6Y9Y
| Structure of the native full-length HIV-1 capsid protein in complex with Cyclophilin A from helical assembly (-7,13) | Descriptor: | Gag-Pol polyprotein, Peptidyl-prolyl cis-trans isomerase A | Authors: | Ni, T, Gerard, S, Zhao, G, Ning, J, Zhang, P. | Deposit date: | 2020-03-10 | Release date: | 2020-08-19 | Last modified: | 2021-02-10 | Method: | ELECTRON MICROSCOPY (6.1 Å) | Cite: | Intrinsic curvature of the HIV-1 CA hexamer underlies capsid topology and interaction with cyclophilin A. Nat.Struct.Mol.Biol., 27, 2020
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6YAC
| Plant PSI-ferredoxin supercomplex | Descriptor: | (1~{S})-3,5,5-trimethyl-4-[(1~{E},3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-[(4~{S})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-ol, (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, ... | Authors: | Caspy, I, Nelson, N, Shkolnisky, Y, Klaiman, D, Sheinker, A. | Deposit date: | 2020-03-12 | Release date: | 2020-09-30 | Last modified: | 2020-10-21 | Method: | ELECTRON MICROSCOPY (2.5 Å) | Cite: | The structure of a triple complex of plant photosystem I with ferredoxin and plastocyanin. Nat.Plants, 6, 2020
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2MWZ
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8AXK
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6DUD
| JAK3 with cyanamide CP12 | Descriptor: | N-[(1S)-6-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,3-dihydro-1H-inden-1-yl]imidoformamide, SULFATE ION, Tyrosine-protein kinase JAK3 | Authors: | Vajdos, F.F. | Deposit date: | 2018-06-20 | Release date: | 2018-11-28 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Identification of Cyanamide-Based Janus Kinase 3 (JAK3) Covalent Inhibitors. J. Med. Chem., 61, 2018
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6YDK
| Substrate-free P146A variant of beta-phosphoglucomutase from Lactococcus lactis | Descriptor: | Beta-phosphoglucomutase, MAGNESIUM ION | Authors: | Wood, H.P, Cruz-Navarrete, F.A, Baxter, N.J, Trevitt, C.R, Robertson, A.J, Dix, S.R, Hounslow, A.M, Cliff, M.J, Waltho, J.P. | Deposit date: | 2020-03-20 | Release date: | 2020-10-28 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Allomorphy as a mechanism of post-translational control of enzyme activity. Nat Commun, 11, 2020
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1XGW
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6J8E
| Human Nav1.2-beta2-KIIIA ternary complex | Descriptor: | (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Pan, X, Li, Z, Huang, X, Huang, G, Yan, N. | Deposit date: | 2019-01-18 | Release date: | 2019-02-27 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Molecular basis for pore blockade of human Na+channel Nav1.2 by the mu-conotoxin KIIIA. Science, 363, 2019
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6DQW
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4PTE
| Structure of a carvoxamide compound (15) (N-[4-(ISOQUINOLIN-7-YL)PYRIDIN-2-YL]CYCLOPROPANECARBOXAMIDE) to GSK3b | Descriptor: | Glycogen synthase kinase-3 beta, N-[4-(isoquinolin-7-yl)pyridin-2-yl]cyclopropanecarboxamide | Authors: | Lewis, H.A, Sivaprakasam, P, Kish, K, Pokross, M, Dubowchik, G.M. | Deposit date: | 2014-03-10 | Release date: | 2015-04-08 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.033 Å) | Cite: | Discovery of new acylaminopyridines as GSK-3 inhibitors by a structure guided in-depth exploration of chemical space around a pyrrolopyridinone core. Bioorg.Med.Chem.Lett., 25, 2015
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2MWO
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1XCU
| oligonucleotid/drug complex | Descriptor: | 1,5-BIS[3-(DIETHYLAMINO)PROPIONAMIDO]ANTHRACENE-9,10-DIONE, 5'-D(*CP*GP*TP*AP*CP*G)-3', BARIUM ION, ... | Authors: | Valls, N, Steiner, R.A, Wright, G, Murshudov, G.N, Subirana, J.A. | Deposit date: | 2004-09-03 | Release date: | 2005-07-19 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Variable role of ions in two drug intercalation complexes of DNA J.Biol.Inorg.Chem., 10, 2005
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2DV0
| Human Aldose Reductase complexed with zopolrestat after 6 days soaking(6days_soaked_2) | Descriptor: | 3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Steuber, H, Heine, A, Klebe, G. | Deposit date: | 2006-07-28 | Release date: | 2006-10-03 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Expect the Unexpected or Caveat for Drug Designers: Multiple Structure Determinations Using Aldose Reductase Crystals Treated under Varying Soaking and Co-crystallisation Conditions J.Mol.Biol., 363, 2006
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6YDJ
