5FCU
 
 | | CRYSTAL STRUCTURE OF THE INNER DOMAIN OF CLADE A/E HIV-1 GP120 IN COMPLEX WITH THE ADCC-POTENT RHESUS MACAQUE ANTIBODY JR4 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, JR4 FAB HEAVY CHAIN, ... | | Authors: | Gohain, N, Tolbert, W.D, Pazgier, M. | | Deposit date: | 2015-12-15 | | Release date: | 2016-03-16 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Paring Down HIV Env: Design and Crystal Structure of a Stabilized Inner Domain of HIV-1 gp120 Displaying a Major ADCC Target of the A32 Region.
Structure, 24, 2016
|
|
8VAC
 | | Cryogenic electron microscopy structure of human serum albumin in complex with teniposide | | Descriptor: | (5S,5aR,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol -5-yl 4,6-O-(thiophen-2-ylmethylidene)-beta-D-glucopyranoside, Serum albumin | | Authors: | Catalano, C, Lucier, K.W, To, D, Senko, S, Tran, N.L, Farwell, A.C, Silva, S.M, Dip, P.V, Poweleit, N, Scapin, G. | | Deposit date: | 2023-12-11 | | Release date: | 2024-06-26 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | The CryoEM structure of human serum albumin in complex with ligands.
J.Struct.Biol., 216, 2024
|
|
7VFK
 | | Crystal structure of SdgB (ligand-free form) | | Descriptor: | GLYCEROL, Glycosyl transferase, group 1 family protein, ... | | Authors: | Kim, D.-G, Baek, I, Lee, Y, Kim, H.S. | | Deposit date: | 2021-09-13 | | Release date: | 2021-11-24 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Structural basis for SdgB- and SdgA-mediated glycosylation of staphylococcal adhesive proteins.
Acta Crystallogr D Struct Biol, 77, 2021
|
|
5N71
 | | CRYSTAL STRUCTURE OF MATURE CATHEPSIN D FROM THE TICK IXODES RICINUS (IRCD1) | | Descriptor: | DI(HYDROXYETHYL)ETHER, Putative cathepsin d, SULFATE ION | | Authors: | Brynda, J, Hanova, I, Hobizalova, R, Mares, M. | | Deposit date: | 2017-02-17 | | Release date: | 2017-12-27 | | Last modified: | 2018-03-28 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Novel Structural Mechanism of Allosteric Regulation of Aspartic Peptidases via an Evolutionarily Conserved Exosite.
Cell Chem Biol, 25, 2018
|
|
5N7Q
 | | CRYSTAL STRUCTURE OF MATURE CATHEPSIN D FROM THE TICK IXODES RICINUS (IRCD1) IN COMPLEX WITH THE INHIBITOR PEPSTATIN A | | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, PEPSTATIN A, ... | | Authors: | Brynda, J, Hanova, I, Hobizalova, R, Mares, M. | | Deposit date: | 2017-02-21 | | Release date: | 2017-12-27 | | Last modified: | 2018-06-13 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Novel Structural Mechanism of Allosteric Regulation of Aspartic Peptidases via an Evolutionarily Conserved Exosite.
Cell Chem Biol, 25, 2018
|
|
6ED9
 | |
6HVE
 | | Kinase domain of cSrc in complex with compound 9 | | Descriptor: | Proto-oncogene tyrosine-protein kinase Src, ~{N}-[3-(4-methoxy-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]prop-2-enamide | | Authors: | Keul, M, Mueller, M.P, Rauh, D. | | Deposit date: | 2018-10-10 | | Release date: | 2019-10-23 | | Last modified: | 2020-01-01 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Inhibition of osimertinib-resistant epidermal growth factor receptor EGFR-T790M/C797S.
Chem Sci, 10, 2019
|
|
6H0A
 | | Serum paraoxonase-1 by directed evolution with the L69G/H115W/H134R/F222S/T332S mutations | | Descriptor: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BROMIDE ION, CALCIUM ION, ... | | Authors: | Ben-David, M, Sussman, J.L, Tawfik, D.S. | | Deposit date: | 2018-07-07 | | Release date: | 2019-07-17 | | Last modified: | 2020-04-08 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Enzyme Evolution: An Epistatic Ratchet versus a Smooth Reversible Transition.
Mol.Biol.Evol., 37, 2020
|
|
2WMG
 | | Crystal structure of the catalytic module of a family 98 glycoside hydrolase from Streptococcus pneumoniae TIGR4 (Sp4GH98) in complex with the LewisY pentasaccharide blood group antigen. | | Descriptor: | FUCOLECTIN-RELATED PROTEIN, alpha-L-fucopyranose-(1-2)-beta-D-galactopyranose-(1-4)-[alpha-L-fucopyranose-(1-3)]2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Higgins, M.A, Whitworth, G.E, El Warry, N, Randriantsoa, M, Samain, E, Burke, R.D, Vocadlo, D.J, Boraston, A.B. | | Deposit date: | 2009-06-30 | | Release date: | 2009-07-14 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Differential Recognition and Hydrolysis of Host Carbohydrate-Antigens by Streptococcus Pneumoniae Family 98 Glycoside Hydrolases.
