7VV0
 
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7VV6
 | | Cryo-EM structure of pseudoallergen receptor MRGPRX2 complex with C48/80 (local) | | Descriptor: | 2-[4-methoxy-3-[[2-methoxy-3-[[2-methoxy-5-[2-(methylamino)ethyl]phenyl]methyl]-5-[2-(methylamino)ethyl]phenyl]methyl]phenyl]-~{N}-methyl-ethanamine, CHOLESTEROL, Mas-related G-protein coupled receptor member X2 | | Authors: | Li, Y, Yang, F. | | Deposit date: | 2021-11-04 | | Release date: | 2021-12-01 | | Last modified: | 2022-07-20 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Structure, function and pharmacology of human itch receptor complexes.
Nature, 600, 2021
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7VUY
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7VV3
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7SEG
 | | Crystal structure of the complex of CD16A bound by an anti-CD16A Fab | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ... | | Authors: | Kiefer, J.R, Wallweber, H.A, Polson, A.G. | | Deposit date: | 2021-09-30 | | Release date: | 2021-11-24 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.156 Å) | | Cite: | A BCMA/CD16A bispecific innate cell engager for the treatment of multiple myeloma.
Leukemia, 36, 2022
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6XE4
 | | BTK Fluorocyclopropyl amide inhibitor, Compound 25 | | Descriptor: | (1S,2S)-N-[2'-(6-tert-butyl-8-fluoro-1-oxophthalazin-2(1H)-yl)-3'-(hydroxymethyl)-1-methyl-6-oxo[1,6-dihydro[3,4'-bipyridine]]-5-yl]-2-fluorocyclopropane-1-carboxamide, SULFATE ION, Tyrosine-protein kinase BTK | | Authors: | Kiefer, J.R, Crawford, J.J, Lee, W, Eigenbrot, C, Yu, C. | | Deposit date: | 2020-06-11 | | Release date: | 2020-07-22 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Stereochemical Differences in Fluorocyclopropyl Amides Enable Tuning of Btk Inhibition and Off-Target Activity.
Acs Med.Chem.Lett., 11, 2020
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5U1R
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6PGO
 | | Crystal structure of human KRAS G12C covalently bound to a phthalazine inhibitor | | Descriptor: | 1-{4-[7-chloro-6-(2-fluoro-6-hydroxyphenyl)-4-phenylphthalazin-1-yl]piperazin-1-yl}propan-1-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Mohr, C. | | Deposit date: | 2019-06-24 | | Release date: | 2019-12-25 | | Last modified: | 2020-01-22 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Discovery of a Covalent Inhibitor of KRASG12C(AMG 510) for the Treatment of Solid Tumors.
J.Med.Chem., 63, 2020
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7S05
 | | Cryo-EM structure of human GlcNAc-1-phosphotransferase A2B2 subcomplex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Li, H, Li, H. | | Deposit date: | 2021-08-30 | | Release date: | 2022-03-30 | | Last modified: | 2022-04-27 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structure of the human GlcNAc-1-phosphotransferase alpha beta subunits reveals regulatory mechanism for lysosomal enzyme glycan phosphorylation.
Nat.Struct.Mol.Biol., 29, 2022
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7S06
 | | Cryo-EM structure of human GlcNAc-1-phosphotransferase A2B2 subcomplex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, N-acetylglucosamine-1-phosphotransferase subunits alpha/beta | | Authors: | Li, H, Li, H. | | Deposit date: | 2021-08-30 | | Release date: | 2022-03-30 | | Last modified: | 2022-04-27 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Structure of the human GlcNAc-1-phosphotransferase alpha beta subunits reveals regulatory mechanism for lysosomal enzyme glycan phosphorylation.
Nat.Struct.Mol.Biol., 29, 2022
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5U17
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5U2V
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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
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5U16
 | | Structure of human MR1-2-OH-1-NA in complex with human MAIT A-F7 TCR | | Descriptor: | 2-hydroxynaphthalene-1-carbaldehyde, Beta-2-microglobulin, CHLORIDE ION, ... | | Authors: | Keller, A.N, Birkinshaw, R.W, Rossjohn, J. | | Deposit date: | 2016-11-27 | | Release date: | 2017-02-15 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Drugs and drug-like molecules can modulate the function of mucosal-associated invariant T cells.
