4UWF
 
 | | Discovery of (2S)-8-((3R)-3-Methylmorpholin-4-yl)-1-(3-methyl-2-oxo- butyl)-2-(trifluoromethyl)-3,4-dihydro-2H-pyrimido(1,2-a)pyrimidin-6- one: a Novel Potent and Selective Inhibitor of Vps34 for the Treatment of Solid Tumors | | Descriptor: | (8S)-9-[3,5-bis(fluoranyl)phenyl]-2-morpholin-4-yl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one, PHOSPHATIDYLINOSITOL 3-KINASE CATALYTIC SUBUNIT TYPE 3 | | Authors: | Pasquier, B, El-Ahmad, Y, Filoche-Romme, B, Dureuil, C, Fassy, F, Abecassis, P.Y, Mathieu, M, Bertrand, T, Benard, T, Barriere, C, ElBatti, S, Letallec, J.P, Sonnefraud, V, Brollo, M, Delbarre, L, Loyau, V, Pilorge, F, Bertin, L, Richepin, P, Arigon, J, Labrosse, J.R, Clement, J, Durand, F, Combet, R, Perraut, P, Leroy, V, Gay, F, Lefrancois, D, Bretin, F, Marquette, J.P, Michot, N, Caron, A, Castell, C, Schio, L, McCort, G, Goulaouic, H, Garcia-Echeverria, C, Ronan, B. | | Deposit date: | 2014-08-12 | | Release date: | 2014-11-26 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.99 Å) | | Cite: | Discovery of (2S)-8-[(3R)-3-Methylmorpholin-4-Yl]-1-(3-Methyl-2-Oxobutyl)-2-(Trifluoromethyl)-3,4-Dihydro-2H-Pyrimido[1,2-A]Pyrimidin-6-One: A Novel Potent and Selective Inhibitor of Vps34 for the Treatment of Solid Tumors.
J.Med.Chem., 58, 2015
|
|
6NL3
 | | Solution structure of human Coa6 | | Descriptor: | Cytochrome c oxidase assembly factor 6 homolog | | Authors: | Naik, M.T, Soma, S, Gohil, V. | | Deposit date: | 2019-01-07 | | Release date: | 2019-11-20 | | Last modified: | 2024-10-16 | | Method: | SOLUTION NMR | | Cite: | COA6 Is Structurally Tuned to Function as a Thiol-Disulfide Oxidoreductase in Copper Delivery to Mitochondrial Cytochrome c Oxidase.
Cell Rep, 29, 2019
|
|
6NK9
 | |
4V1D
 | | Ternary complex among two human derived single chain antibody fragments and Cn2 toxin from scorpion Centruroides noxius. | | Descriptor: | BETA-MAMMAL TOXIN CN2, SINGLE CHAIN ANTIBODY FRAGMENT LR, HEAVY CHAIN, ... | | Authors: | Riano-Umbarila, L, Serrano-Posada, H, Rojas-Trejo, S, Rudino-Pinera, E, Becerril, B. | | Deposit date: | 2014-09-25 | | Release date: | 2015-10-07 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Optimal Neutralization of Centruroides Noxius Venom is Understood Through a Structural Complex between Two Antibody Fragments and the Cn2 Toxin.
J.Biol.Chem., 291, 2016
|
|
4UYM
 | |
4UZV
 | | Structure of a triple mutant of ASV-TfTrHb | | Descriptor: | ACETATE ION, HEMOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Baiocco, P, Bonamore, A, Sciamanna, N, Ilari, A, Boechi, L, Boffi, A, Smulevich, G, Feis, A. | | Deposit date: | 2014-09-09 | | Release date: | 2014-09-17 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Role of Local Structure and Dynamics of Small Ligand Migration in Proteins: A Study of a Mutated Truncated Hemoprotein from Thermobifida Fusca by Time Resolved Mir Spectroscopy.
J.Phys.Chem.B, 118, 2014
|
|
6NJC
 | | Crystal Structure of the Sialate O-acetylesterase from Bacteroides vulgatus | | Descriptor: | ACETIC ACID, CHLORIDE ION, FORMIC ACID, ... | | Authors: | Kim, Y, Li, H, Biglow, L, Jedrzejczak, R, Babnigg, G, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2019-01-03 | | Release date: | 2019-01-16 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal Structure of the Sialate O-acetylesterase from Bacteroides vulgatus
To Be Published
|
|
6NJO
 | | Structure of the assembled ATPase EscN from the enteropathogenic E. coli (EPEC) type III secretion system | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, MAGNESIUM ION, ... | | Authors: | Majewski, D.D, Worrall, L.J, Hong, C, Atkinson, C.E, Vuckovic, M, Watanabe, N, Yu, Z, Strynadka, N.C.J. | | Deposit date: | 2019-01-03 | | Release date: | 2019-02-20 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (3.34 Å) | | Cite: | Cryo-EM structure of the homohexameric T3SS ATPase-central stalk complex reveals rotary ATPase-like asymmetry.
Nat Commun, 10, 2019
|
|
4UWY
 | | FGFR1 Apo structure | | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, FIBROBLAST GROWTH FACTOR RECEPTOR 1 | | Authors: | Thiyagarajan, N, Bunney, T, Katan, M. | | Deposit date: | 2014-08-15 | | Release date: | 2015-02-25 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.305 Å) | | Cite: | The Effect of Mutations on Drug Sensitivity and Kinase Activity of Fibroblast Growth Factor Receptors: A Combined Experimental and Theoretical Study
Ebiomedicine, 2, 2015
|
|
6NJZ
 | |
6NL9
 | | Crystal structure of de novo designed metal-controlled dimer of mutant B1 immunoglobulin-binding domain of Streptococcal Protein G (L12H, T16L, V29H, Y33H, N37L)-apo | | Descriptor: | Immunoglobulin G-binding protein G, MAGNESIUM ION, SODIUM ION | | Authors: | Maniaci, B, Stec, B, Huxford, T. | | Deposit date: | 2019-01-08 | | Release date: | 2019-01-23 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Design of High-Affinity Metal-Controlled Protein Dimers.
