imidazolidine-4-carboxamide, Assemblin | Authors: | Yoshida, S, Sako, Y, Nikaido, E, Ueda, T, Kozono, I, Ichihashi, Y, Nakahashi, A, Onishi, M, Yamatsu, Y, Kato, T, Nishikawa, J, Tachibana, Y. | Deposit date: | 2023-04-18 | Release date: | 2023-11-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Peptide-to-Small Molecule: Discovery of Non-Covalent, Active-Site Inhibitors of beta-Herpesvirus Proteases. Acs Med.Chem.Lett., 14, 2023
|
|
7T8X
| Cryo-EM structure of ACh-bound M2R-Go signaling complex in S1 state | Descriptor: | ACETYLCHOLINE, Antibody fragment, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Xu, J, Wang, Q, Du, Y, Kobilka, B.K. | Deposit date: | 2021-12-17 | Release date: | 2023-01-25 | Last modified: | 2024-02-07 | Method: | ELECTRON MICROSCOPY (3.21 Å) | Cite: | Structural and dynamic insights into supra-physiological activation and allosteric modulation of a muscarinic acetylcholine receptor. Nat Commun, 14, 2023
|
|
8IW0
| Crystal structure of the KANK1/liprin-beta1 complex | Descriptor: | Liprin-beta-1,KN motif and ankyrin repeat domain-containing protein 1 | Authors: | Zhang, J, Chen, S, Wei, Z, Yu, C. | Deposit date: | 2023-03-29 | Release date: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | KANK1 shapes focal adhesions by orchestrating protein binding, mechanical force sensing, and phase separation. Cell Rep, 42, 2023
|
|
8CU6
| Crystal structure of A2AAR-StaR2-S277-bRIL in complex with a novel A2a antagonist, LJ-4517 | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2R,3R,4R)-2-[(8P)-6-amino-2-(hex-1-yn-1-yl)-8-(thiophen-2-yl)-9H-purin-9-yl]oxolane-3,4-diol, Adenosine receptor A2a,Soluble cytochrome b562, ... | Authors: | Shiriaeva, A, Park, D.-J, Kim, G, Lee, Y, Hou, X, Jarhad, D.B, Kim, G, Yu, J, Hyun, Y.E, Kim, W, Gao, Z.-G, Jacobson, K.A, Han, G.W, Stevens, R.C, Jeong, L.S, Choi, S, Cherezov, V. | Deposit date: | 2022-05-16 | Release date: | 2022-08-31 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | GPCR Agonist-to-Antagonist Conversion: Enabling the Design of Nucleoside Functional Switches for the A 2A Adenosine Receptor. J.Med.Chem., 65, 2022
|
|
7T96
| Cryo-EM structure of S2 state ACh-bound M2R-Go signaling complex with a PAM | Descriptor: | 3-amino-5-chloro-N-cyclopropyl-4-methyl-6-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]thieno[2,3-b]pyridine-2-carboxamide, ACETYLCHOLINE, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Xu, J, Wang, Q, Du, Y, Kobilka, B.K. | Deposit date: | 2021-12-18 | Release date: | 2023-01-25 | Last modified: | 2024-02-07 | Method: | ELECTRON MICROSCOPY (3.22 Å) | Cite: | Structural and dynamic insights into supra-physiological activation and allosteric modulation of a muscarinic acetylcholine receptor. Nat Commun, 14, 2023
|
|
5ITE
| 2.2-Angstrom in meso crystal structure of Haloquadratum Walsbyi Bacteriorhodopsin (HwBR) from Octylglucoside (OG) Detergent Micelles | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Bacteriorhodopsin-I, ... | Authors: | Broecker, J, Eger, B.T, Ernst, O.P. | Deposit date: | 2016-03-16 | Release date: | 2017-01-25 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.182 Å) | Cite: | Crystallogenesis of Membrane Proteins Mediated by Polymer-Bounded Lipid Nanodiscs. Structure, 25, 2017
|
|
7T94
| Cryo-EM structure of S1 state ACh-bound M2R-Go signaling complex with a PAM | Descriptor: | 3-amino-5-chloro-N-cyclopropyl-4-methyl-6-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]thieno[2,3-b]pyridine-2-carboxamide, ACETYLCHOLINE, Antibody fragment, ... | Authors: | Xu, J, Wang, Q, Du, Y, Kobilka, B.K. | Deposit date: | 2021-12-17 | Release date: | 2023-01-25 | Last modified: | 2024-02-07 | Method: | ELECTRON MICROSCOPY (3.16 Å) | Cite: | Structural and dynamic insights into supra-physiological activation and allosteric modulation of a muscarinic acetylcholine receptor. Nat Commun, 14, 2023
|
|
8CX5
