7QFV
| Crystal structure of KLK6 in complex with compound 17a | Descriptor: | KLK6 Activity-Based Probe (Ahx-DPhe-Ser(Z)-Dht-Arg-DPP), Kallikrein-6 | Authors: | Jagtap, P.K.A, Zhang, L, De Vita, E, Tate, E.W, Hennig, J. | Deposit date: | 2021-12-06 | Release date: | 2022-10-26 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | A KLK6 Activity-Based Probe Reveals a Role for KLK6 Activity in Pancreatic Cancer Cell Invasion. J.Am.Chem.Soc., 144, 2022
|
|
7QFT
| Crystal structure of KLK6 in complex with compound 16a | Descriptor: | KLK6 Activity-Based Probe (Ahx-DPhe-Cha-Dht-Arg-DPP), Kallikrein-6 | Authors: | Jagtap, P.K.A, Zhang, L, De Vita, E, Tate, E.W, Hennig, J. | Deposit date: | 2021-12-06 | Release date: | 2022-11-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | A KLK6 Activity-Based Probe Reveals a Role for KLK6 Activity in Pancreatic Cancer Cell Invasion. J.Am.Chem.Soc., 144, 2022
|
|
8VJ7
| GluA2 bound to GYKI-52466 and Glutamate, Inhibited State 2 | Descriptor: | 4-[(5S,8R)-8-methyl-6,7,8,9-tetrahydro-2H,5H-[1,3]dioxolo[4,5-h][2,3]benzodiazepin-5-yl]aniline, GLUTAMIC ACID, Isoform Flip of Glutamate receptor 2 | Authors: | Hale, W.D, Montano Romero, A, Huganir, R.L, Twomey, E.C. | Deposit date: | 2024-01-05 | Release date: | 2024-06-05 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (4.85 Å) | Cite: | Allosteric competition and inhibition in AMPA receptors. Nat.Struct.Mol.Biol., 2024
|
|
8EAQ
| Structure of the full-length IP3R1 channel determined at high Ca2+ | Descriptor: | (9R,11S)-9-({[(1S)-1-HYDROXYHEXADECYL]OXY}METHYL)-2,2-DIMETHYL-5,7,10-TRIOXA-2LAMBDA~5~-AZA-6LAMBDA~5~-PHOSPHAOCTACOSANE-6,6,11-TRIOL, CALCIUM ION, Inositol 1,4,5-trisphosphate receptor type 1, ... | Authors: | Fan, G, Baker, M.R, Terry, L.E, Arige, V, Chen, M, Seryshev, A.B, Baker, M.L, Ludtke, S.J, Yule, D.I, Serysheva, I.I. | Deposit date: | 2022-08-29 | Release date: | 2022-11-23 | Last modified: | 2024-10-09 | Method: | ELECTRON MICROSCOPY (3.26 Å) | Cite: | Conformational motions and ligand-binding underlying gating and regulation in IP 3 R channel. Nat Commun, 13, 2022
|
|
8EAR
| Structure of the full-length IP3R1 channel determined in the presence of Calcium/IP3/ATP | Descriptor: | (9R,11S)-9-({[(1S)-1-HYDROXYHEXADECYL]OXY}METHYL)-2,2-DIMETHYL-5,7,10-TRIOXA-2LAMBDA~5~-AZA-6LAMBDA~5~-PHOSPHAOCTACOSANE-6,6,11-TRIOL, ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, ... | Authors: | Fan, G, Baker, M.R, Terry, L.E, Arige, V, Chen, M, Seryshev, A.B, Baker, M.L, Ludtke, S.J, Yule, D.I, Serysheva, I.I. | Deposit date: | 2022-08-29 | Release date: | 2022-11-23 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Conformational motions and ligand-binding underlying gating and regulation in IP 3 R channel. Nat Commun, 13, 2022
|
|
5TFT
| Structure of cytochrome P450 2D6 (CYP2D6) BACE1 inhibitor complex | Descriptor: | (4S)-4-[2,4-difluoro-5-({[1-(trifluoromethyl)cyclopropyl]amino}methyl)phenyl]-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine, Cytochrome P450 2D6, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Hsu, M.H, Johnson, E.F. | Deposit date: | 2016-09-26 | Release date: | 2017-01-11 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.71 Å) | Cite: | Aminomethyl-Derived Beta Secretase (BACE1) Inhibitors: Engaging Gly230 without an Anilide Functionality. J. Med. Chem., 60, 2017
|
|
7LU8
| |
8VJ6
