8FGA
| Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-(5-(2-(dimethylamino)ethyl)-2,3-difluorophenethyl)-4-methylpyridin-2-amine | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6-(2-{5-[2-(dimethylamino)ethyl]-2,3-difluorophenyl}ethyl)-4-methylpyridin-2-amine, ACETATE ION, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2022-12-12 | Release date: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.8947 Å) | Cite: | Potent, Selective, and Membrane Permeable 2-Amino-4-Substituted Pyridine-Based Neuronal Nitric Oxide Synthase Inhibitors. J.Med.Chem., 66, 2023
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8FG9
| Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-(5-(2-(dimethylamino)ethyl)-2,3-difluorophenethyl)pyridin-2-amine | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6-(2-{5-[2-(dimethylamino)ethyl]-2,3-difluorophenyl}ethyl)pyridin-2-amine, ACETATE ION, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2022-12-12 | Release date: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Potent, Selective, and Membrane Permeable 2-Amino-4-Substituted Pyridine-Based Neuronal Nitric Oxide Synthase Inhibitors. J.Med.Chem., 66, 2023
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8FFF
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8FDV
| LSD1-CoREST in complex N-formyl FAD and SNAG peptide | Descriptor: | Lysine-specific histone demethylase 1A, REST corepressor 1, Zinc finger protein SNAI1, ... | Authors: | Caroli, J, Mattevi, A. | Deposit date: | 2022-12-05 | Release date: | 2024-06-12 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Distal drug resistance mutations promote covalent inhibitor-adduct Grob fragmentation in LSD1 to be published
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8FDM
| Human Hemoglobin in Complex with Nitrosomethane | Descriptor: | GLYCEROL, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | Authors: | Powell, S.M, Richter-Addo, G.B, Thomas, L.M. | Deposit date: | 2022-12-03 | Release date: | 2023-07-12 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Crystal structural investigations of heme protein derivatives resulting from reactions of aryl- and alkylhydroxylamines with human hemoglobin. J.Inorg.Biochem., 246, 2023
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8FBQ
| Crystal structure of Plasmodium vivax glycylpeptide N-tetradecanoyltransferase (N-myristoyltransferase, NMT) bound to myristoyl-CoA and inhibitor 12b | Descriptor: | 1-[(3M)-3-{3-[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethoxy]pyridin-2-yl}phenyl]piperazine, ACETATE ION, CHLORIDE ION, ... | Authors: | Fenwick, M.K, Staker, B.L, Lovell, S.W, Phan, I.Q, Early, J, Myler, P.J, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | Deposit date: | 2022-11-29 | Release date: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Identification of potent and selective N-myristoyltransferase inhibitors of Plasmodium vivax liver stage hypnozoites and schizonts. Nat Commun, 14, 2023
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8FBH
| Crystal structure of NSD1 Mutant-T1927A | Descriptor: | Histone-lysine N-methyltransferase, H3 lysine-36 specific, S-ADENOSYLMETHIONINE, ... | Authors: | Providokhina, K, Dong, A, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2022-11-29 | Release date: | 2023-01-18 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | Crystal structure of NSD1 To Be Published
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8FBG
| Crystal structure of NSD1 Mutant-Y1869C | Descriptor: | CALCIUM ION, Histone-lysine N-methyltransferase, H3 lysine-36 specific, ... | Authors: | Providokhina, K, Dong, A, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2022-11-29 | Release date: | 2023-01-18 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | Crystal structure of NSD1 To Be Published
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8FBD
| Crystal structure of OrfX1-OrfX3 complex from Clostridium botulinum E1 | Descriptor: | ACETATE ION, Neurotoxin complex component Orf-X1, Neurotoxin complex component Orf-X3 | Authors: | Liu, S, Gao, L. | Deposit date: | 2022-11-29 | Release date: | 2022-12-21 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Crystal structures of OrfX1, OrfX2 and the OrfX1-OrfX3 complex from the orfX gene cluster of botulinum neurotoxin E1. Febs Lett., 597, 2023
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8F9P
| Dog sialic acid esterase (SIAE) inactive mutant S128A | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ... | Authors: | Ide, D, Gorelik, A, Illes, K, Nagar, B. | Deposit date: | 2022-11-24 | Release date: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Dog sialic acid esterase (SIAE) inactive mutant S128A To Be Published
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8F9H
| H64A swMb-MeNO adduct | Descriptor: | Myoglobin, NITROSOMETHANE, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Herrera, V.E, Thomas, L.M. | Deposit date: | 2022-11-23 | Release date: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Insights into Nitrosoalkane Binding to Myoglobin Provided by Crystallography of Wild-Type and Distal Pocket Mutant Derivatives. Biochemistry, 62, 2023
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8F93