| P146A variant of beta-phosphoglucomutase from Lactococcus lactis in complex with glucose 6-phosphate and trifluoromagnesate | Descriptor: | 1,2-ETHANEDIOL, 1,3-PROPANDIOL, 6-O-phosphono-beta-D-glucopyranose, ... | Authors: | Wood, H.P, Cruz-Navarrete, F.A, Baxter, N.J, Trevitt, C.R, Robertson, A.J, Dix, S.R, Hounslow, A.M, Cliff, M.J, Waltho, J.P. | Deposit date: | 2020-03-20 | Release date: | 2020-10-28 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.04 Å) | Cite: | Allomorphy as a mechanism of post-translational control of enzyme activity. Nat Commun, 11, 2020
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6YG9
| CRYSTAL STRUCTURE OF HUMAN SERUM ALBUMIN (HSA) IN COMPLEX WITH GN-07. | Descriptor: | 20-[[(2~{S})-5-[2-[2-[2-[2-[2-[2-(diethylamino)-2-oxidanylidene-ethoxy]ethoxy]ethylamino]-2-oxidanylidene-ethoxy]ethoxy]ethylamino]-1-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]amino]-20-oxidanylidene-icosanoic acid, MYRISTIC ACID, Serum albumin | Authors: | Schreuder, H.A, Liesum, A. | Deposit date: | 2020-03-27 | Release date: | 2021-01-13 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Triantennary GalNAc Molecular Imaging Probes for Monitoring Hepatocyte Function in a Rat Model of Nonalcoholic Steatohepatitis. Adv Sci, 7, 2020
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6D64
| Crystal Structure of Human CD1b in Complex with POPC | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 1,2-ETHANEDIOL, Beta-2-microglobulin, ... | Authors: | Shahine, A.E, Rossjohn, J. | Deposit date: | 2018-04-20 | Release date: | 2019-01-16 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | A T-cell receptor escape channel allows broad T-cell response to CD1b and membrane phospholipids. Nat Commun, 10, 2019
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6JLH
| Structure of SCGN in complex with a Snap25 peptide | Descriptor: | CALCIUM ION, CHLORIDE ION, Secretagogin, ... | Authors: | Qin, J, Sun, Q, Jia, D. | Deposit date: | 2019-03-05 | Release date: | 2020-03-11 | Last modified: | 2020-04-08 | Method: | X-RAY DIFFRACTION (2.37 Å) | Cite: | Structural and mechanistic insights into secretagogin-mediated exocytosis. Proc.Natl.Acad.Sci.USA, 117, 2020
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6YQ2
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4EEE
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6DB4
| JAK3 with Cyanamide CP34 | Descriptor: | N-[(1S)-6-(5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,3-dihydro-1H-inden-1-yl]imidoformamide, Tyrosine-protein kinase JAK3 | Authors: | Vajdos, F.F. | Deposit date: | 2018-05-02 | Release date: | 2018-11-28 | Last modified: | 2019-05-01 | Method: | X-RAY DIFFRACTION (1.662 Å) | Cite: | Identification of Cyanamide-Based Janus Kinase 3 (JAK3) Covalent Inhibitors. J. Med. Chem., 61, 2018
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6Y9W
| Structure of the native full-length HIV-1 capsid protein in complex with Cyclophilin A from helical assembly (-13,8) | Descriptor: | Gag-Pol polyprotein, Peptidyl-prolyl cis-trans isomerase A | Authors: | Ni, T, Gerard, S, Zhao, G, Ning, J, Zhang, P. | Deposit date: | 2020-03-10 | Release date: | 2020-08-19 | Last modified: | 2021-02-10 | Method: | ELECTRON MICROSCOPY (4.1 Å) | Cite: | Intrinsic curvature of the HIV-1 CA hexamer underlies capsid topology and interaction with cyclophilin A. Nat.Struct.Mol.Biol., 27, 2020
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4PTG
| Structure of a carboxamine compound (26) (2-{2-[(CYCLOPROPYLCARBONYL)AMINO]PYRIDIN-4-YL}-4-METHOXYPYRIMIDINE-5-CARBOXAMIDE) to GSK3b | Descriptor: | 2-{2-[(cyclopropylcarbonyl)amino]pyridin-4-yl}-4-methoxypyrimidine-5-carboxamide, Glycogen synthase kinase-3 beta | Authors: | Lewis, H.A, Sivaprakasam, P, Kish, K, Pokross, M, Dubowchik, G.M. | Deposit date: | 2014-03-10 | Release date: | 2015-04-08 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.361 Å) | Cite: | Discovery of new acylaminopyridines as GSK-3 inhibitors by a structure guided in-depth exploration of chemical space around a pyrrolopyridinone core. Bioorg.Med.Chem.Lett., 25, 2015
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8B2I
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3R6Y
| Crystal structure of chymotrypsin-treated aspartase from Bacillus sp. YM55-1 | Descriptor: | Aspartase, CALCIUM ION | Authors: | Fibriansah, G, Puthan Veetil, V, Poelarends, G.J, Thunnissen, A.-M.W.H. | Deposit date: | 2011-03-22 | Release date: | 2011-07-13 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural basis for the catalytic mechanism of aspartate ammonia lyase. Biochemistry, 50, 2011
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3R3Q
| Crystal structure of the yeast Vps23 UEV domain | Descriptor: | ACETATE ION, CHLORIDE ION, IMIDAZOLE, ... | Authors: | Ren, X, Hurley, J.H. | Deposit date: | 2011-03-16 | Release date: | 2011-05-04 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Structural basis for endosomal recruitment of ESCRT-I by ESCRT-0 in yeast. Embo J., 30, 2011
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