Nat. Immunol., 18, 2017
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5K4I
 | | Crystal Structure of ERK2 in complex with compound 22 | | Descriptor: | 1,2-ETHANEDIOL, 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, Mitogen-activated protein kinase 1 | | Authors: | Yin, J, Wang, W. | | Deposit date: | 2016-05-20 | | Release date: | 2016-07-06 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.76 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
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5U6Q
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7L5B
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7KS9
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5ZAT
 | | Crystal structure of 5-carboxylcytosine containing decamer dsDNA | | Descriptor: | DNA (5'-D(*CP*CP*AP*GP*(CAC)P*GP*CP*TP*GP*G)-3') | | Authors: | Fu, T.R, Zhang, L. | | Deposit date: | 2018-02-08 | | Release date: | 2019-02-13 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.06 Å) | | Cite: | Thymine DNA glycosylase recognizes the geometry alteration of minor grooves induced by 5-formylcytosine and 5-carboxylcytosine.
Chem Sci, 10, 2019
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5AGT
 | | Crystal structure of the LeuRS editing domain of Mycobacterium tuberculosis in complex with the adduct (S)-3-(Aminomethyl)-4-chloro-7-ethoxybenzo[c][1,2]oxaborol-1(3H)-ol-AMP | | Descriptor: | 4-Chloro-3-aminomethyl-7-[ethoxy]-3H-benzo[C][1,2]oxaborol-1-ol modified adenosine, GLYCEROL, LEUCINE--TRNA LIGASE, ... | | Authors: | Palencia, A, Li, X, Alley, M.R.K, Ding, C, Easom, E.E, Hernandez, V, Meewan, M, Mohan, M, Rock, F.L, Franzblau, S.G, Wang, Y, Lenaerts, A.J, Parish, T, Cooper, C.B, Waters, M.G, Ma, Z, Mendoza, A, Barros, D, Cusack, S, Plattner, J.J. | | Deposit date: | 2015-02-03 | | Release date: | 2016-03-02 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Discovery of Novel Oral Protein Synthesis Inhibitors of Mycobacterium Tuberculosis that Target Leucyl-tRNA Synthetase.
Antimicrob.Agents Chemother., 60, 2016
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8HP3
 | | Crystal structure of meso-diaminopimelate dehydrogenase from Prevotella timonensis | | Descriptor: | 1,2-ETHANEDIOL, Meso-diaminopimelate D-dehydrogenase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Tan, Y, Song, W. | | Deposit date: | 2022-12-11 | | Release date: | 2023-12-13 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (3.07 Å) | | Cite: | Rational Design of Meso -Diaminopimelate Dehydrogenase with Enhanced Reductive Amination Activity for Efficient Production of d- p -Hydroxyphenylglycine.
Appl.Environ.Microbiol., 89, 2023
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8HP0
 | | Crystal structure of meso-diaminopimelate dehydrogenase from Prevotella timonensis | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Meso-diaminopimelate D-dehydrogenase, SULFATE ION | | Authors: | Tan, Y, Song, W. | | Deposit date: | 2022-12-11 | | Release date: | 2023-12-13 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.47 Å) | | Cite: | Rational Design of Meso -Diaminopimelate Dehydrogenase with Enhanced Reductive Amination Activity for Efficient Production of d- p -Hydroxyphenylglycine.
Appl.Environ.Microbiol., 89, 2023
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5AGS
 | | Crystal structure of the LeuRS editing domain of Mycobacterium tuberculosis in complex with the adduct 3-(Aminomethyl)-4-bromo-7-ethoxybenzo[c][1,2]oxaborol-1(3H)-ol-AMP | | Descriptor: | 3-(AMINOMETHYL)-4-BROMO-7-ETHOXYBENZO[C][1,2]OXABOROL-1(3H)-OL-MODIFIED ADENOSINE, LEUCYL-TRNA SYNTHETASE, METHIONINE | | Authors: | Palencia, A, Li, X, Alley, M.R.K, Ding, C, Easom, E.E, Hernandez, V, Meewan, M, Mohan, M, Rock, F.L, Franzblau, S.G, Wang, Y, Lenaerts, A.J, Parish, T, Cooper, C.B, Waters, M.G, Ma, Z, Mendoza, A, Barros, D, Cusack, S, Plattner, J.J. | | Deposit date: | 2015-02-03 | | Release date: | 2016-03-09 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | Discovery of Novel Oral Protein Synthesis Inhibitors of Mycobacterium Tuberculosis that Target Leucyl-tRNA Synthetase.
Antimicrob.Agents Chemother., 60, 2016
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8HPE
 | | Crystal structure of Leucine dehydrogenase | | Descriptor: | GLYCEROL, Leucine dehydrogenase, SULFATE ION | | Authors: | Li, X, Song, W. | | Deposit date: | 2022-12-12 | | Release date: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (3.22 Å) | | Cite: | A Tri-Enzyme Cascade for Efficient Production of L-2-Aminobutyrate from L-Threonine.
Chembiochem, 24, 2023
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8HR6
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