7JIU
 
 | | HUMAN PI3KDELTA IN COMPLEX WITH COMPOUND 2F | | Descriptor: | (3S)-3-benzyl-5-[9-ethyl-8-(2-methylpyrimidin-5-yl)-9H-purin-6-yl]-3-methyl-1,3-dihydro-2H-indol-2-one, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | Authors: | Lesburg, C.A, Augustin, M. | | Deposit date: | 2020-07-23 | | Release date: | 2021-06-30 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | Optimization of Versatile Oxindoles as Selective PI3K delta Inhibitors.
Acs Med.Chem.Lett., 11, 2020
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6D4A
 | | Cell Surface Receptor with Bound Ligand at 1.75-A Resolution | | Descriptor: | 2-aminoethyl 5-{[(4-cyclohexyl-1H-1,2,3-triazol-1-yl)acetyl]amino}-3,5,9-trideoxy-9-[(4-hydroxy-3,5-dimethylbenzene-1-carbonyl)amino]-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->6)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranoside, GLYCEROL, Myeloid cell surface antigen CD33 | | Authors: | Hermans, S.J, Miles, L.A, Parker, M.W. | | Deposit date: | 2018-04-17 | | Release date: | 2019-04-17 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.751 Å) | | Cite: | Small Molecule Binding to Alzheimer Risk Factor CD33 Promotes A beta Phagocytosis.
Iscience, 19, 2019
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7OL7
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7OL8
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7OL6
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7OMO
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7OLW
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7P8Q
 | | Structure of E.coli RlmJ in complex with an RNA conjugate (GA-SAM) | | Descriptor: | 5'-{[(3S)-3-amino-3-carboxypropyl](3-aminopropyl)amino}-5'-deoxyadenosine, RNA conjugate (GA-SAM), Ribosomal RNA large subunit methyltransferase J | | Authors: | Meynier, V, Catala, M, Oerum, S, Barraud, P, Tisne, C. | | Deposit date: | 2021-07-23 | | Release date: | 2022-06-01 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.289 Å) | | Cite: | Synthesis of RNA-cofactor conjugates and structural exploration of RNA recognition by an m6A RNA methyltransferase.
Nucleic Acids Res., 50, 2022
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7OLN
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7P7N
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6D97
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7OLB
 | | Crystal structure of Pab-AGOG, an 8-oxoguanine DNA glycosylase from Pyrococcus abyssi | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, CITRIC ACID, ... | | Authors: | Coste, F, Goffinont, S, Flament, D, Castaing, B. | | Deposit date: | 2021-05-19 | | Release date: | 2022-06-01 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Structural and functional determinants of the archaeal 8-oxoguanine-DNA glycosylase AGOG for DNA damage recognition and processing.
Nucleic Acids Res., 50, 2022
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7OMR
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7OLU
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6DBY
 | | Crystal structure of Nudix 1 from Arabidopsis thaliana | | Descriptor: | MAGNESIUM ION, Nudix hydrolase 1 | | Authors: | Noel, J.P, Thomas, S.T, Dudareva, N, Henry, L.K. | | Deposit date: | 2018-05-03 | | Release date: | 2018-09-19 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Contribution of isopentenyl phosphate to plant terpenoid metabolism.
Nat Plants, 4, 2018
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7P7O
 | | X-RAY CRYSTAL STRUCTURE OF SPOROSARCINA PASTEURII UREASE INHIBITED BY THE GOLD(I)-DIPHOSPHINE COMPOUND Au(PEt3)2Cl DETERMINED AT 1.87 ANGSTROMS | | Descriptor: | 1,2-ETHANEDIOL, NICKEL (II) ION, OXYGEN ATOM, ... | | Authors: | Mazzei, L, Ciurli, S, Cianci, M, Messori, L, Massai, L. | | Deposit date: | 2021-07-20 | | Release date: | 2022-06-01 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Medicinal Au(I) compounds targeting urease as prospective antimicrobial agents: unveiling the structural basis for enzyme inhibition.
