7DRV
 
 | | Structural basis of SARS-CoV-2-closely-related bat coronavirus RaTG13 to hACE2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ... | | Authors: | Liu, K.F, Pan, X.Q, Li, L.J, Feng, Y, Meng, Y.M, Zhang, Y.F, Wu, L.L, Chen, Q, Zheng, A.Q, Song, C.L, Jia, Y.F, Niu, S, Qiao, C.P, Zhao, X, Ma, D.L, Ma, X.P, Tan, S.G, Qi, J.X, Gao, G.F, Wang, Q.H. | | Deposit date: | 2020-12-29 | | Release date: | 2021-08-25 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.09 Å) | | Cite: | Binding and molecular basis of the bat coronavirus RaTG13 virus to ACE2 in humans and other species.
Cell, 184, 2021
|
|
6GOS
 | | E. coli Microcin synthetase McbBCD complex with pro-MccB17 bound | | Descriptor: | 1,2-ETHANEDIOL, Bacteriocin microcin B17, CHLORIDE ION, ... | | Authors: | Ghilarov, D, Stevenson, C.E.M, Travin, D.Y, Piskunova, J, Serebryakova, M, Maxwell, A, Lawson, D.M, Severinov, K. | | Deposit date: | 2018-06-04 | | Release date: | 2019-01-30 | | Last modified: | 2019-03-06 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Architecture of Microcin B17 Synthetase: An Octameric Protein Complex Converting a Ribosomally Synthesized Peptide into a DNA Gyrase Poison.
Mol. Cell, 73, 2019
|
|
5UTY
 | | Crystal Structure of a Stabilized DS-SOSIP.mut4 BG505 gp140 HIV-1 Env Trimer, Containing Mutations I201C-P433C (DS), L154M, N300M, N302M, T320L in Complex with Human Antibodies PGT122 and 35O22 at 4.1 Angstrom | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 35O22 Fab heavy chain, ... | | Authors: | Xu, K, Chuang, G.-Y, Pancera, M, Kwong, P.D. | | Deposit date: | 2017-02-15 | | Release date: | 2017-03-29 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.412 Å) | | Cite: | Structure-Based Design of a Soluble Prefusion-Closed HIV-1 Env Trimer with Reduced CD4 Affinity and Improved Immunogenicity.
J. Virol., 91, 2017
|
|
6GJ8
 | | CRYSTAL STRUCTURE OF KRAS G12D (GPPCP) IN COMPLEX WITH BI 2852 | | Descriptor: | (3~{S})-3-[2-[[[1-[(1-methylimidazol-4-yl)methyl]indol-6-yl]methylamino]methyl]-1~{H}-indol-3-yl]-5-oxidanyl-2,3-dihydroisoindol-1-one, GTPase KRas, MAGNESIUM ION, ... | | Authors: | Kessler, D, Mcconnell, D.M, Mantoulidis, A. | | Deposit date: | 2018-05-16 | | Release date: | 2019-07-31 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Drugging an undruggable pocket on KRAS.
Proc.Natl.Acad.Sci.USA, 116, 2019
|
|
5KKQ
 | | Homo sapiens CCCTC-binding factor (CTCF) ZnF3-7 and DNA complex structure | | Descriptor: | DNA (5'-D(*GP*CP*CP*AP*GP*CP*AP*GP*GP*GP*GP*GP*CP*GP*CP*TP*A)-3'), DNA (5'-D(*TP*AP*GP*CP*GP*CP*CP*CP*CP*CP*TP*GP*CP*TP*GP*GP*C)-3'), Transcriptional repressor CTCF, ... | | Authors: | Hashimoto, H, Wang, D, Cheng, X. | | Deposit date: | 2016-06-22 | | Release date: | 2017-05-24 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.744 Å) | | Cite: | Structural Basis for the Versatile and Methylation-Dependent Binding of CTCF to DNA.
Mol. Cell, 66, 2017
|
|
5KJR
 | |
6BHY
 | | Mouse Immunoglobulin G 2c Fc fragment with single GlcNAc | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Igh protein, SODIUM ION | | Authors: | Falconer, D, Barb, A. | | Deposit date: | 2017-10-31 | | Release date: | 2018-02-14 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | Mouse IgG2c Fc loop residues promote greater receptor-binding affinity than mouse IgG2b or human IgG1.