| WDR5 covalently modified at Y228 by (R)-2-SF | Descriptor: | 3-ethynyl-5-{[(3R)-4-{1-[(2-methoxyphenyl)methyl]-1H-benzimidazole-5-carbonyl}-3-methylpiperazin-1-yl]methyl}benzene-1-sulfonyl fluoride, CHLORIDE ION, GLYCEROL, ... | Authors: | Taunton, J, Craven, G.B, Chen, Y. | Deposit date: | 2022-11-23 | Release date: | 2023-05-31 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Direct mapping of ligandable tyrosines and lysines in cells with chiral sulfonyl fluoride probes. Nat.Chem., 15, 2023
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8F8Z
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8F8Y
| PHF2 (PHD+JMJ) in Complex with VRK1 N-Terminal Peptide | Descriptor: | 1,2-ETHANEDIOL, Lysine-specific demethylase PHF2, SULFATE ION, ... | Authors: | Horton, J.R, Cheng, X. | Deposit date: | 2022-11-22 | Release date: | 2023-01-18 | Last modified: | 2023-02-08 | Method: | X-RAY DIFFRACTION (3.06 Å) | Cite: | A complete methyl-lysine binding aromatic cage constructed by two domains of PHF2. J.Biol.Chem., 299, 2022
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8F8K
| The structure of Rv2173 from M. tuberculosis with IPP bound | Descriptor: | (2E,6E)-farnesyl diphosphate synthase, 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, ACETATE ION, ... | Authors: | Johnston, J.M, Allison, T.M, Titterington, J, Beasley, C.P.H. | Deposit date: | 2022-11-22 | Release date: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The structure of Rv2173 from M. tuberculosis in APO-, IPP-, and DMAP-bound forms. To be Published
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8F86
| SIRT6 bound to an H3K9Ac nucleosome | Descriptor: | DNA (148-MER), Histone H2A type 1, Histone H2B, ... | Authors: | Markert, J, Whedon, S, Wang, Z, Cole, P, Farnung, L. | Deposit date: | 2022-11-21 | Release date: | 2023-04-05 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structural Basis of Sirtuin 6-Catalyzed Nucleosome Deacetylation. J.Am.Chem.Soc., 145, 2023
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8F7M
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8F73
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8F70
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8F6S
| LSD1-CoREST in complex with T105 | Descriptor: | 3-[(1R,2S)-2-(cyclobutylamino)cyclopropyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide, Lysine-specific histone demethylase 1A, REST corepressor 1, ... | Authors: | Caroli, J, Mattevi, A. | Deposit date: | 2022-11-17 | Release date: | 2024-06-12 | Method: | X-RAY DIFFRACTION (2.91 Å) | Cite: | Distal drug resistance mutations promote covalent inhibitor-adduct Grob fragmentation in LSD1 to be published
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8F60
| anti-BTLA monoclonal antibody r23C8 in complex with BTLA | Descriptor: | ACETATE ION, B- and T-lymphocyte attenuator, alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Hendle, J, Atwell, S, Lieu, R, Hickey, M, Weichert, K. | Deposit date: | 2022-11-15 | Release date: | 2023-05-24 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Epitope topography of agonist antibodies to the checkpoint inhibitory receptor BTLA. Structure, 31, 2023
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8F5N
| Identification of an Immunodominant region on a Group A Streptococcus T-antigen Reveals Temperature-Dependent Motion in Pili | Descriptor: | CALCIUM ION, Mouse-Human Fab heavy chain, Mouse-Human Fab light chain, ... | Authors: | Raynes, J.M, Young, P.G, Moreland, N.J. | Deposit date: | 2022-11-14 | Release date: | 2023-03-08 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Identification of an immunodominant region on a group A Streptococcus T-antigen reveals temperature-dependent motion in pili. Virulence, 14, 2023
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8F5A
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8F59
| LSD1-CoREST in complex with AW2 and SNAG peptide | Descriptor: | Lysine-specific histone demethylase 1A, REST corepressor 1, Zinc finger protein SNAI1, ... | Authors: | Caroli, J, Mattevi, A. | Deposit date: | 2022-11-12 | Release date: | 2024-06-12 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Distal drug resistance mutations promote covalent inhibitor-adduct Grob fragmentation in LSD1 to be published
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8F4V
| Alpha7 nicotinic acetylcholine receptor intracellular and transmembrane domains bound to ivermectin in a desensitized state | Descriptor: | (2aE,4E,5'S,6S,6'R,7S,8E,11R,13R,15S,17aR,20R,20aR,20bS)-6'-[(2S)-butan-2-yl]-20,20b-dihydroxy-5',6,8,19-tetramethyl-17 -oxo-3',4',5',6,6',10,11,14,15,17,17a,20,20a,20b-tetradecahydro-2H,7H-spiro[11,15-methanofuro[4,3,2-pq][2,6]benzodioxacy clooctadecine-13,2'-pyran]-7-yl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl)-3-O-methyl-alpha-L-arabino-hexopyranoside, Neuronal acetylcholine receptor subunit alpha-7 | Authors: | Bondarenko, V, Chen, Q, Tang, P. | Deposit date: | 2022-11-11 | Release date: | 2023-02-22 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structural Elucidation of Ivermectin Binding to alpha 7nAChR and the Induced Channel Desensitization. Acs Chem Neurosci, 14, 2023
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