8WEV
| |
4P0U
| |
9FAY
| Gcase in complex with small molecule inhibitor 1 | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Tisi, D, Cleasby, A. | Deposit date: | 2024-05-10 | Release date: | 2024-07-03 | Last modified: | 2024-07-24 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Fragment-Based Discovery of a Series of Allosteric-Binding Site Modulators of beta-Glucocerebrosidase. J.Med.Chem., 67, 2024
|
|
9BRW
| SARS-CoV-2 Papain-like Protease (PLpro) with Fragment 7 | Descriptor: | CHLORIDE ION, N-(2-chlorophenyl)-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Papain-like protease nsp3, ... | Authors: | Amporndanai, K, Zhao, B, Fesik, S.W. | Deposit date: | 2024-05-11 | Release date: | 2024-07-31 | Last modified: | 2024-09-04 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Fragment-Based Screen of SARS-CoV-2 Papain-like Protease (PL pro ). Acs Med.Chem.Lett., 15, 2024
|
|
8Z4R
| The crystal structure of a Hydroquinone Dioxygenase PaD with substrate | Descriptor: | 2-methoxy-6-methyl-benzene-1,4-diol, ACETATE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Liu, Z.W, Huang, J.-W, Wang, Y.X, Chen, C.-C, Guo, R.-T. | Deposit date: | 2024-04-17 | Release date: | 2024-09-11 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Substrate specificity of a branch of aromatic dioxygenases determined by three distinct motifs. Nat Commun, 15, 2024
|
|
9CJ0
| |
4P1Q
| GREEN FLUORESCENT PROTEIN E222H VARIANT | Descriptor: | Green fluorescent protein, SODIUM ION | Authors: | Klein, M, Carius, Y, Auerbach, D, Franz, S, Jung, G, Lancaster, C.R.D. | Deposit date: | 2014-02-27 | Release date: | 2014-07-16 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Replacement of Highly Conserved E222 by the Photostable Non-photoconvertible Histidine in GFP. Chembiochem, 15, 2014
|
|
9FAZ
| Gcase in complex with small molecule inhibitor 1 | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Tisi, D, Cleasby, A. | Deposit date: | 2024-05-10 | Release date: | 2024-07-03 | Last modified: | 2024-07-24 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Fragment-Based Discovery of a Series of Allosteric-Binding Site Modulators of beta-Glucocerebrosidase. J.Med.Chem., 67, 2024
|
|
4P62
| |
9BDY
| AT-centric NF-kappaB RelA binding DNA | Descriptor: | ACETATE ION, DNA (5'-D(*CP*GP*GP*AP*AP*TP*TP*TP*CP*CP*CP*G)-3'), DNA (5'-D(*CP*GP*GP*GP*AP*AP*AP*TP*TP*CP*CP*G)-3'), ... | Authors: | Biswas, T, Shahabi, S, Tsodikov, O.V, Ghosh, G. | Deposit date: | 2024-04-13 | Release date: | 2024-08-07 | Last modified: | 2024-08-21 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Transient interactions modulate the affinity of NF-kappa B transcription factors for DNA. Proc.Natl.Acad.Sci.USA, 121, 2024
|
|
4P6B
| Crystal structure of Est-Y29,a novel penicillin-binding protein/beta-lactamase homolog from a metagenomic library | Descriptor: | Est-Y29 | Authors: | Ngo, T.D, Ryu, B.H, Ju, H.S, Jang, E.J, Kim, K.K, Kim, D.H. | Deposit date: | 2014-03-24 | Release date: | 2014-09-10 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystallographic analysis and biochemical applications of a novel penicillin-binding protein/ beta-lactamase homologue from a metagenomic library. Acta Crystallogr.,Sect.D, 70, 2014
|
|
9BD2
| MAGE-A3 MHD crystal soaked with KL861 | Descriptor: | (furan-2-yl)[4-({(5P)-5-(1H-indazol-4-yl)-2-[3-(morpholin-4-yl)propoxy]phenyl}methyl)piperazin-1-yl]methanone, Melanoma-associated antigen 3 | Authors: | Butrin, A, Krone, M.W, Li, K, Bond, M.J, Linhares, B.M, Crews, C. | Deposit date: | 2024-04-10 | Release date: | 2024-09-18 | Last modified: | 2024-09-25 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | Development of Ligands and Degraders Targeting MAGE-A3. J.Am.Chem.Soc., 146, 2024
|
|
9BBI
| Co-crystal structure of human DDB1 bound to fragment UB028669 | Descriptor: | 3-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline, DNA damage-binding protein 1, L(+)-TARTARIC ACID, ... | Authors: | Zeng, H, Dong, A, Frommlet, A, Seitova, A, Loppnau, P, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | Deposit date: | 2024-04-05 | Release date: | 2024-06-12 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Co-crystal structure of human DDB1 bound to fragment UB028669 To be published
|
|
9FLT