PLoS ONE, 13, 2018
|
|
6GRB
 | | eukaryotic junction-resolving enzyme GEN-1 binding with Potassium | | Descriptor: | DNA (5'-D(*TP*AP*CP*CP*CP*AP*CP*CP*AP*CP*CP*GP*CP*TP*CP*A)-3'), DNA (5'-D(*TP*GP*AP*GP*CP*GP*GP*TP*GP*GP*TP*TP*GP*GP*T)-3'), MAGNESIUM ION, ... | | Authors: | Lilley, D.M.J, Liu, Y, Freeman, D.J. | | Deposit date: | 2018-06-11 | | Release date: | 2018-09-26 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | A monovalent ion in the DNA binding interface of the eukaryotic junction-resolving enzyme GEN1.
Nucleic Acids Res., 46, 2018
|
|
7CYV
 | | Crystal structure of FD20, a neutralizing single-chain variable fragment (scFv) in complex with SARS-CoV-2 Spike receptor-binding domain (RBD) | | Descriptor: | Spike protein S1, The heavy chain variable region of the scFv FD20,The light chain variable region of the scFv FD20, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-3)][alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Li, Y, Li, T, Lai, Y, Cai, H, Yao, H, Li, D. | | Deposit date: | 2020-09-04 | | Release date: | 2021-09-15 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.13 Å) | | Cite: | Uncovering a conserved vulnerability site in SARS-CoV-2 by a human antibody.
Embo Mol Med, 13, 2021
|
|
7KYA
 | | Structure of the S. cerevisiae phosphatidylcholine flippase Dnf2-Lem3 complex in the E2P 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, Alkylphosphocholine resistance protein LEM3, ... | | Authors: | Bai, L, You, Q, Jain, B.K, Duan, H.D, Kovach, A, Graham, T.R, Li, H. | | Deposit date: | 2020-12-07 | | Release date: | 2021-01-06 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Transport mechanism of P4 ATPase phosphatidylcholine flippases.
Elife, 9, 2020
|
|
5G2T
 | | BT1596 in complex with its substrate 4,5 unsaturated uronic acid alpha 1,4 D-Glucosamine-2-N, 6-O-disulfate | | Descriptor: | 1,2-ETHANEDIOL, 2-O GLYCOSAMINOGLYCAN SULFATASE, 4-deoxy-2-O-sulfo-alpha-L-threo-hex-4-enopyranuronic acid, ... | | Authors: | Cartmell, A, Lowe, E.C, Basle, A, Crouch, L.I, Czjzek, M, Turnbull, J, Henrissat, B, Terrapon, N, Thomas, S, Murray, H, Firbank, S.J, Bolam, D.N. | | Deposit date: | 2016-04-13 | | Release date: | 2017-05-24 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | How members of the human gut microbiota overcome the sulfation problem posed by glycosaminoglycans.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
|
|
6GQQ
 | | Crystal structure of human KDR (VEGFR2) kinase domain in complex with AZD3229-analogue (compound 35) | | Descriptor: | Vascular endothelial growth factor receptor 2, ~{N}-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-2-(4-propan-2-yl-1,2,3-triazol-1-yl)ethanamide | | Authors: | Schimpl, M, Hardy, C.J, Ogg, D.J, Overman, R.C, Packer, M.J, Kettle, J.G, Anjum, R, Barry, E, Bhavsar, D, Brown, C, Campbell, A, Goldberg, K, Grondine, M, Guichard, S, Hunt, T, Jones, O, Li, X, Moleva, O, Pearson, S, Shao, W, Smith, A, Smith, J, Stead, D, Stokes, S, Tucker, M, Ye, Y. | | Deposit date: | 2018-06-07 | | Release date: | 2018-09-19 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | Discovery of N-(4-{[5-Fluoro-7-(2-methoxyethoxy)quinazolin-4-yl]amino}phenyl)-2-[4-(propan-2-yl)-1 H-1,2,3-triazol-1-yl]acetamide (AZD3229), a Potent Pan-KIT Mutant Inhibitor for the Treatment of Gastrointestinal Stromal Tumors.
J. Med. Chem., 61, 2018
|
|
7KKL
 | | SARS-CoV-2 Spike in complex with neutralizing nanobody mNb6 | | 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: | Schoof, M.S, Faust, B.F, Saunders, R.A, Sangwan, S, Rezelj, V, Hoppe, N, Boone, M, Billesboelle, C.B, Puchades, C, Azumaya, C.M, Kratochvil, H.T, Zimanyi, M, Desphande, I, Liang, J, Dickinson, S, Nguyen, H.C, Chio, C.M, Merz, G.E, Thompson, M.C, Diwanji, D, Schaefer, K, Anand, A.A, Dobzinski, N, Zha, B.S, Simoneau, C.R, Leon, K, White, K.M, Chio, U.S, Gupta, M, Jin, M, Li, F, Liu, Y, Zhang, K, Bulkley, D, Sun, M, Smith, A.M, Rizo, A.N, Moss, F, Brilot, A.F, Pourmal, S, Trenker, R, Pospiech, T, Gupta, S, Barsi-Rhyne, B, Belyy, V, Barile-Hill, A.W, Nock, S, Liu, Y, Krogan, N.J, Ralston, C.Y, Swaney, D.L, Garcia-Sastre, A, Ott, M, Vignuzzi, M, Walter, P, Manglik, A, QCRG Structural Biology Consortium | | Deposit date: | 2020-10-27 | | Release date: | 2020-11-11 | | Last modified: | 2021-04-21 | | Method: | ELECTRON MICROSCOPY (2.85 Å) | | Cite: | An ultrapotent synthetic nanobody neutralizes SARS-CoV-2 by stabilizing inactive Spike.
