8SG5
| Cytochrome P450 (CYP) 3A5 crystallized with clotrimazole | Descriptor: | 1-[(2-CHLOROPHENYL)(DIPHENYL)METHYL]-1H-IMIDAZOLE, Cytochrome P450 3A5, DODECYL NONA ETHYLENE GLYCOL ETHER, ... | Authors: | Hsu, M.H, Johnson, E.F. | Deposit date: | 2023-04-11 | Release date: | 2023-10-11 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Differential Effects of Clotrimazole on X-Ray Crystal Structures of Human Cytochromes P450 3A5 and 3A4. Drug Metab.Dispos., 51, 2023
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7E4P
| Crystal structure of tubulin in complex with Ansamitocin P3 | Descriptor: | (1S,2S,3S,5S,6S,16Z,18Z,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaen-6-yl 2-methylpropanoate, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | Authors: | Wang, Y, Li, W. | Deposit date: | 2021-02-14 | Release date: | 2022-02-16 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | C3 Ester Side Chain Plays a Pivotal Role in the Antitumor Activity of Maytansinoids To Be Published
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7E4Y
| Crystal structure of tubulin in complex with L-DM4-SMe | Descriptor: | (1S,2S,3S,5R,6S,16E,18E,20S,21R)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaen-6-yl (2S)-2-{methyl[3-methyl-3-(methyldisulfanyl)butanoyl]amino}propanoate (non-preferred name), 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | Authors: | Wang, Y, Li, W. | Deposit date: | 2021-02-16 | Release date: | 2022-02-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.708 Å) | Cite: | C3 Ester Side Chain Plays a Pivotal Role in the Antitumor Activity of Maytansinoids To Be Published
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3HMT
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8ALX
| Structure of human PD-L1 in complex with inhibitor | Descriptor: | 3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.]PYRAZOLE, AMINOMETHYLAMIDE, ACETATE ION, ... | Authors: | Rodriguez, I, Grudnik, P, Holak, T, Magiera-Mularz, K. | Deposit date: | 2022-08-01 | Release date: | 2023-08-16 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Structural and biological characterization of pAC65, a macrocyclic peptide that blocks PD-L1 with equivalent potency to the FDA-approved antibodies. Mol Cancer, 22, 2023
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3HMR
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8SPD
| Cytochrome P450 (CYP) 3A4 crystallized with clotrimazole | Descriptor: | 1-[(2-CHLOROPHENYL)(DIPHENYL)METHYL]-1H-IMIDAZOLE, Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Hsu, M.H, Johnson, E.F. | Deposit date: | 2023-05-02 | Release date: | 2023-10-11 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Differential Effects of Clotrimazole on X-Ray Crystal Structures of Human Cytochromes P450 3A5 and 3A4. Drug Metab.Dispos., 51, 2023
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5O45
| Structure of human PD-L1 in complex with inhibitor | Descriptor: | PHE-MEA-9KK-SAR-ASP-VAL-MEA-TYR-SAR-TRP-TYR-LEU-CCS-GLY-NH2, Programmed cell death 1 ligand 1 | Authors: | Magiera, K, Grudnik, P, Dubin, G, Holak, T.A. | Deposit date: | 2017-05-26 | Release date: | 2017-09-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (0.99 Å) | Cite: | Bioactive Macrocyclic Inhibitors of the PD-1/PD-L1 Immune Checkpoint. Angew. Chem. Int. Ed. Engl., 56, 2017
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6OYU
| Structure of an ancestral-reconstructed cytochrome P450 1B1 with alpha-naphthoflavone | Descriptor: | 2-PHENYL-4H-BENZO[H]CHROMEN-4-ONE, Cytochrome P450 1B1, GLYCEROL, ... | Authors: | Bart, A.G, Harris, K.L, Scott, E.E. | Deposit date: | 2019-05-15 | Release date: | 2020-03-18 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Structure of an ancestral mammalian family 1B1 cytochrome P450 with increased thermostability. J.Biol.Chem., 295, 2020
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3BM5
| Crystal structure of O-acetyl-serine sulfhydrylase from Entamoeba histolytica in complex with cysteine | Descriptor: | CYSTEINE, Cysteine synthase, PYRIDOXAL-5'-PHOSPHATE, ... | Authors: | Krishna, C, Kumar, M, Kumar, S, Gourinath, S. | Deposit date: | 2007-12-12 | Release date: | 2008-04-01 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structure of native O-acetyl-serine sulfhydrylase from Entamoeba histolytica and its complex with cysteine: structural evidence for cysteine binding and lack of interactions with serine acetyl transferase. Proteins, 72, 2008
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5JDS
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7EL6
| Structure of SMCR8 bound FEM1B | Descriptor: | Protein fem-1 homolog B,Guanine nucleotide exchange protein SMCR8 | Authors: | Zhao, S, Xu, C. | Deposit date: | 2021-04-08 | Release date: | 2021-05-12 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.802 Å) | Cite: | Structural insights into SMCR8 C-degron recognition by FEM1B. Biochem.Biophys.Res.Commun., 557, 2021
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8AAV
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5T76
