7RP3
 
 | | Crystal structure of GNE-1952 alkylated KRAS G12C in complex with 2H11 CLAMP | | Descriptor: | 1,2-ETHANEDIOL, 1-[4-[6-chloranyl-7-(5-methyl-1~{H}-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]propan-1-one, GLYCEROL, ... | | Authors: | Oh, A, Tam, C, Wang, W. | | Deposit date: | 2021-08-03 | | Release date: | 2022-03-16 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Conformation-locking antibodies for the discovery and characterization of KRAS inhibitors.
Nat.Biotechnol., 40, 2022
|
|
7RP2
 | | Crystal structure of Kas G12C in complex with 2H11 CLAMP | | Descriptor: | 1,2-ETHANEDIOL, CACODYLATE ION, GTPase KRas, ... | | Authors: | Oh, A, Tam, C, Wang, W. | | Deposit date: | 2021-08-03 | | Release date: | 2022-03-16 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Conformation-locking antibodies for the discovery and characterization of KRAS inhibitors.
Nat.Biotechnol., 40, 2022
|
|
7RP4
 | | Crystal structure of KRAS G12C in complex with GNE-1952 | | Descriptor: | 1-[4-[6-chloranyl-7-(5-methyl-1~{H}-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]propan-1-one, GLYCEROL, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Oh, A, Tam, C, Wang, W. | | Deposit date: | 2021-08-03 | | Release date: | 2022-03-16 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Conformation-locking antibodies for the discovery and characterization of KRAS inhibitors.
Nat.Biotechnol., 40, 2022
|
|
5K1S
 | | crystal structure of AibC | | Descriptor: | Oxidoreductase, zinc-binding dehydrogenase family, ZINC ION | | Authors: | Bock, T, Mueller, R, Blankenfeldt, W. | | Deposit date: | 2016-05-18 | | Release date: | 2016-08-10 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Crystal structure of AibC, a reductase involved in alternative de novo isovaleryl coenzyme A biosynthesis in Myxococcus xanthus.
Acta Crystallogr.,Sect.F, 72, 2016
|
|
5JES
 | | Human carbonic anhydrase II (V121T) complexed with benzo[d]thiazole-2-sulfonamide | | Descriptor: | 1,3-benzothiazole-2-sulfonamide, Carbonic anhydrase 2, ZINC ION | | Authors: | Fox, J.M, Kang, K, Sastry, M, Sherman, W, Sankaran, B, Zwart, P.H, Whitesides, G.M. | | Deposit date: | 2016-04-18 | | Release date: | 2017-01-11 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.205 Å) | | Cite: | Water-Restructuring Mutations Can Reverse the Thermodynamic Signature of Ligand Binding to Human Carbonic Anhydrase.
Angew. Chem. Int. Ed. Engl., 56, 2017
|
|
5JGK
 | | Crystal structure of GtmA in complex with SAH | | Descriptor: | S-ADENOSYL-L-HOMOCYSTEINE, SULFATE ION, UbiE/COQ5 family methyltransferase, ... | | Authors: | Dolan, S.K, Bock, T, Hering, V, Jones, G.W, Blankenfeldt, W, Dolye, S. | | Deposit date: | 2016-04-20 | | Release date: | 2017-03-01 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.33 Å) | | Cite: | Structural, mechanistic and functional insight into gliotoxinbis-thiomethylation inAspergillus fumigatus.
Open Biol, 7, 2017
|
|
7TNT
 | | The tubulin-based conoid from detergent-extract Toxoplasma gondii cells | | Descriptor: | Tubulin alpha chain, Tubulin beta chain | | Authors: | Sun, S.Y, Pintilie, G.D, Chen, M, Chiu, W. | | Deposit date: | 2022-01-21 | | Release date: | 2022-06-22 | | Method: | ELECTRON MICROSCOPY (9.3 Å) | | Cite: | Cryo-ET of Toxoplasma parasites gives subnanometer insight into tubulin-based structures.
Proc.Natl.Acad.Sci.USA, 119, 2022
|
|
7TNS
 | | Subpellicular microtubule from detergent-extract Toxoplasma gondii cells | | Descriptor: | Microtubule associated protein SPM1, PDI family protein, Tubulin alpha chain, ... | | Authors: | Sun, S.Y, Pintilie, G.D, Chen, M, Chiu, W. | | Deposit date: | 2022-01-21 | | Release date: | 2022-06-22 | | Method: | ELECTRON MICROSCOPY (6.7 Å) | | Cite: | Cryo-ET of Toxoplasma parasites gives subnanometer insight into tubulin-based structures.