| Crystal structure of human Haspin (GSG2) kinase bound to chemical probe MU1920 | Descriptor: | NICKEL (II) ION, Serine/threonine-protein kinase haspin, ~{N}-(1,4-dimethylpyrazol-3-yl)-3-pyridin-4-yl-thieno[3,2-b]pyridin-5-amine | Authors: | Kraemer, A, Paruch, K, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2024-06-05 | Release date: | 2024-09-11 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structure of human Haspin (GSG2) kinase bound to chemical probe MU1920 To Be Published
|
|
6MHK
| |
9J9C
| |
4P76
| Cellular response to a crystal-forming protein | Descriptor: | Photoconvertible fluorescent protein, SODIUM ION | Authors: | Tsutsui, H, Jinno, Y, Shoda, K, Tomita, A, Matsuda, M, Yamashita, E, Katayama, H, Nakagawa, A, Miyawaki, A. | Deposit date: | 2014-03-26 | Release date: | 2015-04-29 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | A diffraction-quality protein crystal processed as an autophagic cargo Mol.Cell, 58, 2015
|
|
9CU9
| Crystal structure of Staphylococcal nuclease variant Delta+PHS V23D/L36K at cryogenic temperature | Descriptor: | CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease | Authors: | Zhang, Y, Schlessman, J.L, Robinson, A.C, Garcia-Moreno E, B. | Deposit date: | 2024-07-26 | Release date: | 2024-08-28 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of Staphylococcal nuclease variant Delta+PHS V23D/L36K at cryogenic temperature To Be Published
|
|
9B74
| |
9ENG
| Structure of K.pneumoniae LpxH in complex with EBL-3218 | Descriptor: | MANGANESE (II) ION, UDP-2,3-diacylglucosamine hydrolase, ~{N}-[4-[4-[3,5-bis(chloranyl)phenyl]piperazin-1-yl]sulfonylphenyl]-3-(methylsulfonylamino)benzamide | Authors: | Sooriyaarachchi, S, Bergfors, T, Jones, T.A, Mowbray, S.L. | Deposit date: | 2024-03-12 | Release date: | 2024-09-18 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Design, synthesis, and in vitro biological evaluation of meta-sulfonamidobenzamide-based antibacterial LpxH inhibitors. Eur.J.Med.Chem., 278, 2024
|
|
9BE1
| CG-centric NF-kappaB RelA binding DNA | Descriptor: | ACETATE ION, DNA (5'-D(*CP*GP*GP*GP*AP*AP*TP*TP*TP*CP*CP*GP*CP*GP*GP*AP*AP*AP*TP*TP*CP*CP*CP*G)-3'), ZINC ION | Authors: | Biswas, T, Shahabi, S, Tsodikov, O.V, Wang, V, Ghosh, G. | Deposit date: | 2024-04-13 | Release date: | 2024-08-07 | Last modified: | 2024-08-21 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Transient interactions modulate the affinity of NF-kappa B transcription factors for DNA. Proc.Natl.Acad.Sci.USA, 121, 2024
|
|
4P34
| Crystal structure of DJ-1 in sulfenic acid form (fresh crystal) | Descriptor: | PENTAETHYLENE GLYCOL, Protein DJ-1 | Authors: | Tashiro, S, Wu, C.-X, Hoang, Q.Q, Caaveiro, J.M.M, Tsumoto, K. | Deposit date: | 2014-03-05 | Release date: | 2014-04-09 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Thermodynamic and Structural Characterization of the Specific Binding of Zn(II) to Human Protein DJ-1. Biochemistry, 53, 2014
|
|
8XJJ
| Co-crystal structure of SOS-1 and a potent, selective and orally bioavailable SOS1 inhibitor RGT-018 | Descriptor: | 1,2-ETHANEDIOL, 5-[4-[[(1~{R})-1-[3-[bis(fluoranyl)methyl]-2-fluoranyl-phenyl]ethyl]amino]-2-methyl-6-morpholin-4-yl-7-oxidanylidene-pyrido[4,3-d]pyrimidin-8-yl]pyridine-2-carbonitrile, Son of sevenless homolog 1 | Authors: | Ren, X. | Deposit date: | 2023-12-21 | Release date: | 2024-08-14 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Discovery of RGT-018: a Potent, Selective and Orally Bioavailable SOS1 Inhibitor for KRAS-driven Cancers. Mol.Cancer Ther., 2024
|
|
9CIJ
| Crystal structure of Staphylococcal nuclease variant Delta+PHS V23E/L36R at cryogenic temperature | Descriptor: | CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease | Authors: | Zhang, Y, Schlessman, L.J, Siegler, M.A, Garcia-Moreno E, B. | Deposit date: | 2024-07-03 | Release date: | 2024-08-07 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of Staphylococcal nuclease variant Delta+PHS V23E/L36R at cryogenic temperature To Be Published
|
|
4P2X
| Swapped Dimer of Mycobacterial Adenylyl cyclase Rv1625c: Form 2 | Descriptor: | Adenylate cyclase, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Barathy, D.V, Mattoo, R, Visweswariah, S.S, Suguna, K. | Deposit date: | 2014-03-05 | Release date: | 2014-09-17 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | New structural forms of a mycobacterial adenylyl cyclase Rv1625c. Iucrj, 1, 2014
|
|