Biochemistry, 58, 2019
|
|
4UZE
 | |
6NMK
 | |
6NMM
 | |
6NMD
 | | cryo-EM Structure of the LbCas12a-crRNA-AcrVA1 complex | | Descriptor: | AcrVA1, Cpf1, MAGNESIUM ION, ... | | Authors: | Chang, L, Li, Z, Zhang, H. | | Deposit date: | 2019-01-10 | | Release date: | 2019-06-12 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (3.49 Å) | | Cite: | Structural Basis for the Inhibition of CRISPR-Cas12a by Anti-CRISPR Proteins.
Cell Host Microbe, 25, 2019
|
|
6NN1
 | | Xanthomonas citri PGM Apo-Dephospho | | Descriptor: | DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, PHOSPHATE ION, ... | | Authors: | Stiers, K.M, Beamer, L.J. | | Deposit date: | 2019-01-14 | | Release date: | 2019-04-10 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structural and dynamical description of the enzymatic reaction of a phosphohexomutase.
Struct Dyn., 6, 2019
|
|
6ZRE
 | | Deciphering the role of the channel constrictions in the opening mechanism of MexAB-OprM efflux pump from Pseudomonas aeruginosa | | Descriptor: | Outer membrane protein OprM, PALMITIC ACID, SULFATE ION, ... | | Authors: | Ntsogo Enguene, Y.V, Monlezun, L, Ma, M, Garnier, C, Lascombe, M.B, Salem, M, Guenard, S, Plesiat, P, Llanes, C, Phan, G, Broutin, I. | | Deposit date: | 2020-07-13 | | Release date: | 2021-07-28 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Deciphering the role of OprM constrictions in the opening mechanism of the MexAB-OprM efflux pump from Pseudomonas aeruginosa.
To Be Published
|
|
6SU2
 | |
6STZ
 | |
1EO8
 | | INFLUENZA VIRUS HEMAGGLUTININ COMPLEXED WITH A NEUTRALIZING ANTIBODY | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ANTIBODY (HEAVY CHAIN), ... | | Authors: | Fleury, D, Gigant, B, Daniels, R.S, Skehel, J.J, Knossow, M, Bizebard, T. | | Deposit date: | 2000-03-22 | | Release date: | 2000-04-12 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural evidence for recognition of a single epitope by two distinct antibodies.
Proteins, 40, 2000
|
|
5LQK
 | | Crystal Structure of COMT in complex with N-[(E)-3-[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]prop-2-enyl]-2,3-dihydroxy-5-[(4-methylphenyl)methyl]benzamide | | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CHLORIDE ION, Catechol O-methyltransferase, ... | | Authors: | Ehler, A, Lerner, C, Rudolph, M.G. | | Deposit date: | 2016-08-17 | | Release date: | 2016-08-31 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.24 Å) | | Cite: | Crystal Structure of COMT
To be published
|
|
1E70
 | | 2-F-glucosylated MYROSINASE FROM SINAPIS ALBA | | 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-deoxy-2-fluoro-alpha-D-glucopyranose, ... | | Authors: | Burmeister, W.P. | | Deposit date: | 2000-08-23 | | Release date: | 2001-01-05 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | High Resolution X-Ray Crystallography Shows that Ascorbate is a Cofactor for Myrosinase and Substitutes for the Function of the Catalytic Base
J.Biol.Chem., 275, 2000
|
|
1EBV
 | | OVINE PGHS-1 COMPLEXED WITH SALICYL HYDROXAMIC ACID | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETIC ACID SALICYLOYL-AMINO-ESTER, ... | | Authors: | Loll, P.J, Sharkey, C.T, O'Connor, S.J, Fitzgerald, D.J. | | Deposit date: | 2000-01-24 | | Release date: | 2000-02-24 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | O-acetylsalicylhydroxamic acid, a novel acetylating inhibitor of prostaglandin H2 synthase: structural and functional characterization of enzyme-inhibitor interactions.
Mol.Pharmacol., 60, 2001
|
|
7AAR
 | | sugar/H+ symporter STP10 in inward open conformation | | Descriptor: | CHLORIDE ION, Octyl Glucose Neopentyl Glycol, Sugar transport protein 10, ... | | Authors: | Bavnhoej, L, Paulsen, P.A, Pedersen, B.P. | | Deposit date: | 2020-09-04 | | Release date: | 2021-08-18 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.64 Å) | | Cite: | Molecular mechanism of sugar transport in plants unveiled by structures of glucose/H + symporter STP10.
Nat.Plants, 7, 2021
|
|
7AAQ
 | | sugar/H+ symporter STP10 in outward occluded conformation | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 3,6,9,12,15,18,21,24,27-NONAOXANONACOSANE-1,29-DIOL, ACETATE ION, ... | | Authors: | Bavnhoej, L, Paulsen, P.A, Pedersen, B.P. | | Deposit date: | 2020-09-04 | | Release date: | 2021-08-18 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Molecular mechanism of sugar transport in plants unveiled by structures of glucose/H + symporter STP10.
Nat.Plants, 7, 2021
|
|