Proc.Natl.Acad.Sci.USA, 119, 2022
|
|
5IWE
 | | E45Q mutant of phenazine biosynthesis protein PhzF in complex with (5R,6R)-6-azaniumyl-5-ethoxycyclohexa-1,3-diene-1-carboxylate | | Descriptor: | (5R,6R)-6-azaniumyl-5-ethoxycyclohexa-1,3-diene-1-carboxylate, 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Diederich, C, Blankenfeldt, W. | | Deposit date: | 2016-03-22 | | Release date: | 2017-03-29 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | Mechanisms and Specificity of Phenazine Biosynthesis Protein PhzF.
Sci Rep, 7, 2017
|
|
5J41
 | | Glutathione S-transferase bound with hydrolyzed Piperlongumine | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-(3,4,5-trimethoxyphenyl)propanoic acid, GLUTATHIONE, ... | | Authors: | Harshbarger, W, Gondi, S, Ficarro, S, Hunter, J, Udayakumar, D, Gurbani, D, Marto, J, Westover, K. | | Deposit date: | 2016-03-31 | | Release date: | 2016-11-30 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.19035351 Å) | | Cite: | Structural and Biochemical Analyses Reveal the Mechanism of Glutathione S-Transferase Pi 1 Inhibition by the Anti-cancer Compound Piperlongumine.
J. Biol. Chem., 292, 2017
|
|
1JIV
 | | T4 phage BGT in complex with Mg2+ : Form II | | Descriptor: | DNA BETA-GLUCOSYLTRANSFERASE, MAGNESIUM ION, URIDINE-5'-DIPHOSPHATE | | Authors: | Morera, S, Lariviere, L, Kurzeck, J, Aschke-Sonnenborn, U, Freemont, P.S, Janin, J, Ruger, W. | | Deposit date: | 2001-07-03 | | Release date: | 2001-08-15 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | High resolution crystal structures of T4 phage beta-glucosyltransferase: induced fit and effect of substrate and metal binding.
J.Mol.Biol., 311, 2001
|
|
1JJ9
 | | Crystal Structure of MMP8-Barbiturate Complex Reveals Mechanism for Collagen Substrate Recognition | | Descriptor: | 2-HYDROXY-5-[4-(2-HYDROXY-ETHYL)-PIPERIDIN-1-YL]-5-PHENYL-1H-PYRIMIDINE-4,6-DIONE, CALCIUM ION, Matrix Metalloproteinase 8, ... | | Authors: | Brandstetter, H, Grams, F, Glitz, D, Lang, A, Huber, R, Bode, W, Krell, H.-W, Engh, R.A. | | Deposit date: | 2001-07-04 | | Release date: | 2001-08-01 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The 1.8-A crystal structure of a matrix metalloproteinase 8-barbiturate inhibitor complex reveals a previously unobserved mechanism for collagenase substrate recognition.
J.Biol.Chem., 276, 2001
|
|
5K02
 | | Structure of human SOD1 with T2D mutation | | Descriptor: | COPPER (II) ION, Superoxide dismutase [Cu-Zn], ZINC ION | | Authors: | Fay, J.M, Zhu, C, Cui, W, Ke, H, Dokholyan, N.V. | | Deposit date: | 2016-05-17 | | Release date: | 2016-11-23 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | A Phosphomimetic Mutation Stabilizes SOD1 and Rescues Cell Viability in the Context of an ALS-Associated Mutation.
Structure, 24, 2016
|
|
5K4J
 | | Crystal Structure of CDK2 in complex with compound 22 | | Descriptor: | 1-[(1~{S})-1-(4-chloranyl-3-fluoranyl-phenyl)-2-oxidanyl-ethyl]-4-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one, Cyclin-dependent kinase 2 | | Authors: | Yin, J, Wang, W. | | Deposit date: | 2016-05-20 | | Release date: | 2016-07-06 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Discovery of (S)-1-(1-(4-Chloro-3-fluorophenyl)-2-hydroxyethyl)-4-(2-((1-methyl-1H-pyrazol-5-yl)amino)pyrimidin-4-yl)pyridin-2(1H)-one (GDC-0994), an Extracellular Signal-Regulated Kinase 1/2 (ERK1/2) Inhibitor in Early Clinical Development.
J.Med.Chem., 59, 2016
|
|
5K7F
 | | Crystal structure of apo AibR | | Descriptor: | ACETATE ION, Transcriptional regulator, TetR family | | Authors: | Bock, T, Volz, C, Mueller, R, Blankenfeldt, W. | | Deposit date: | 2016-05-26 | | Release date: | 2016-12-21 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The AibR-isovaleryl coenzyme A regulator and its DNA binding site - a model for the regulation of alternative de novo isovaleryl coenzyme A biosynthesis in Myxococcus xanthus.
