5ZE2
| Hairpin Complex, RAG1/2-hairpin 12RSS/23RSS complex in 5mM Mn2+ for 2 min at 4'C | Descriptor: | 1,2-ETHANEDIOL, DNA (30-MER), DNA (31-MER), ... | Authors: | Kim, M.S, Chuenchor, W, Chen, X, Gellert, M, Yang, W. | Deposit date: | 2018-02-25 | Release date: | 2018-04-25 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Cracking the DNA Code for V(D)J Recombination Mol. Cell, 70, 2018
|
|
6FY4
| |
5WAD
| ADC-7 in complex with boronic acid transition state inhibitor CR161 | Descriptor: | Beta-lactamase, PHOSPHATE ION, phosphonooxy-[[[6-(1~{H}-1,2,3,4-tetrazol-5-yl)pyridin-3-yl]sulfonylamino]methyl]borinic acid | Authors: | Powers, R.A, Wallar, B.J. | Deposit date: | 2017-06-26 | Release date: | 2017-12-06 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Structure-Based Analysis of Boronic Acids as Inhibitors of Acinetobacter-Derived Cephalosporinase-7, a Unique Class C beta-Lactamase. ACS Infect Dis, 4, 2018
|
|
5WET
| Crystal Structure of H2-Dd with disulfide-linked 6mer peptide | Descriptor: | Beta-2-microglobulin, GLYCINE, H-2 class I histocompatibility antigen, ... | Authors: | Jiang, J.S, Natarajan, K, Boyd, L.F, Margulies, D.H. | Deposit date: | 2017-07-10 | Release date: | 2017-10-18 | Last modified: | 2017-12-13 | Method: | X-RAY DIFFRACTION (2.64 Å) | Cite: | Crystal structure of a TAPBPR-MHC I complex reveals the mechanism of peptide editing in antigen presentation. Science, 358, 2017
|
|
5WEU
| Crystal Structure of H2-Dd with disulfide-linked 10mer peptide | Descriptor: | 1,2-ETHANEDIOL, Beta-2-microglobulin, Envelope glycoprotein gp160, ... | Authors: | Jiang, J.S, Natarajan, K, Boyd, L.F, Margulies, D.H. | Deposit date: | 2017-07-10 | Release date: | 2017-10-18 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.584 Å) | Cite: | Crystal structure of a TAPBPR-MHC I complex reveals the mechanism of peptide editing in antigen presentation. Science, 358, 2017
|
|
5WFX
| |
6B3E
| Crystal structure of human CDK12/CyclinK in complex with an inhibitor | Descriptor: | 1,2-ETHANEDIOL, 2-[(2S)-1-(6-{[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]amino}-9-ethyl-9H-purin-2-yl)piperidin-2-yl]ethan-1-ol, Cyclin-K, ... | Authors: | Ferguson, A.D. | Deposit date: | 2017-09-21 | Release date: | 2017-12-27 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.06 Å) | Cite: | Structure-Based Design of Selective Noncovalent CDK12 Inhibitors. ChemMedChem, 13, 2018
|
|
6GKO
| Mouse thymidylate synthase cocrystallized with dUMP and soaked in phenolphthalein | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 3,3-bis(4-hydroxyphenyl)-2-benzofuran-1-one, DIMETHYL SULFOXIDE, ... | Authors: | Maj, P, Wilk, P, Jarmula, A, Weiss, M.S, Rode, W. | Deposit date: | 2018-05-21 | Release date: | 2019-06-05 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.839 Å) | Cite: | Thymidylate synthase fragment screening To Be Published
|
|
4DNY
| |
6GFA
| Structure of Nucleotide binding domain of HSP110, ATP and Mg2+ complexed | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Heat shock protein 105 kDa, MAGNESIUM ION | Authors: | Gonzalez, D, Gotthard, G, Gozzi, G.J, Seigneuric, R, Neiers, F, Briand, L, Garrido, C. | Deposit date: | 2018-04-29 | Release date: | 2019-05-08 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Selecting the first chemical molecule inhibitor of HSP110 for colorectal cancer therapy. Cell Death Differ., 27, 2020
|
|
5WPM
| KRas G12V, bound to GppNHp and miniprotein 225-11(A30R) | Descriptor: | GTPase KRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | Authors: | Lee, S.-J, Shim, S.Y, McGee, J.H, Verdine, G.L. | Deposit date: | 2017-08-05 | Release date: | 2018-01-03 | Last modified: | 2018-03-14 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Exceptionally high-affinity Ras binders that remodel its effector domain. J. Biol. Chem., 293, 2018
|
|
5WGB
| |
6BAB
| The structure of human CamKII with bound inhibitor | Descriptor: | Calcium/calmodulin-dependent protein kinase type II subunit delta, L(+)-TARTARIC ACID, N-[(2S)-2-(diethylamino)propyl]-2-(3-hydroxyazetidin-1-yl)-6-[5-(thiophen-2-yl)pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-4-carboxamide | Authors: | Somoza, J.R, Villasenor, A.G. | Deposit date: | 2017-10-12 | Release date: | 2017-11-29 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | TBD To Be Published
|
|
5WSV
| Crystal structure of Myosin VIIa IQ5 in complex with Ca2+-CaM | Descriptor: | CALCIUM ION, Calmodulin, SULFATE ION, ... | Authors: | Li, J, Chen, Y, Deng, Y, Lu, Q, Zhang, M. | Deposit date: | 2016-12-08 | Release date: | 2017-06-07 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | Ca(2+)-Induced Rigidity Change of the Myosin VIIa IQ Motif-Single alpha Helix Lever Arm Extension Structure, 25, 2017