| Crystal Structure of small molecule alpha,beta-ketoamide 4 covalently bound to K-Ras(G12R) | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, MAGNESIUM ION, ... | Authors: | Zhang, Z, Morstein, J, Ecker, A, Guiley, K.Z, Shokat, K.M. | Deposit date: | 2022-05-19 | Release date: | 2022-08-31 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Chemoselective Covalent Modification of K-Ras(G12R) with a Small Molecule Electrophile. J.Am.Chem.Soc., 144, 2022
|
|
5I6C
| The structure of the eukaryotic purine/H+ symporter, UapA, in complex with Xanthine | Descriptor: | DODECYL-BETA-D-MALTOSIDE, Uric acid-xanthine permease, XANTHINE | Authors: | Alguel, Y, Amillis, S, Leung, J, Lambrinidis, G, Capaldi, S, Scull, N.J, Craven, G, Iwata, S, Armstrong, A, Mikros, E, Diallinas, G, Cameron, A.D, Byrne, B. | Deposit date: | 2016-02-16 | Release date: | 2016-04-27 | Last modified: | 2017-08-30 | Method: | X-RAY DIFFRACTION (3.7 Å) | Cite: | Structure of eukaryotic purine/H(+) symporter UapA suggests a role for homodimerization in transport activity. Nat Commun, 7, 2016
|
|
8CU7
| Crystal structure of A2AAR-StaR2-bRIL in complex with a novel A2a antagonist, LJ-4517 | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2R,3R,4R)-2-[(8P)-6-amino-2-(hex-1-yn-1-yl)-8-(thiophen-2-yl)-9H-purin-9-yl]oxolane-3,4-diol, Adenosine receptor A2a,Soluble cytochrome b562, ... | Authors: | Shiriaeva, A, Park, D.-J, Kim, G, Lee, Y, Hou, X, Jarhad, D.B, Kim, G, Yu, J, Hyun, Y.E, Kim, W, Gao, Z.-G, Jacobson, K.A, Han, G.W, Stevens, R.C, Jeong, L.S, Choi, S, Cherezov, V. | Deposit date: | 2022-05-16 | Release date: | 2022-08-31 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | GPCR Agonist-to-Antagonist Conversion: Enabling the Design of Nucleoside Functional Switches for the A 2A Adenosine Receptor. J.Med.Chem., 65, 2022
|
|
5I6R
| Crystal Structure of srGAP2 F-BARx WT Form-1 | Descriptor: | ACETATE ION, D-MALATE, SLIT-ROBO Rho GTPase-activating protein 2, ... | Authors: | Sporny, M, Guez-Haddad, J, Isupov, M.N, Opatowsky, Y. | Deposit date: | 2016-02-16 | Release date: | 2017-08-30 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structural Basis for srGAP2 Membrane Interactions, and Antagonism by the Human Specific Paralog srGAP2C To Be Published
|
|
8J6K
| Crystal structure of pro-interleukin-18 and caspase-4 complex | Descriptor: | Arginine ADP-riboxanase OspC3, Caspase-4 subunit p10, Caspase-4 subunit p20, ... | Authors: | Sun, Q, Hou, Y.J, Ding, J. | Deposit date: | 2023-04-26 | Release date: | 2023-11-29 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (3.12 Å) | Cite: | Recognition and maturation of IL-18 by caspase-4 noncanonical inflammasome. Nature, 624, 2023
|
|
8J2H
| Crystal structure of a bright green fluorescent protein (StayGold) with single mutation (N137A) in jellyfish Cytaeis uchidae from Biortus | Descriptor: | GLYCEROL, SODIUM ION, StayGold(N137A) | Authors: | Wu, J, Wang, F, Gui, W, Cheng, W, Yang, Y. | Deposit date: | 2023-04-14 | Release date: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structure of a bright green fluorescent protein (StayGold) in jellyfish Cytaeis uchidae from Biortus To Be Published
|
|
4GSS
| HUMAN GLUTATHIONE S-TRANSFERASE P1-1 Y108F MUTANT | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLUTATHIONE S-TRANSFERASE, S-HEXYLGLUTATHIONE | Authors: | Oakley, A, Rossjohn, J, Parker, M. | Deposit date: | 1997-01-20 | Release date: | 1998-01-28 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Multifunctional role of Tyr 108 in the catalytic mechanism of human glutathione transferase P1-1. Crystallographic and kinetic studies on the Y108F mutant enzyme. Biochemistry, 36, 1997
|
|
8D4T
| Mammalian CIV with GDN bound | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, ... | Authors: | Di Trani, J, Rubinstein, J. | Deposit date: | 2022-06-02 | Release date: | 2022-07-06 | Last modified: | 2022-08-24 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structural basis of mammalian complex IV inhibition by steroids. Proc.Natl.Acad.Sci.USA, 119, 2022
|
|
5IB0