J.Biol.Chem., 284, 2009
|
|
7Y63
 | | ApoSIDT2-pH7.4 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, SID1 transmembrane family member 2, ... | | Authors: | Gong, D.S. | | Deposit date: | 2022-06-18 | | Release date: | 2023-06-21 | | Last modified: | 2023-11-29 | | Method: | ELECTRON MICROSCOPY (3.16 Å) | | Cite: | Structural insight into the human SID1 transmembrane family member 2 reveals its lipid hydrolytic activity.
Nat Commun, 14, 2023
|
|
7Y68
 | | SIDT2-pH5.5 plus miRNA | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, SID1 transmembrane family member 2, ... | | Authors: | Gong, D.S. | | Deposit date: | 2022-06-18 | | Release date: | 2023-06-21 | | Last modified: | 2023-11-29 | | Method: | ELECTRON MICROSCOPY (2.87 Å) | | Cite: | Structural insight into the human SID1 transmembrane family member 2 reveals its lipid hydrolytic activity.
Nat Commun, 14, 2023
|
|
7Y69
 | | ApoSIDT2-pH5.5 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, SID1 transmembrane family member 2, ... | | Authors: | Gong, D.S. | | Deposit date: | 2022-06-18 | | Release date: | 2023-06-21 | | Last modified: | 2023-11-29 | | Method: | ELECTRON MICROSCOPY (3.21 Å) | | Cite: | Structural insight into the human SID1 transmembrane family member 2 reveals its lipid hydrolytic activity.
Nat Commun, 14, 2023
|
|
6H50
 | | Crystal structure of human KDM5B in complex with compound 34a | | Descriptor: | 1,2-ETHANEDIOL, 8-[4-(1-methylpiperidin-4-yl)pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one, DIMETHYL SULFOXIDE, ... | | Authors: | Le Bihan, Y.V, Velupillai, S, van Montfort, R.L.M. | | Deposit date: | 2018-07-23 | | Release date: | 2019-06-12 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | C8-substituted pyrido[3,4-d]pyrimidin-4(3H)-ones: Studies towards the identification of potent, cell penetrant Jumonji C domain containing histone lysine demethylase 4 subfamily (KDM4) inhibitors, compound profiling in cell-based target engagement assays.
Eur.J.Med.Chem., 177, 2019
|
|
8E72
 | | Treponema lecithinolyticum beta-glucuronidase in complex with a ciprofloxacin-glucuronide conjugate | | Descriptor: | 3-carboxy-1-cyclopropyl-6-fluoro-7-(4-beta-D-glucopyranuronosyl-3,4-dihydropyrazin-1(2H)-yl)-4-oxo-1,4-dihydroquinoline, Glycosyl hydrolase family 2, TIM barrel domain protein, ... | | Authors: | Lietzan, A.D, Redinbo, M.R. | | Deposit date: | 2022-08-23 | | Release date: | 2023-06-21 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Microbial beta-glucuronidases drive human periodontal disease etiology.
Sci Adv, 9, 2023
|
|
5NAW
 | | Complement factor D in complex with the inhibitor (1R,3S,5R)-2-Aza-bicyclo[3.1.0]hexane-2,3-dicarboxylic acid 2-[(1-carbamoyl-1H-indol-3-yl)-amide] 3-[(3-trifluoromethoxy-phenyl)-amide] | | Descriptor: | (1~{R},3~{S},5~{R})-~{N}2-(1-aminocarbonylindol-3-yl)-~{N}3-[3-(trifluoromethyloxy)phenyl]-2-azabicyclo[3.1.0]hexane-2,3-dicarboxamide, Complement factor D | | Authors: | Mac Sweeney, A, Ostermann, N. | | Deposit date: | 2017-02-28 | | Release date: | 2017-06-28 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Discovery of Highly Potent and Selective Small-Molecule Reversible Factor D Inhibitors Demonstrating Alternative Complement Pathway Inhibition in Vivo.
J. Med. Chem., 60, 2017
|
|
6H2L
 | |
3JYH
 | | Human dipeptidyl peptidase DPP7 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Dipeptidyl-peptidase 2, ... | | Authors: | Dobrovetsky, E, Dong, A, Seitova, A, Crombett, L, Paganon, S, Cossar, D, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Weigelt, J, Hassel, A, Shewchuk, L, Bochkarev, A, Structural Genomics Consortium (SGC) | | Deposit date: | 2009-09-21 | | Release date: | 2009-10-13 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | Human dipeptidyl peptidase DPP7
To be Published
|
|
5KN7
 | | Lipid A secondary acyltransferase LpxM from Acinetobacter baumannii | | Descriptor: | DODECYL-BETA-D-MALTOSIDE, GLYCEROL, Lipid A biosynthesis lauroyl acyltransferase, ... | | Authors: | Dovala, D.L, Hu, Q, Metzger IV, L.E. | | Deposit date: | 2016-06-27 | | Release date: | 2016-09-28 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Structure-guided enzymology of the lipid A acyltransferase LpxM reveals a dual activity mechanism.
