8HO4
| Falcilysin in complex with MMV000848 | Descriptor: | (2R)-1-(9H-carbazol-9-yl)-3-(cyclopentylamino)propan-2-ol, 1,2-ETHANEDIOL, Falcilysin, ... | Authors: | Lin, J.Q, Chung, Z, Lescar, J. | Deposit date: | 2022-12-09 | Release date: | 2023-12-20 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Identification of an inhibitory pocket in falcilysin provides a new avenue for malaria drug development. Cell Chem Biol, 31, 2024
|
|
1W3S
| The crystal structure of RecO from Deinococcus radiodurans. | Descriptor: | HYPOTHETICAL PROTEIN DR0819, ZINC ION | Authors: | Leiros, I, Timmins, J, Hall, D.R, Leonard, G.A, McSweeney, S.M. | Deposit date: | 2004-07-18 | Release date: | 2005-02-23 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal Structure and DNA-Binding Analysis of Reco from Deinococcus Radiodurans Embo J., 24, 2005
|
|
1VSD
| ASV INTEGRASE CORE DOMAIN WITH MG(II) COFACTOR AND HEPES LIGAND, HIGH MG CONCENTRATION FORM | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, INTEGRASE, MAGNESIUM ION | Authors: | Bujacz, G, Jaskolski, M, Alexandratos, J, Wlodawer, A. | Deposit date: | 1995-11-29 | Release date: | 1996-04-03 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The catalytic domain of avian sarcoma virus integrase: conformation of the active-site residues in the presence of divalent cations. Structure, 4, 1996
|
|
1WA8
| Solution Structure of the CFP-10.ESAT-6 Complex. Major Virulence Determinants of Pathogenic Mycobacteria | Descriptor: | 6 KDA EARLY SECRETORY ANTIGENIC TARGET (ESAT-6), ESAT-6 LIKE PROTEIN ESXB | Authors: | Renshaw, P.S, Lightbody, K.L, Veverka, V, Muskett, F.W, Kelly, G, Frenkiel, T.A, Gordon, S.V, Hewinson, R.G, Burke, B, Norman, J, Williamson, R.A, Carr, M.D, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2004-10-25 | Release date: | 2005-06-27 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structure and Function of the Complex Formed by the Tuberculosis Virulence Factors Cfp-10 and Esat-6 Embo J., 24, 2005
|
|
6DHG
| RT XFEL structure of Photosystem II 150 microseconds after the second illumination at 2.5 Angstrom resolution | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | Authors: | Kern, J, Chatterjee, R, Young, I.D, Fuller, F.D, Lassalle, L, Ibrahim, M, Gul, S, Fransson, T, Brewster, A.S, Alonso-Mori, R, Hussein, R, Zhang, M, Douthit, L, de Lichtenberg, C, Cheah, M.H, Shevela, D, Wersig, J, Seufert, I, Sokaras, D, Pastor, E, Weninger, C, Kroll, T, Sierra, R.G, Aller, P, Butryn, A, Orville, A.M, Liang, M, Batyuk, A, Koglin, J.E, Carbajo, S, Boutet, S, Moriarty, N.W, Holton, J.M, Dobbek, H, Adams, P.D, Bergmann, U, Sauter, N.K, Zouni, A, Messinger, J, Yano, J, Yachandra, V.K. | Deposit date: | 2018-05-20 | Release date: | 2018-11-21 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structures of the intermediates of Kok's photosynthetic water oxidation clock. Nature, 563, 2018
|
|
4XG4
| Crystal structure of an inhibitor-bound Syk | Descriptor: | (3R)-1-{[1-(5-fluoro-2-{[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]amino}pyrimidin-4-yl)-4-methyl-1H-pyrrol-3-yl]methyl}pyrrolidin-3-ol, Tyrosine-protein kinase SYK | Authors: | Lee, S.J, Choi, J, Han, B.G, Song, H, Koh, J.S, Lee, B.I. | Deposit date: | 2014-12-30 | Release date: | 2015-12-30 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structures of spleen tyrosine kinase in complex with novel inhibitors: structural insights for design of anticancer drugs Febs J., 283, 2016
|
|
6DHE
| RT XFEL structure of the dark-stable state of Photosystem II (0F, S1-rich) at 2.05 Angstrom resolution | Descriptor: | (6'R,11cis,11'cis,13cis,15cis)-4',5'-didehydro-5',6'-dihydro-beta,beta-carotene, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ... | Authors: | Kern, J, Chatterjee, R, Young, I.D, Fuller, F.D, Lassalle, L, Ibrahim, M, Gul, S, Fransson, T, Brewster, A.S, Alonso-Mori, R, Hussein, R, Zhang, M, Douthit, L, de Lichtenberg, C, Cheah, M.H, Shevela, D, Wersig, J, Seufert, I, Sokaras, D, Pastor, E, Weninger, C, Kroll, T, Sierra, R.G, Aller, P, Butryn, A, Orville, A.M, Liang, M, Batyuk, A, Koglin, J.E, Carbajo, S, Boutet, S, Moriarty, N.W, Holton, J.M, Dobbek, H, Adams, P.D, Bergmann, U, Sauter, N.K, Zouni, A, Messinger, J, Yano, J, Yachandra, V.K. | Deposit date: | 2018-05-20 | Release date: | 2018-11-21 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structures of the intermediates of Kok's photosynthetic water oxidation clock. Nature, 563, 2018