| GluA2 bound to GYKI-52466 and Glutamate, Inhibited State 1 | Descriptor: | 4-[(5S,8R)-8-methyl-6,7,8,9-tetrahydro-2H,5H-[1,3]dioxolo[4,5-h][2,3]benzodiazepin-5-yl]aniline, Isoform Flip of Glutamate receptor 2 | Authors: | Hale, W.D, Montano Romero, A, Huganir, R.L, Twomey, E.C. | Deposit date: | 2024-01-05 | Release date: | 2024-06-05 | Last modified: | 2024-10-09 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Allosteric competition and inhibition in AMPA receptors. Nat.Struct.Mol.Biol., 2024
|
|
7MSF
| MS2 PROTEIN CAPSID/RNA COMPLEX | Descriptor: | 5'-R(*UP*CP*GP*CP*CP*AP*AP*CP*AP*GP*GP*CP*GP*G)-3', MS2 PROTEIN CAPSID | Authors: | Rowsell, S, Stonehouse, N.J, Convery, M.A, Adams, C.J, Ellington, A.D, Hirao, I, Peabody, D.S, Stockley, P.G, Phillips, S.E.V. | Deposit date: | 1998-05-20 | Release date: | 1998-11-11 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structures of a series of RNA aptamers complexed to the same protein target. Nat.Struct.Biol., 5, 1998
|
|
6VEN
| |
4R1T
| Crystal structure of Petunia hydrida cinnamoyl-CoA reductase | Descriptor: | cinnamoyl CoA reductase, molecular iodine | Authors: | Noel, J.P, Louie, G.V, Bowman, M.E, Bomati, E.K. | Deposit date: | 2014-08-07 | Release date: | 2014-10-01 | Last modified: | 2014-11-12 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural Studies of Cinnamoyl-CoA Reductase and Cinnamyl-Alcohol Dehydrogenase, Key Enzymes of Monolignol Biosynthesis. Plant Cell, 26, 2014
|
|
5IJ0
| Cryo EM density of microtubule assembled from human TUBB3 | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Ti, S.-C, Pamula, M.C, Howes, S.C, Duellberg, C, Nicholas, C.I, Kleiner, R.E, Forth, S, Surrey, T, Nogales, E, Kapoor, T.M. | Deposit date: | 2016-03-01 | Release date: | 2016-04-20 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Mutations in Human Tubulin Proximal to the Kinesin-Binding Site Alter Dynamic Instability at Microtubule Plus- and Minus-Ends. Dev.Cell, 37, 2016
|
|
5EUJ
| PYRUVATE DECARBOXYLASE FROM ZYMOBACTER PALMAE | Descriptor: | 1,2-ETHANEDIOL, MAGNESIUM ION, Pyruvate decarboxylase, ... | Authors: | Buddrus, L, Crennell, S.J, Leak, D.J, Danson, M.J, Andrews, E.S.V, Arcus, V.L. | Deposit date: | 2015-11-18 | Release date: | 2016-09-14 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Crystal structure of pyruvate decarboxylase from Zymobacter palmae. Acta Crystallogr.,Sect.F, 72, 2016
|
|
8DXS
| |
2R69
| Crystal structure of Fab 1A1D-2 complexed with E-DIII of Dengue virus at 3.8 angstrom resolution | Descriptor: | Heavy chain of 1A1D-2, Light chain of 1A1D-2, Major envelope protein E | Authors: | Lok, S.M, Kostyuchenko, V.K, Nybakken, G.E, Holdaway, H.A, Battisti, A.J, Sukupolvi-petty, S, Sedlak, D, Fremont, D.H, Chipman, P.R, Roehrig, J.T, Diamond, M.S, Kuhn, R.J, Rossmann, M.G. | Deposit date: | 2007-09-05 | Release date: | 2007-12-25 | Last modified: | 2018-01-24 | Method: | X-RAY DIFFRACTION (3.8 Å) | Cite: | Binding of a neutralizing antibody to dengue virus alters the arrangement of surface glycoproteins. Nat.Struct.Mol.Biol., 15, 2008
|
|
1HMD
| THE STRUCTURE OF DEOXY AND OXY HEMERYTHRIN AT 2.0 ANGSTROMS RESOLUTION | Descriptor: | ACETYL GROUP, HEMERYTHRIN, MU-OXO-DIIRON | Authors: | Holmes, M.A, Letrong, I, Turley, S, Sieker, L.C, Stenkamp, R.E. | Deposit date: | 1990-10-18 | Release date: | 1992-01-15 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structures of deoxy and oxy hemerythrin at 2.0 A resolution. J.Mol.Biol., 218, 1991
|
|
8DW9
| |
7REF
| Structure of MS3494 from Mycobacterium smegmatis | Descriptor: | BROMIDE ION, MS3494 | Authors: | Kent, J.E, Aleshin, A.E, Zhang, L, Niederweis, M, Marassi, F.M. | Deposit date: | 2021-07-12 | Release date: | 2021-08-18 | Last modified: | 2022-06-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | A periplasmic cinched protein is required for siderophore secretion and virulence of Mycobacterium tuberculosis. Nat Commun, 13, 2022
