7K3G
 
 | | SARS-CoV-2 Envelope Protein Transmembrane Domain: Pentameric Structure Determined by Solid-State NMR | | Descriptor: | Envelope small membrane protein | | Authors: | Mandala, V.S, Hong, M, McKay, M.J, Shcherbakov, A.S, Dregni, A.J. | | Deposit date: | 2020-09-11 | | Release date: | 2020-09-30 | | Last modified: | 2024-05-15 | | Method: | SOLID-STATE NMR | | Cite: | Structure and drug binding of the SARS-CoV-2 envelope protein transmembrane domain in lipid bilayers.
Nat.Struct.Mol.Biol., 27, 2020
|
|
7T4P
 | | CryoEM structure of Methylococcus capsulatus (Bath) pMMO treated with potassium cyanide and copper in a native lipid nanodisc at 3.62 Angstrom resolution | | Descriptor: | 1,2-DIDECANOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-dihexanoyl-sn-glycero-3-phosphocholine, Ammonia monooxygenase/methane monooxygenase, ... | | Authors: | Koo, C.W, Rosenzweig, A.C. | | Deposit date: | 2021-12-10 | | Release date: | 2022-03-30 | | Last modified: | 2024-02-28 | | Method: | ELECTRON MICROSCOPY (3.62 Å) | | Cite: | Recovery of particulate methane monooxygenase structure and activity in a lipid bilayer.
Science, 375, 2022
|
|
5K95
 | |
1C3E
 | | NEW INSIGHTS INTO INHIBITOR DESIGN FROM THE CRYSTAL STRUCTURE AND NMR STUDIES OF E. COLI GAR TRANSFORMYLATE IN COMPLEX WITH BETA-GAR AND 10-FORMYL-5,8,10-TRIDEAZAFOLIC ACID. | | Descriptor: | 2-{4-[2-(2-AMINO-4-HYDROXY-QUINAZOLIN-6-YL)-1-CARBOXY-ETHYL]-BENZOYLAMINO}-PENTANEDIOIC ACID, GLYCINAMIDE RIBONUCLEOTIDE, GLYCINAMIDE RIBONUCLEOTIDE TRANSFORMYLASE | | Authors: | Greasley, S.E, Yamashita, M.M, Cai, H, Benkovic, S.J, Boger, D.L, Wilson, I.A. | | Deposit date: | 1999-07-27 | | Release date: | 1999-12-29 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | New insights into inhibitor design from the crystal structure and NMR studies of Escherichia coli GAR transformylase in complex with beta-GAR and 10-formyl-5,8,10-trideazafolic acid.
Biochemistry, 38, 1999
|
|
6FC4
 | |
3M5L
 | | Crystal structure of HCV NS3/4A protease in complex with ITMN-191 | | Descriptor: | (2R,6S,12Z,13aS,14aR,16aS)-6-[(tert-butoxycarbonyl)amino]-14a-[(cyclopropylsulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8 ,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-2-yl 4-fluoro-2H-isoindole-2-carboxylate, NS3/4A, SULFATE ION, ... | | Authors: | Schiffer, C.A, Romano, K.P. | | Deposit date: | 2010-03-12 | | Release date: | 2010-11-24 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Drug resistance against HCV NS3/4A inhibitors is defined by the balance of substrate recognition versus inhibitor binding.