|
|
4XG9
| Crystal structure of an inhibitor-bound Syk | Descriptor: | 1-[(1-{2-[(3-chloro-1,2-dimethyl-1H-indol-5-yl)amino]pyrimidin-4-yl}-3-methyl-1H-pyrazol-4-yl)methyl]azetidin-3-ol, Tyrosine-protein kinase SYK | Authors: | Lee, S.J, Choi, J, Han, B.G, Song, H, Koh, J.S, Lee, B.I. | Deposit date: | 2014-12-30 | Release date: | 2015-12-30 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.91 Å) | Cite: | Crystal structures of spleen tyrosine kinase in complex with novel inhibitors: structural insights for design of anticancer drugs Febs J., 283, 2016
|
|
4XDE
| Coagulation Factor XII protease domain crystal structure | Descriptor: | CITRATE ANION, Coagulation factor XII, ISOPROPYL ALCOHOL | Authors: | Pathak, M, Wilmann, P, Awford, J, Li, C, Fisher, P.M, Dreveny, I, Dekker, L.V, Emsley, J. | Deposit date: | 2014-12-19 | Release date: | 2015-02-04 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Coagulation factor XII protease domain crystal structure. J.Thromb.Haemost., 13, 2015
|
|
2GAO
| Crystal Structure of Human SAR1a in Complex With GDP | Descriptor: | GTP-binding protein SAR1a, GUANOSINE-5'-DIPHOSPHATE, UNKNOWN ATOM OR ION | Authors: | Wang, J, Dimov, S, Tempel, W, Yaniw, D, Arrowsmith, C, Edwards, A, Sundstrom, M, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC) | Deposit date: | 2006-03-09 | Release date: | 2006-03-21 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structure of Human SAR1a in Complex With GDP To be Published
|
|
2GF9
| Crystal structure of human RAB3D in complex with GDP | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Ras-related protein Rab-3D, ... | Authors: | Hong, B, Wang, J, Shen, L, Tempel, W, Landry, R, Arrowsmith, C.H, Edwards, A.M, Sundstrom, M, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC) | Deposit date: | 2006-03-21 | Release date: | 2006-05-02 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Crystal structure of human RAB3D in complex with GDP To be Published
|
|
2G1L
| Crystal structure of the FHA domain of human kinesin family member C | Descriptor: | CHLORIDE ION, Kinesin-like protein KIF1C, NICKEL (II) ION, ... | Authors: | Wang, J, Tempel, W, Shen, Y, Shen, L, Arrowsmith, C, Edwards, A, Sundstrom, M, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC) | Deposit date: | 2006-02-14 | Release date: | 2006-02-28 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.602 Å) | Cite: | Crystal structure of the FHA domain of human kinesin family member C to be published
|
|
1WCV
| |
4XX5
| Structure of PI3K gamma in complex with an inhibitor | Descriptor: | N-[5-(5-methoxypyridin-3-yl)-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | Authors: | Collier, P.N, Messersmith, D, Le Tiran, A, Bandarage, U.K, Boucher, C, Come, J, Cottrell, K.M, Damagnez, V, Doran, J.D, Griffith, J.P, Khare-Pandit, S, Krueger, E.B, Ledeboer, M.W, Ledford, B, Liao, Y, Mahajan, S, Moody, C.S, Wang, T, Xu, J, Aronov, A.M. | Deposit date: | 2015-01-29 | Release date: | 2015-08-05 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.76 Å) | Cite: | Structure of PI3K gamma in complex with an inhibitor To Be Published
|
|
8IOT
| Structure of the SARS-CoV-2 XBB.1 spike glycoprotein (closed-2 state) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | Authors: | Anraku, Y, Kita, S, Yajima, H, Sasaki, J, Sasaki-Tabata, K, Maenaka, K, Hashiguchi, T. | Deposit date: | 2023-03-13 | Release date: | 2023-05-24 | Last modified: | 2023-07-19 | Method: | ELECTRON MICROSCOPY (2.51 Å) | Cite: | Virological characteristics of the SARS-CoV-2 XBB variant derived from recombination of two Omicron subvariants. Nat Commun, 14, 2023
|
|
4XZ4
| Structure of PI3K gamma in complex with an inhibitor | Descriptor: | N-[5-(6-methoxypyrazin-2-yl)-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | Authors: | Collier, P.N, Messersmith, D, Le Tiran, A, Bandarage, U.K, Boucher, C, Come, J, Cottrell, K.M, Damagnez, V, Doran, J.D, Griffith, J.P, Khare-Pandit, S, Krueger, E.B, Ledeboer, M.W, Ledford, B, Liao, Y, Mahajan, S, Moody, C.S, Wang, T, Xu, J, Aronov, A.M. | Deposit date: | 2015-02-03 | Release date: | 2016-02-03 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure of PI3K gamma in complex with an inhibitor To Be Published