Dalton Trans, 50, 2021
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6DC0
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7PAD
 | | The crystal structure of DW-0254 in complex with PDE6D | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, NICKEL (II) ION, ... | | Authors: | Beaumont, E, Williams, D. | | Deposit date: | 2021-07-29 | | Release date: | 2022-06-08 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | Validation of a small molecule inhibitor of PDE6D-RAS interaction with favorable anti-leukemic effects.
Blood Cancer J, 12, 2022
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7OMD
 | | Crystal structure of azacoelenterazine-bound Renilla reniformis luciferase variant RLuc8-D162A | | Descriptor: | 6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-(phenylmethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one, CHLORIDE ION, Coelenterazine h 2-monooxygenase, ... | | Authors: | Schenkmayerova, A, Janin, Y.L, Marek, M. | | Deposit date: | 2021-05-21 | | Release date: | 2022-06-01 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.601 Å) | | Cite: | Catalytic mechanism for Renilla-type luciferases
Nat Catal, 2023
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6D5K
 | | Structure of Human ATP:Cobalamin Adenosyltransferase bound to ATP, and Adenosylcobalamin | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5'-DEOXYADENOSINE, ADENOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Dodge, G.J, Campanello, G, Smith, J.L, Banerjee, R. | | Deposit date: | 2018-04-19 | | Release date: | 2018-10-10 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Sacrificial Cobalt-Carbon Bond Homolysis in Coenzyme B12as a Cofactor Conservation Strategy.
J. Am. Chem. Soc., 140, 2018
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7OPW
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7OL5
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6D71
 | | Crystal Structure of the Human Miro1 N-terminal GTPase bound to GTP | | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Mitochondrial Rho GTPase 1 | | Authors: | Smith, K.P, Focia, P.J, Rice, S.E, Freymann, D.M. | | Deposit date: | 2018-04-23 | | Release date: | 2019-10-09 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.7180779 Å) | | Cite: | Insight into human Miro1/2 domain organization based on the structure of its N-terminal GTPase.
J.Struct.Biol., 212, 2020
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7P0I
 | | Crystal structure of a CGRP receptor ectodomain heterodimer bound to macrocyclic inhibitor Compound 13 | | Descriptor: | (1S,20E)-10-(benzofuran-3-ylmethyl)-12-methyl-15,18-dioxa-5,9,12,24,26-pentazapentacyclo[20.5.2.11,4.13,7.025,28]hentriaconta-3(30),4,6,20,22(29),23,25(28)-heptaene-8,11,27-trione, Maltose/maltodextrin-binding periplasmic protein,Receptor activity-modifying protein 1,Calcitonin gene-related peptide type 1 receptor, TETRAETHYLENE GLYCOL, ... | | Authors: | Southall, S.M. | | Deposit date: | 2021-06-29 | | Release date: | 2022-06-15 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Novel Macrocyclic Antagonists of the Calcitonin Gene-Related Peptide Receptor: Design, Realization, and Structural Characterization of Protein-Ligand Complexes.
Acs Chem Neurosci, 13, 2022
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7P0F
 | | Crystal structure of a CGRP receptor ectodomain heterodimer bound to macrocyclic inhibitor HTL0028125 | | Descriptor: | (1S,10R,23E)-12-methyl-10-[(7-methyl-1H-indazol-5-yl)methyl]-15,18,21-trioxa-5,9,12,27,29-pentazapentacyclo[23.5.2.11,4.13,7.028,31]tetratriaconta-3(33),4,6,23,25(32),26,28(31)-heptaene-8,11,30-trione, Maltose/maltodextrin-binding periplasmic protein,Receptor activity-modifying protein 1,Calcitonin gene-related peptide type 1 receptor, TETRAETHYLENE GLYCOL, ... | | Authors: | Southall, S.M, Watson, S.P. | | Deposit date: | 2021-06-29 | | Release date: | 2022-06-15 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Novel Macrocyclic Antagonists of the Calcitonin Gene-Related Peptide Receptor: Design, Realization, and Structural Characterization of Protein-Ligand Complexes.
Acs Chem Neurosci, 13, 2022
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