Proc.Natl.Acad.Sci.USA, 107, 2010
|
|
6T6F
 | | Crystal structure of human calmodulin-dependent protein kinase 1D (CAMK1D) bound to compound 8 (CS275) | | Descriptor: | 2-[(3~{S})-3-azanylpiperidin-1-yl]-4-[[3-(trifluoromethyl)phenyl]amino]pyrimidine-5-carboxamide, Calcium/calmodulin-dependent protein kinase type 1D | | Authors: | Sorrell, F, Kraemer, A, Butterworth, S, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2019-10-18 | | Release date: | 2020-01-15 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | CAMK1D bound to CS275
To Be Published
|
|
5CPS
 | | Disproportionating enzyme 1 from Arabidopsis - maltotriose soak | | Descriptor: | 1,2-ETHANEDIOL, 4-alpha-glucanotransferase DPE1, chloroplastic/amyloplastic, ... | | Authors: | O'Neill, E.C, Stevenson, C.E.M, Tantanarat, K, Latousakis, D, Donaldson, M.I, Rejzek, M, Limpaseni, T, Smith, A.M, Field, R.A, Lawson, D.M. | | Deposit date: | 2015-07-21 | | Release date: | 2015-11-04 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural Dissection of the Maltodextrin Disproportionation Cycle of the Arabidopsis Plastidial Disproportionating Enzyme 1 (DPE1).
J.Biol.Chem., 290, 2015
|
|
6BC8
 | | Crystal structure of Rev7-R124A/Rev3-RBM2 (residues 1988-2014) complex | | Descriptor: | ACETATE ION, DNA polymerase zeta catalytic subunit, Mitotic spindle assembly checkpoint protein MAD2B, ... | | Authors: | Rizzo, A.A, Hao, B, Li, Y, Korzhnev, D.M. | | Deposit date: | 2017-10-20 | | Release date: | 2018-08-01 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Rev7 dimerization is important for assembly and function of the Rev1/Pol zeta translesion synthesis complex.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
|
|
6MP9
 | | X-ray crystal structure of VioC bound to Fe(II), 2-oxo-5-guanidinopentanoic acid, and succinate | | Descriptor: | 5-carbamimidamido-2-oxopentanoic acid, Alpha-ketoglutarate-dependent L-arginine hydroxylase, FE (II) ION, ... | | Authors: | Dunham, N.P, Boal, A.K. | | Deposit date: | 2018-10-05 | | Release date: | 2018-11-21 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | alpha-Amine Desaturation of d-Arginine by the Iron(II)- and 2-(Oxo)glutarate-Dependent l-Arginine 3-Hydroxylase, VioC.
Biochemistry, 57, 2018
|
|
4YX4
 | | Human Carbonic Anhydrase II complexed with an inhibitor with a benzenesulfonamide group (1). | | Descriptor: | Carbonic anhydrase 2, GLYCEROL, MERCURIBENZOIC ACID, ... | | Authors: | Rechlin, C, Heine, A, Klebe, G. | | Deposit date: | 2015-03-22 | | Release date: | 2016-02-03 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.01 Å) | | Cite: | Kinetic and Structural Insights into the Mechanism of Binding of Sulfonamides to Human Carbonic Anhydrase by Computational and Experimental Studies.
J.Med.Chem., 59, 2016
|
|
5KCD
 | | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with an N-methyl Substituted OBHS-N derivative | | Descriptor: | (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-N-methyl-N-phenyl-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide, Estrogen receptor, NCOA2 | | Authors: | Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Dharmarajan, V, Goswami, D, Kastrati, I, Novick, S, Nowak, J, Zhou, H.B, Boonmuen, N, Zhao, Y, Min, J, Frasor, J, Katzenellenbogen, B.S, Griffin, P.R, Katzenellenbogen, J.A, Nettles, K.W. | | Deposit date: | 2016-06-06 | | Release date: | 2016-11-16 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Full antagonism of the estrogen receptor without a prototypical ligand side chain.
Nat. Chem. Biol., 13, 2017
|
|
4YQA
 | |
6QB7
 | | Structure of the H1 domain of human KCTD16 | | Descriptor: | BTB/POZ domain-containing protein KCTD16, PHOSPHATE ION | | Authors: | Pinkas, D.M, Bufton, J.C, Williams, E.P, Strain-Damerell, C, Kupinska, K, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N, Structural Genomics Consortium (SGC) | | Deposit date: | 2018-12-20 | | Release date: | 2019-02-06 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.23 Å) | | Cite: | Structure of the H1 domain of human KCTD16
To be published
|
|
6F3E
 | | IRAK4 IN COMPLEX WITH inhibitor | | Descriptor: | 2-[(3~{R})-12-(4-morpholin-4-ylcyclohexyl)oxy-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraen-3-yl]ethanamide, Interleukin-1 receptor-associated kinase 4, SULFATE ION | | Authors: | Xue, Y, Degorce, S.L, Robb, G.R, Ferguson, A.D. | | Deposit date: | 2017-11-28 | | Release date: | 2018-05-23 | | Method: | X-RAY DIFFRACTION (2.67 Å) | | Cite: | Optimization of permeability in a series of pyrrolotriazine inhibitors of IRAK4.