Nucleic Acids Res., 45, 2017
|
|
5KA9
 | | Protein Tyrosine Phosphatase 1B L192A mutant in complex with TCS401, open state | | Descriptor: | 2-(OXALYL-AMINO)-4,5,6,7-TETRAHYDRO-THIENO[2,3-C]PYRIDINE-3-CARBOXYLIC ACID, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ... | | Authors: | Choy, M.S, Peti, W, Page, R. | | Deposit date: | 2016-06-01 | | Release date: | 2017-03-01 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Conformational Rigidity and Protein Dynamics at Distinct Timescales Regulate PTP1B Activity and Allostery.
Mol. Cell, 65, 2017
|
|
7TIN
 | | The Structure of S. aureus MenD | | Descriptor: | 2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate synthase, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Johnston, J.M, Stanborough, T, Ho, N.A.T, Akazong, E.W, Jiao, W. | | Deposit date: | 2022-01-14 | | Release date: | 2022-09-14 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Allosteric inhibition of Staphylococcus aureus MenD by 1,4-dihydroxy naphthoic acid: a feedback inhibition mechanism of the menaquinone biosynthesis pathway.
Philos.Trans.R.Soc.Lond.B Biol.Sci., 378, 2023
|
|
5JPF
 | | Serine/Threonine phosphatase Z1 (Candida albicans) binds to inhibitor microcystin-LR | | Descriptor: | MALONATE ION, MANGANESE (II) ION, Microcystin-LR, ... | | Authors: | Choy, M.S, Chen, E.H, Peti, W, Page, R. | | Deposit date: | 2016-05-03 | | Release date: | 2016-08-31 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.39929724 Å) | | Cite: | Molecular Insights into the Fungus-Specific Serine/Threonine Protein Phosphatase Z1 in Candida albicans.
Mbio, 7, 2016
|
|
5JQ4
 | | Structure of a GNAT acetyltransferase SACOL1063 from Staphylococcus aureus | | Descriptor: | 1,2-ETHANEDIOL, Acetyltransferase SACOL1063, CHLORIDE ION, ... | | Authors: | Majorek, K.A, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2016-05-04 | | Release date: | 2016-06-29 | | Last modified: | 2022-04-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Insight into the 3D structure and substrate specificity of previously uncharacterized GNAT superfamily acetyltransferases from pathogenic bacteria.
Biochim.Biophys.Acta, 1865, 2016
|
|
5JRB
 | | Rad52(1-212) K102A/K133A/E202A mutant | | Descriptor: | DNA repair protein RAD52 homolog | | Authors: | Saotome, M, Saito, K, Kurumizaka, H, Kagawa, W. | | Deposit date: | 2016-05-06 | | Release date: | 2016-08-10 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.405 Å) | | Cite: | Structure of the human DNA-repair protein RAD52 containing surface mutations.
Acta Crystallogr.,Sect.F, 72, 2016
|
|
5KFY
 | |
5K79
 | | Structure and anti-HIV activity of CYT-CVNH, a new cyanovirin-n homolog | | Descriptor: | 1,2-ETHANEDIOL, Cyanovirin-N domain protein, DI(HYDROXYETHYL)ETHER | | Authors: | Matei, E, Basu, R, Furey, W, Shi, J, Calnan, C, Aiken, C, Gronenborn, A.M. | | Deposit date: | 2016-05-25 | | Release date: | 2016-07-20 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structure and Glycan Binding of a New Cyanovirin-N Homolog.
J.Biol.Chem., 291, 2016
|
|
5KA0
 | | Protein Tyrosine Phosphatase 1B Delta helix 7, open state | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, GLYCEROL, ... | | Authors: | Choy, M.S, Peti, W, Page, R. | | Deposit date: | 2016-06-01 | | Release date: | 2017-03-01 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.991 Å) | | Cite: | Conformational Rigidity and Protein Dynamics at Distinct Timescales Regulate PTP1B Activity and Allostery.
Mol. Cell, 65, 2017
|
|
5KAD
 | | Protein Tyrosine Phosphatase 1B N193A mutant in complex with TCS401, closed state | | Descriptor: | 2-(OXALYL-AMINO)-4,5,6,7-TETRAHYDRO-THIENO[2,3-C]PYRIDINE-3-CARBOXYLIC ACID, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ... | | Authors: | Choy, M.S, Peti, W, Page, R. | | Deposit date: | 2016-06-01 | | Release date: | 2017-03-01 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Conformational Rigidity and Protein Dynamics at Distinct Timescales Regulate PTP1B Activity and Allostery.
Mol. Cell, 65, 2017
|
|
5KFC
 | |