| A fragment of a human tRNA synthetase | Descriptor: | Alanine--tRNA ligase, cytoplasmic | Authors: | Sun, L, Schimmel, P. | Deposit date: | 2016-09-02 | Release date: | 2016-11-30 | Last modified: | 2017-01-04 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Two crystal structures reveal design for repurposing the C-Ala domain of human AlaRS. Proc. Natl. Acad. Sci. U.S.A., 113, 2016
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8F5Y
| Crystal structure of pregnane X receptor ligand binding domain complexed with JQ1 | Descriptor: | (6S)-6-(2-tert-butoxy-2-oxoethyl)-4-(4-chlorophenyl)-2,3,9-trimethyl-6,7-dihydrothieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-10-ium, Nuclear receptor coactivator 1, Nuclear receptor subfamily 1 group I member 2 | Authors: | Huber, A.D, Poudel, S, Seetharaman, J, Miller, D.J, Chen, T. | Deposit date: | 2022-11-15 | Release date: | 2024-02-21 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | A bromodomain-independent mechanism of gene regulation by the BET inhibitor JQ1: direct activation of nuclear receptor PXR. Nucleic Acids Res., 52, 2024
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6YMA
| MicroED structure of acetazolamide-bound human carbonic anhydrase II | Descriptor: | 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, DIMETHYL SULFOXIDE, ZINC ION, ... | Authors: | Clabbers, M.T.B, Fisher, S.Z, Coincon, M, Zou, X, Xu, H. | Deposit date: | 2020-04-08 | Release date: | 2020-08-12 | Last modified: | 2024-01-24 | Method: | ELECTRON CRYSTALLOGRAPHY (2.5 Å) | Cite: | Visualizing drug binding interactions using microcrystal electron diffraction. Commun Biol, 3, 2020
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6L99
| Zinc finger of RING finger protein 144A | Descriptor: | E3 ubiquitin-protein ligase RNF144A, ZINC ION | Authors: | Miyamoto, K. | Deposit date: | 2019-11-08 | Release date: | 2020-11-11 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Zinc finger of RING finger protein 144A To Be Published
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3JPU
| LasR-TP4 complex | Descriptor: | 4-bromo-2-({[(2-chlorophenyl)carbonyl]amino}methyl)-6-methylphenyl 2,4-dichlorobenzoate, Transcriptional activator protein lasR | Authors: | Zou, Y, Nair, S.K. | Deposit date: | 2009-09-04 | Release date: | 2009-10-13 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Molecular basis for the recognition of structurally distinct autoinducer mimics by the Pseudomonas aeruginosa LasR quorum-sensing signaling receptor. Chem.Biol., 16, 2009
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3CI1
| Structure of the PduO-type ATP:co(I)rrinoid adenosyltransferase from Lactobacillus reuteri complexed with four-coordinate cob(II)alamin and ATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, COBALAMIN, Cobalamin adenosyltransferase PduO-like protein, ... | Authors: | Maurice, M.St, Mera, P.E, Escalante-Semerena, J.C, Rayment, I. | Deposit date: | 2008-03-10 | Release date: | 2008-05-27 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural characterization of a human-type corrinoid adenosyltransferase confirms that coenzyme B12 is synthesized through a four-coordinate intermediate. Biochemistry, 47, 2008
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5Y0G
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1E65
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5A1P
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3FJ4
| Crystal structure of muconate lactonizing enzyme from Pseudomonas Fluorescens complexed with muconolactone | Descriptor: | MAGNESIUM ION, Muconate cycloisomerase, [(2S)-5-oxo-2,5-dihydrofuran-2-yl]acetic acid | Authors: | Fedorov, A.A, Fedorov, E.V, Sakai, A, Gerlt, J.A, Almo, S.C, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2008-12-14 | Release date: | 2009-03-31 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Evolution of enzymatic activities in the enolase superfamily: stereochemically distinct mechanisms in two families of cis,cis-muconate lactonizing enzymes Biochemistry, 48, 2009
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3FFP
| X ray structure of the complex between carbonic anhydrase II and LC inhibitors | Descriptor: | 2-(1,3-thiazol-4-yl)-1H-benzimidazole-5-sulfonamide, BENZOIC ACID, Carbonic anhydrase 2, ... | Authors: | Temperini, C, Crocetti, L, Scozzafava, A, Supuran, C.T. | Deposit date: | 2008-12-04 | Release date: | 2009-08-18 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | A thiabendazole sulfonamide shows potent inhibitory activity against mammalian and nematode alpha-carbonic anhydrases Bioorg.Med.Chem.Lett., 19, 2009
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7JJQ
| Human Hemoglobin in Complex with Nitrosoamphetamine | Descriptor: | (2R)-N-hydroxy-1-phenylpropan-2-amine, GLYCEROL, Hemoglobin subunit alpha, ... | Authors: | Powell, S.M, Thomas, L.M, Richter-Addo, G.B. | Deposit date: | 2020-07-27 | Release date: | 2020-11-11 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | The nitrosoamphetamine metabolite is accommodated in the active site of human hemoglobin: Spectroscopy and crystal structure. J.Inorg.Biochem., 213, 2020
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