Proc.Natl.Acad.Sci.USA, 113, 2016
|
|
5CDP
 | | 2.45A structure of etoposide with S.aureus DNA gyrase and DNA | | Descriptor: | (5S,5aR,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol -5-yl 4,6-O-[(1R)-ethylidene]-beta-D-glucopyranoside, DNA (5'-D(*AP*GP*CP*CP*GP*TP*AP*G*GP*GP*TP*AP*CP*CP*TP*AP*CP*GP*GP*CP*T)-3'), DNA gyrase subunit A, ... | | Authors: | Bax, B.D, Srikannathasan, V, Chan, P.F. | | Deposit date: | 2015-07-04 | | Release date: | 2015-12-16 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Structural basis of DNA gyrase inhibition by antibacterial QPT-1, anticancer drug etoposide and moxifloxacin.
Nat Commun, 6, 2015
|
|
7YIV
 | | The Crystal Structure of Human Tissue Nonspecific Alkaline Phosphatase (ALPL) at Basic pH | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Alkaline phosphatase, ... | | Authors: | Cao, Y, Qin, A, Yu, Y.T, Yao, D.Q, Zhang, Q, Rao, B, Xia, Y, Lu, Y. | | Deposit date: | 2022-07-18 | | Release date: | 2023-07-19 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.18 Å) | | Cite: | The structural pathology for hypophosphatasia caused by malfunctional tissue non-specific alkaline phosphatase.
Nat Commun, 14, 2023
|
|
7YH7
 | | SARS-CoV-2 spike in complex with neutralizing antibody NIV-8 (state 2) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, NIV-8 Fab heavy chain, ... | | Authors: | Moriyama, S, Anraku, Y, Muranishi, S, Adachi, Y, Kuroda, D, Higuchi, Y, Kotaki, R, Tonouchi, K, Yumoto, K, Suzuki, T, Kita, S, Someya, T, Fukuhara, H, Kuroda, Y, Yamamoto, T, Onodera, T, Fukushi, S, Maeda, K, Nakamura-Uchiyama, F, Hashiguchi, T, Hoshino, A, Maenaka, K, Takahashi, Y. | | Deposit date: | 2022-07-13 | | Release date: | 2023-07-19 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Structural delineation and computational design of SARS-CoV-2-neutralizing antibodies against Omicron subvariants.
Nat Commun, 14, 2023
|
|
8DQ6
 | |
5FMV
 | | Crystal structure of human CD45 extracellular region, domains d1-d4 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, RECEPTOR-TYPE TYROSINE-PROTEIN PHOSPHATASE C, SULFATE ION | | Authors: | Chang, V.T, Fernandes, R.A, Ganzinger, K.A, Lee, S.F, Siebold, C, McColl, J, Jonsson, P, Palayret, M, Harlos, K, Coles, C.H, Jones, E.Y, Lui, Y, Huang, E, Gilbert, R.J.C, Klenerman, D, Aricescu, A.R, Davis, S.J. | | Deposit date: | 2015-11-09 | | Release date: | 2016-03-23 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Initiation of T Cell Signaling by Cd45 Segregation at 'Close Contacts'.
Nat.Immunol., 17, 2016
|
|
5FN6
 | | Crystal structure of human CD45 extracellular region, domains d1-d3 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, RECEPTOR-TYPE TYROSINE-PROTEIN PHOSPHATASE C | | Authors: | Chang, V.T, Fernandes, R.A, Ganzinger, K.A, Lee, S.F, Siebold, C, McColl, J, Jonsson, P, Palayret, M, Harlos, K, Coles, C.H, Jones, E.Y, Lui, Y, Huang, E, Gilbert, R.J.C, Klenerman, D, Aricescu, A.R, Davis, S.J. | | Deposit date: | 2015-11-10 | | Release date: | 2016-03-23 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Initiation of T Cell Signaling by Cd45 Segregation at 'Close Contacts'.
Nat.Immunol., 17, 2016
|
|
7MTU
 | | Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase from Bacillus anthracis in the complex with IMP and the inhibitor P221 | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, INOSINIC ACID, ... | | Authors: | Kim, Y, Maltseva, N, Makowska-Grzyska, M, Gu, M, Gollapalli, D, Hedstrom, L, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2021-05-13 | | Release date: | 2021-06-09 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.34 Å) | | Cite: | Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase from
Bacillus anthracis in the complex with IMP and the inhibitor P221
To Be Published
|
|