Science, 370, 2020
|
|
7KMS
 | | Cryo-EM structure of triple ACE2-bound SARS-CoV-2 trimer spike at pH 7.4 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ... | | Authors: | Gorman, J, Kwong, P.D, Shapiro, L. | | Deposit date: | 2020-11-03 | | Release date: | 2020-12-09 | | Last modified: | 2021-12-15 | | Method: | ELECTRON MICROSCOPY (3.64 Å) | | Cite: | Cryo-EM Structures of SARS-CoV-2 Spike without and with ACE2 Reveal a pH-Dependent Switch to Mediate Endosomal Positioning of Receptor-Binding Domains.
Cell Host Microbe, 28, 2020
|
|
7KYC
 | | Structure of the S. cerevisiae phosphatidylcholine flippase Dnf1-Lem3 complex in the E2P state | | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Bai, L, You, Q, Jain, B.K, Duan, H.D, Kovach, A, Graham, T.R, Li, H. | | Deposit date: | 2020-12-07 | | Release date: | 2021-01-06 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Transport mechanism of P4 ATPase phosphatidylcholine flippases.
Elife, 9, 2020
|
|
5KNQ
 | | Crystal structure of Mycobacterium tuberculosis hypoxanthine guanine phosphoribosyltransferase in complex with [3S,4R]-(4-(Guanin-9-yl)pyrrolidin-3-yl)oxymethanephosphonic acid and pyrophosphate | | Descriptor: | Hypoxanthine-guanine phosphoribosyltransferase, MAGNESIUM ION, PYROPHOSPHATE 2-, ... | | Authors: | Eng, W.S, Rejman, D, Keough, D.T, Guddat, L.W. | | Deposit date: | 2016-06-28 | | Release date: | 2017-09-20 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.553 Å) | | Cite: | Crystal structure of Mycobacterium tuberculosis hypoxanthine guanine phosphoribosyltransferase in complex with pyrrolidine nucleoside phosphonate
To Be Published
|
|
7KY5
 | | Structure of the S. cerevisiae phosphatidylcholine flippase Dnf2-Lem3 complex in the E2P transition state | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Alkylphosphocholine resistance protein LEM3, CHOLESTEROL, ... | | Authors: | Bai, L, You, Q, Jain, B.K, Duan, H.D, Kovach, A, Graham, T.R, Li, H. | | Deposit date: | 2020-12-07 | | Release date: | 2021-01-06 | | Method: | ELECTRON MICROSCOPY (3.98 Å) | | Cite: | Transport mechanism of P4 ATPase phosphatidylcholine flippases.
Elife, 9, 2020
|
|
5KTH
 | | Structure of cow mincle complexed with brartemicin | | Descriptor: | 2,4-dihydroxy-6-methyl Benzoic acid, CALCIUM ION, TRIETHYLENE GLYCOL, ... | | Authors: | Feinberg, H, Rambaruth, N.D.S, Jegouzo, S.A.F, Jacobsen, K.M, Djurhuus, R, Poulsen, T.B, Taylor, M.E, Drickamer, K, Weis, W.I. | | Deposit date: | 2016-07-11 | | Release date: | 2016-08-31 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | Binding Sites for Acylated Trehalose Analogs of Glycolipid Ligands on an Extended Carbohydrate Recognition Domain of the Macrophage Receptor Mincle.
J.Biol.Chem., 291, 2016
|
|
5KVY
 | | CRYSTAL STRUCTURE OF THE TWO TANDEM RRM DOMAINS OF PUF60 BOUND TO A PORTION OF AN ADML PRE-MRNA 3' SPLICE SITE ANALOG | | Descriptor: | CHLORIDE ION, DNA (30-MER), Poly(U)-binding-splicing factor PUF60 | | Authors: | Hsiao, H.-H, Crichlow, G.V, Albright, R.A, Murphy, J.W, Lolis, E.J, Braddock, D.T. | | Deposit date: | 2016-07-15 | | Release date: | 2017-08-23 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Unraveling the mechanism of recognition of the 3' splice site of the adenovirus major late promoter intron by the alternative splicing factor PUF60.