|
|
5WJ4
| |
6ANY
| Structure of BmVAL-1 | Descriptor: | Bm4233, isoform b, SULFATE ION, ... | Authors: | Asojo, O.A. | Deposit date: | 2017-08-14 | Release date: | 2018-03-28 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Crystal structure of Brugia malayi venom allergen-like protein-1 (BmVAL-1), a vaccine candidate for lymphatic filariasis. Int. J. Parasitol., 48, 2018
|
|
2OKJ
| The X-ray crystal structure of the 67kDa isoform of Glutamic Acid Decarboxylase (GAD67) | Descriptor: | 4-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)AMINO]BUTANOIC ACID, GAMMA-AMINO-BUTANOIC ACID, Glutamate decarboxylase 1 | Authors: | Buckle, A.M, Fenalti, G, Law, R.H.P, Whisstock, J.C. | Deposit date: | 2007-01-17 | Release date: | 2007-03-27 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | GABA production by glutamic acid decarboxylase is regulated by a dynamic catalytic loop. Nat.Struct.Mol.Biol., 14, 2007
|
|
5WJ2
| |
6DAB
| Human CYP3A4 bound to an inhibitor | Descriptor: | Cytochrome P450 3A4, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Sevrioukova, I.F. | Deposit date: | 2018-05-01 | Release date: | 2019-04-03 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structure-Activity Relationships of Rationally Designed Ritonavir Analogues: Impact of Side-Group Stereochemistry, Headgroup Spacing, and Backbone Composition on the Interaction with CYP3A4. Biochemistry, 58, 2019
|
|
6DAL
| Human CYP3A4 bound to an inhibitor | Descriptor: | Cytochrome P450 3A4, GLYCEROL, Nalpha-{(2S)-2-[(tert-butoxycarbonyl)amino]-3-phenylpropyl}-N-[2-(pyridin-3-yl)ethyl]-D-phenylalaninamide, ... | Authors: | Sevrioukova, I.F. | Deposit date: | 2018-05-01 | Release date: | 2019-04-03 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Structure-Activity Relationships of Rationally Designed Ritonavir Analogues: Impact of Side-Group Stereochemistry, Headgroup Spacing, and Backbone Composition on the Interaction with CYP3A4. Biochemistry, 58, 2019
|
|
5ZE1
| Hairpin Forming Complex, RAG1/2-Nicked 12RSS/23RSS complex in 2mM Mn2+ for 10 min at 4'C | Descriptor: | 1,2-ETHANEDIOL, DNA, HMGB1 A-B box, ... | Authors: | Kim, M.S, Chuenchor, W, Chen, X, Gellert, M, Yang, W. | Deposit date: | 2018-02-25 | Release date: | 2018-04-25 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Cracking the DNA Code for V(D)J Recombination Mol. Cell, 70, 2018
|
|
6GTB
| 17beta-hydroxysteroid dehydrogenase 14 variant T205 in complex with FB211 | Descriptor: | 1,2-ETHANEDIOL, 17-beta-hydroxysteroid dehydrogenase 14, 3-[6-(3-hydroxyphenyl)pyridin-2-yl]benzoic acid, ... | Authors: | Bertoletti, N, Marchais-Oberwinkler, S, Heine, A, Klebe, G. | Deposit date: | 2018-06-18 | Release date: | 2019-09-11 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.619 Å) | Cite: | X-ray Crystallographic Fragment screening and Hit Optimization To Be Published
|
|
5CQ5
| Crystal structure of the bromodomain of bromodomain adjacent to zinc finger domain protein 2B (BAZ2B) in complex with 2,3-Ethylenedioxybenzoic Acid (SGC - Diamond I04-1 fragment screening) | Descriptor: | 1,2-ETHANEDIOL, 2,3-dihydro-1,4-benzodioxine-5-carboxylic acid, Bromodomain adjacent to zinc finger domain protein 2B | Authors: | Bradley, A, Pearce, N, Krojer, T, Ng, J, Talon, R, Vollmar, M, Jose, B, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2015-07-21 | Release date: | 2015-09-09 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.961 Å) | Cite: | Crystal structure of the second bromodomain of bromodomain adjancent to zinc finger domain protein 2B (BAZ2B) in complex with 2,3-Ethylenedioxybenzoic Acid (SGC - Diamond I04-1 fragment screening) To be published
|
|
6DFP
| Crystal Structure of a Tripartite Toxin Component VCA0883 from Vibrio cholerae | Descriptor: | VCA0883 | Authors: | Kim, Y, Maltseva, N, Endres, M, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2018-05-15 | Release date: | 2018-05-23 | Last modified: | 2022-07-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | A Genomic Island of Vibrio cholerae Encodes a Three-Component Cytotoxin with Monomer and Protomer Forms Structurally Similar to Alpha-Pore-Forming Toxins. J.Bacteriol., 204, 2022
|
|
6GX5
| Narrow Pick Filament from Pick's disease brain | Descriptor: | Microtubule-associated protein tau | Authors: | Falcon, B, Zhang, W, Murzin, A.G, Murshudov, G, Garringer, H.J, Vidal, R, Crowther, R.A, Ghetti, B, Scheres, S.H.W, Goedert, M. | Deposit date: | 2018-06-26 | Release date: | 2018-09-12 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Structures of filaments from Pick's disease reveal a novel tau protein fold. Nature, 561, 2018
|
|