|
|
8IOU
| Structure of SARS-CoV-2 XBB.1 spike glycoprotein in complex with ACE2 (1-up state) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, ... | Authors: | Anraku, Y, Kita, S, Yajima, H, Sasaki, J, Sasaki-Tabata, K, Maenaka, K, Hashiguchi, T. | Deposit date: | 2023-03-13 | Release date: | 2023-05-24 | Last modified: | 2023-07-19 | Method: | ELECTRON MICROSCOPY (3.18 Å) | Cite: | Virological characteristics of the SARS-CoV-2 XBB variant derived from recombination of two Omicron subvariants. Nat Commun, 14, 2023
|
|
8IOS
| Structure of the SARS-CoV-2 XBB.1 spike glycoprotein (closed-1 state) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | Authors: | Anraku, Y, Kita, S, Yajima, H, Sasaki, J, Sasaki-Tabata, K, Maenaka, K, Hashiguchi, T. | Deposit date: | 2023-03-13 | Release date: | 2023-05-24 | Last modified: | 2023-07-19 | Method: | ELECTRON MICROSCOPY (2.5 Å) | Cite: | Virological characteristics of the SARS-CoV-2 XBB variant derived from recombination of two Omicron subvariants. Nat Commun, 14, 2023
|
|
8IOV
| Structure of SARS-CoV-2 XBB.1 spike RBD in complex with ACE2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, ... | Authors: | Anraku, Y, Kita, S, Yajima, H, Sasaki, J, Sasaki-Tabata, K, Maenaka, K, Hashiguchi, T. | Deposit date: | 2023-03-13 | Release date: | 2023-05-24 | Last modified: | 2023-07-19 | Method: | ELECTRON MICROSCOPY (3.29 Å) | Cite: | Virological characteristics of the SARS-CoV-2 XBB variant derived from recombination of two Omicron subvariants. Nat Commun, 14, 2023
|
|
5JAI
| Yersinia pestis FabV variant T276G | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DIMETHYL SULFOXIDE, ... | Authors: | Pschibul, A, Kuper, J, HIrschbeck, M, Kisker, C. | Deposit date: | 2016-04-12 | Release date: | 2016-05-25 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Selectivity of Pyridone- and Diphenyl Ether-Based Inhibitors for the Yersinia pestis FabV Enoyl-ACP Reductase. Biochemistry, 55, 2016
|
|
8BWU
| Crystal structure of SARS-CoV-2 nsp14 methyltransferase domain in complex with the SS148 inhibitor | Descriptor: | (2~{S})-2-azanyl-4-[[(2~{S},3~{S},4~{R},5~{R})-5-(4-azanyl-5-cyano-pyrrolo[2,3-d]pyrimidin-7-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]butanoic acid, Transcription factor ETV6,Proofreading exoribonuclease nsp14, ZINC ION | Authors: | Konkolova, E, Klima, M, Boura, E, Jin, J, Kaniskan, H.U, Han, Y, Vedadi, M. | Deposit date: | 2022-12-07 | Release date: | 2023-10-11 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.36 Å) | Cite: | Drug Discovery in Low Data Regimes: Leveraging a Computational Pipeline for the Discovery of Novel SARS-CoV-2 Nsp14-MTase Inhibitors. Biorxiv, 2024
|
|
9PAP
| |
8UT4
| CryoEM structure of A/Michigan/45/2015 H1 in complex with flu HA central stem VH1-18 antibody 09-1B12 | Descriptor: | 09-1B12 HC Fv, 09-1B12 LC Fv, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Huang, J, Han, J, Ward, A.B. | Deposit date: | 2023-10-30 | Release date: | 2024-05-08 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Eliciting a single amino acid change by vaccination generates antibody protection against group 1 and group 2 influenza A viruses. Immunity, 57, 2024
|
|
8UT9
| CryoEM structure of A/Shanghai/1/2013 H7 in complex with polyclonal Fab from mice immunized with H7 stem nanoparticles-28 days post immunization | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Huang, J, Han, J, Ward, A.B. | Deposit date: | 2023-10-30 | Release date: | 2024-05-08 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Eliciting a single amino acid change by vaccination generates antibody protection against group 1 and group 2 influenza A viruses. Immunity, 57, 2024
|
|
8UT8
| CryoEM structure of A/Shanghai/1/2013 H7 in complex with polyclonal Fab from mice immunized with H7 stem nanoparticles-15 days post-immunization | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Huang, J, Han, J, Ward, A.B. | Deposit date: | 2023-10-30 | Release date: | 2024-05-08 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Eliciting a single amino acid change by vaccination generates antibody protection against group 1 and group 2 influenza A viruses. Immunity, 57, 2024
|
|