Plos One, 15, 2020
|
|
5KZN
 | | Metabotropic Glutamate Receptor | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, MAGNESIUM ION, Metabotropic glutamate receptor 2 | | Authors: | Chappell, M.D, Li, R, Smith, S.C, Dressman, B.A, Tromiczak, E.G, Tripp, A.E, Blanco, M.-J, Vetman, T, Quimby, S.J, Matt, J, Britton, T, Fivush, A.M, Schkeryantz, J.M, Mayhugh, D, Erickson, J.A, Bures, M, Jaramillo, C, Carpintero, M, de Diego, J.E, Barberis, M, Garcia-Cerrada, S, Soriano, J.F, Antonysamy, S, Atwell, S, MacEwan, I, Condon, B, Bradley, C, Wang, J, Zhang, A, Conners, K, Groshong, C, Wasserman, S.R, Koss, J.W, Witkin, J.M, Li, X, Overshiner, C, Wafford, K.A, Seidel, W, Wang, X.-S, Heinz, B.A, Swanson, S, Catlow, J, Bedwell, D, Monn, J.A, Mitch, C.H, Ornstein, P. | | Deposit date: | 2016-07-25 | | Release date: | 2016-12-28 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Discovery of (1S,2R,3S,4S,5R,6R)-2-Amino-3-[(3,4-difluorophenyl)sulfanylmethyl]-4-hydroxy-bicyclo[3.1.0]hexane-2,6-dicarboxylic Acid Hydrochloride (LY3020371HCl): A Potent, Metabotropic Glutamate 2/3 Receptor Antagonist with Antidepressant-Like Activity.
J. Med. Chem., 59, 2016
|
|
5L0Q
 | | Crystal structure of the complex between ADAM10 D+C domain and a conformation specific mAb 8C7. | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Disintegrin and metalloproteinase domain-containing protein 10, MAGNESIUM ION, ... | | Authors: | Xu, K, Saha, N, Nikolov, D.B. | | Deposit date: | 2016-07-28 | | Release date: | 2016-11-09 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.759 Å) | | Cite: | An activated form of ADAM10 is tumor selective and regulates cancer stem-like cells and tumor growth.
J.Exp.Med., 213, 2016
|
|
6DXX
 | | Human N-acylethanolamine-hydrolyzing acid amidase (NAAA) in complex with non-covalent benzothiazole-piperazine inhibitor ARN19702, in presence of Triton X-100 | | 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-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOL, ... | | Authors: | Gorelik, A, Gebai, A, Illes, K, Piomelli, D, Nagar, B. | | Deposit date: | 2018-07-01 | | Release date: | 2018-09-26 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Molecular mechanism of activation of the immunoregulatory amidase NAAA.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
|
|
5HOE
 | | Crystal structrue of Est24, a carbohydrate acetylesterase from Sinorhizobium meliloti | | Descriptor: | HEXAETHYLENE GLYCOL, Hydrolase, PHOSPHATE ION | | Authors: | Oh, C, Ryu, B.H, An, D.R, Nguyen, D.D, Yoo, W, Kim, T, Ngo, D.T, Kim, H.S, Park, J.S, Kim, K.K, Kim, T.D. | | Deposit date: | 2016-01-19 | | Release date: | 2016-04-27 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Structural and Biochemical Characterization of an Octameric Carbohydrate Acetylesterase from Sinorhizobium meliloti.
Febs Lett., 590, 2016
|
|
6DVK
 | | Computationally designed mini tetraloop-tetraloop receptor by the RNAMake program - construct 6 (miniTTR 6) | | Descriptor: | COBALT (II) ION, MAGNESIUM ION, RNA (95-MER) | | Authors: | Eiler, D.R, Yesselman, J.D, Costantino, D.A, Das, R, Kieft, J.S. | | Deposit date: | 2018-06-24 | | Release date: | 2019-06-26 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Computational design of three-dimensional RNA structure and function.
Nat Nanotechnol, 14, 2019
|
|
6DVM
 | | Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 in complex with DDK-122 | | Descriptor: | 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-(dimethylamino)-N-{[4-(hydroxycarbamoyl)phenyl]methyl}-N-{2-[(4-methylphenyl)amino]-2-oxoethyl}benzamide, ... | | Authors: | Porter, N.J, Christianson, D.W. | | Deposit date: | 2018-06-24 | | Release date: | 2018-08-29 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | Histone Deacetylase 6-Selective Inhibitors and the Influence of Capping Groups on Hydroxamate-Zinc Denticity.
J. Med. Chem., 61, 2018
|
|