Bioorg. Med. Chem., 26, 2018
|
|
7ZAO
 | | Structure of BPP43_05035 of Brachyspira pilosicoli | | Descriptor: | MAGNESIUM ION, Sialidase (Neuraminidase) family protein-like protein | | Authors: | Rajan, A, Gallego, P, Pelaseyed, T. | | Deposit date: | 2022-03-22 | | Release date: | 2023-10-11 | | Last modified: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | BPP43_05035 is a Brachyspira pilosicoli cell surface adhesin that weakens the integrity of the epithelial barrier during infection
Biorxiv, 2024
|
|
3M4P
 | |
1BR5
 | | RICIN A CHAIN (RECOMBINANT) COMPLEX WITH NEOPTERIN | | Descriptor: | NEOPTERIN, PROTEIN (RICIN) | | Authors: | Day, P, Yan, X, Hollis, T, Svinth, M, Monzingo, A.F, Milne, G.W.A, Robertus, J.D. | | Deposit date: | 1998-08-26 | | Release date: | 1998-09-02 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure-based identification of a ricin inhibitor.
J.Mol.Biol., 266, 1997
|
|
8SAO
 | |
6TFL
 | | Lsm protein (SmAP) from Halobacterium salinarum | | Descriptor: | CALCIUM ION, GLYCEROL, RNA-binding protein Lsm, ... | | Authors: | Nikulin, A.D, Fando, M.S, Lekontseva, N.V. | | Deposit date: | 2019-11-14 | | Release date: | 2020-11-25 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.397 Å) | | Cite: | Structure and RNA-Binding Properties of Lsm Protein from Halobacterium salinarum.
Biochemistry Mosc., 86, 2021
|
|
7AR0
 | |
5FBS
 | | Crystal structure of rifampin phosphotransferase RPH-Lm from Listeria monocytogenes in complex with ADP and magnesium | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Phosphoenolpyruvate synthase | | Authors: | Stogios, P.J, Wawrzak, Z, Skarina, T, Yim, V, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2015-12-14 | | Release date: | 2016-01-13 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.59 Å) | | Cite: | Rifampin phosphotransferase is an unusual antibiotic resistance kinase.
Nat Commun, 7, 2016
|
|
7U0A
 | |
6XYP
 | | Multiple system atrophy Type II-1 alpha-synuclein filament | | Descriptor: | Alpha-synuclein | | Authors: | Schweighauser, M, Shi, Y, Tarutani, A, Kametani, F, Murzin, A.G, Ghetti, B, Matsubara, T, Tomita, T, Ando, T, Hasegawa, K, Murayama, S, Yoshida, M, Hasegawa, M, Scheres, S.H.W, Goedert, M. | | Deposit date: | 2020-01-30 | | Release date: | 2020-02-12 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (3.29 Å) | | Cite: | Structures of alpha-synuclein filaments from multiple system atrophy.
Nature, 585, 2020
|
|
5FC7
 | | Murine SMPDL3A in complex with sulfate (tetragonal) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Gorelik, A, Illes, K, Superti-Furga, G, Nagar, B. | | Deposit date: | 2015-12-15 | | Release date: | 2016-01-27 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.456 Å) | | Cite: | Structural Basis for Nucleotide Hydrolysis by the Acid Sphingomyelinase-like Phosphodiesterase SMPDL3A.
J.Biol.Chem., 291, 2016
|
|