|
|
5F34
| Crystal structure of membrane associated PatA from Mycobacterium smegmatis in complex with S-hexadecyl Coenzyme A - P21 space group | Descriptor: | Phosphatidylinositol mannoside acyltransferase, [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3~{S})-4-[[3-(2-hexadecylsulfanylethylamino)-3-oxidanylidene-propyl]amino]-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-butyl] hydrogen phosphate | Authors: | Albesa-Jove, D, Svetlikova, Z, Carreras-Gonzalez, A, Tersa, M, Sancho-Vaello, E, Cifuente, J.O, Mikusova, K, Guerin, M.E. | Deposit date: | 2015-12-02 | Release date: | 2016-03-09 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.281 Å) | Cite: | Structural basis for selective recognition of acyl chains by the membrane-associated acyltransferase PatA. Nat Commun, 7, 2016
|
|
1ED3
| CRYSTAL STRUCTURE OF RAT MINOR HISTOCOMPATIBILITY ANTIGEN COMPLEX RT1-AA/MTF-E. | Descriptor: | BETA-2-MICROGLOBULIN, CLASS I MAJOR HISTOCOMPATIBILITY ANTIGEN RT1-AA, PEPTIDE MTF-E (13N3E) | Authors: | Speir, J.A, Stevens, J, Joly, E, Butcher, G.W, Wilson, I.A. | Deposit date: | 2000-01-26 | Release date: | 2001-02-28 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Two different, highly exposed, bulged structures for an unusually long peptide bound to rat MHC class I RT1-Aa. Immunity, 14, 2001
|
|
3GQQ
| Crystal structure of the human retinal protein 4 (unc-119 homolog A). Northeast Structural Genomics Consortium target HR3066a | Descriptor: | Protein unc-119 homolog A, UNKNOWN LIGAND | Authors: | Vorobiev, S.M, Chen, Y, Seetharaman, J, Shastry, R, Foote, E.L, Ciccosanti, C, Sahdev, S, Xiao, R, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2009-03-24 | Release date: | 2009-04-07 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.945 Å) | Cite: | Crystal structure of the human retinal protein 4 (unc-119 homolog A). To be Published
|
|
8E5W
| Crystal structure of dehydroalanine Hip1 | Descriptor: | DI(HYDROXYETHYL)ETHER, PALMITIC ACID, Protease, ... | Authors: | Goldfarb, N.E, Brooks, C.L, Ostrov, D.A. | Deposit date: | 2022-08-22 | Release date: | 2022-12-07 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | 2.1 angstrom crystal structure of the Mycobacterium tuberculosis serine hydrolase, Hip1, in its anhydro-form (Anhydrohip1). Biochem.Biophys.Res.Commun., 630, 2022
|
|
8EBO
| Homopurine parallel G-quadruplex from human chromosome 7 stabilized by K+ ions | Descriptor: | COBALT (III) ION, DNA (5'-D(*GP*AP*GP*GP*GP*AP*GP*GP*GP*AP*GP*GP*GP*AP*AP*AP*AP*GP*GP*GP*GP*A)-3'), N-METHYLMESOPORPHYRIN, ... | Authors: | Chen, E.V, Yatsunyk, L.A. | Deposit date: | 2022-08-31 | Release date: | 2022-12-28 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Homopurine guanine-rich sequences in complex with N-methyl mesoporphyrin IX form parallel G-quadruplex dimers and display a unique symmetry tetrad. Bioorg.Med.Chem., 77, 2022
|
|
8UKD
| |
5AQO
| Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 6-METHYLQUINAZOLIN-4-AMINE, BAG FAMILY MOLECULAR CHAPERONE REGULATOR 1, ... | Authors: | Jones, A.M, Westwood, I.M, Osborne, J.D, Matthews, T.P, Cheeseman, M.D, Rowlands, M.G, Jeganathan, F, Burke, R, Lee, D, Kadi, N, Liu, M, Richards, M, McAndrew, C, Yahya, N, Dobson, S.E, Jones, K, Workman, P, Collins, I, van Montfort, R.L.M. | Deposit date: | 2015-09-22 | Release date: | 2016-10-05 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | A fragment-based approach applied to a highly flexible target: Insights and challenges towards the inhibition of HSP70 isoforms. Sci Rep, 6, 2016
|
|