| PA4534: acetyl CoA complex | Descriptor: | ACETYL COENZYME *A, GLYCEROL, Uncharacterized protein PA4534 | Authors: | Choe, J, Shin, S. | Deposit date: | 2016-02-22 | Release date: | 2017-03-15 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structure of PA4534 To Be Published
|
|
8D3C
| VWF tubule derived from monomeric D1-A1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, von Willebrand factor | Authors: | Anderson, J.R, Li, J, Springer, T.A, Brown, A. | Deposit date: | 2022-06-01 | Release date: | 2022-07-06 | Last modified: | 2022-10-05 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structures of VWF tubules before and after concatemerization reveal a mechanism of disulfide bond exchange. Blood, 140, 2022
|
|
7TA8
| NMR structure of crosslinked cyclophilin A | Descriptor: | Peptidyl-prolyl cis-trans isomerase A | Authors: | Lu, M, Toptygin, D, Xiang, Y, Shi, Y, Schwieters, C.D, Lipinski, E.C, Ahn, J, Byeon, I.-J.L, Gronenborn, A.M. | Deposit date: | 2021-12-20 | Release date: | 2022-06-01 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | The Magic of Linking Rings: Discovery of a Unique Photoinduced Fluorescent Protein Crosslink. J.Am.Chem.Soc., 144, 2022
|
|
5ICR
| 2.25 Angstrom Resolution Crystal Structure of Fatty-Acid-CoA Ligase (FadD32) from Mycobacterium smegmatis in complex with Inhibitor 5'-O-[(11-phenoxyundecanoyl)sulfamoyl]adenosine. | Descriptor: | 5'-O-[(11-phenoxyundecanoyl)sulfamoyl]adenosine, Acyl-CoA synthase, CHLORIDE ION, ... | Authors: | Minasov, G, Shuvalova, L, Hung, D, Fisher, S.L, Edelstein, J, Kiryukhina, O, Dubrovska, I, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2016-02-23 | Release date: | 2016-04-06 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | 2.25 Angstrom Resolution Crystal Structure of Fatty-Acid-CoA Ligase (FadD32) from Mycobacterium smegmatis in complex with Inhibitor 5'-O-[(11-phenoxyundecanoyl)sulfamoyl]adenosine. To Be Published
|
|
8T14
| ADP-bound Bcs1 (C7 symmetrized) | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Mitochondrial chaperone BCS1 | Authors: | Zhan, J, Xia, D. | Deposit date: | 2023-06-01 | Release date: | 2024-06-05 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (3.18 Å) | Cite: | Conformations of Bcs1L undergoing ATP hydrolysis suggest a concerted translocation mechanism for folded iron-sulfur protein substrate. Nat Commun, 15, 2024
|
|
8TBY
| Apo Bcs1, unsymmetrized | Descriptor: | Mitochondrial chaperone BCS1 | Authors: | Zhan, J, Xia, D. | Deposit date: | 2023-06-29 | Release date: | 2024-06-05 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (4.4 Å) | Cite: | Conformations of Bcs1L undergoing ATP hydrolysis suggest a concerted translocation mechanism for folded iron-sulfur protein substrate. Nat Commun, 15, 2024
|
|
8T5U
| ATP-1 state of Bcs1 (C7 symmetrized) | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Mitochondrial chaperone BCS1 | Authors: | Zhan, J, Xia, D. | Deposit date: | 2023-06-14 | Release date: | 2024-06-05 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (3.13 Å) | Cite: | Conformations of Bcs1L undergoing ATP hydrolysis suggest a concerted translocation mechanism for folded iron-sulfur protein substrate. Nat Commun, 15, 2024
|
|
8T7U
| ADP-bound Bcs1 (unsymmetrized) | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Mitochondrial chaperone BCS1 | Authors: | Zhan, J, Xia, D. | Deposit date: | 2023-06-21 | Release date: | 2024-06-05 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (3.74 Å) | Cite: | Conformations of Bcs1L undergoing ATP hydrolysis suggest a concerted translocation mechanism for folded iron-sulfur protein substrate. Nat Commun, 15, 2024
|
|
8D3D
| VWF tubule derived from dimeric D1-A1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, von Willebrand factor | Authors: | Anderson, J.R, Li, J, Springer, T.A, Brown, A. | Deposit date: | 2022-06-01 | Release date: | 2022-07-06 | Last modified: | 2022-10-05 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Structures of VWF tubules before and after concatemerization reveal a mechanism of disulfide bond exchange. Blood, 140, 2022
|
|