3M0N
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7OQT
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1RWW
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1RWX
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8KI0
| Crystal structure of the hemophore HasA from Pseudomonas protegens Pf-5 capturing Fe-tetraphenylporphyrin | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, GLYCEROL, Heme acquisition protein HasAp, ... | Authors: | Shisaka, Y, Inaba, H, Sugimoto, H, Shoji, O. | Deposit date: | 2023-08-22 | Release date: | 2024-03-27 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Heme-substituted protein assembly bridged by synthetic porphyrin: achieving controlled configuration while maintaining rotational freedom. Rsc Adv, 14, 2024
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7RE5
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5DGU
| Crystal Structure of HIV-1 Protease Inhibitors Containing Substituted fused-Tetrahydropyranyl Tetrahydrofuran as P2-Ligand GRL-004-11A | Descriptor: | (3R,3aR,4S,7aS)-3-methoxyhexahydro-4H-furo[2,3-b]pyran-4-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate, ACETATE ION, CHLORIDE ION, ... | Authors: | Agniswamy, J, Wang, Y.-F, Weber, I.T. | Deposit date: | 2015-08-28 | Release date: | 2015-10-28 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.22 Å) | Cite: | Design, synthesis, biological evaluation and X-ray structural studies of HIV-1 protease inhibitors containing substituted fused-tetrahydropyranyl tetrahydrofuran as P2-ligands. Org.Biomol.Chem., 13, 2015
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3LZE
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6Y5M
| Crystal structure of mouse Autotaxin in complex with compound 1a | Descriptor: | (~{E})-3-[4-chloranyl-2-[(5-methyl-1,2,3,4-tetrazol-2-yl)methyl]phenyl]-1-[(2~{R})-4-[(4-fluorophenyl)methyl]-2-methyl-piperazin-1-yl]prop-2-en-1-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | Authors: | Faller, M, Zink, F. | Deposit date: | 2020-02-25 | Release date: | 2020-11-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.011 Å) | Cite: | Development of autotaxin inhibitors: A series of tetrazole cinnamides. Bioorg.Med.Chem.Lett., 31, 2021
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7RYX
| S. CEREVISIAE CYP51 COMPLEXED WITH VT-1129 | Descriptor: | (2R)-2-(2,4-difluorophenyl)-1,1-difluoro-3-(1H-tetrazol-1-yl)-1-{5-[4-(trifluoromethoxy)phenyl]pyridin-2-yl}propan-2-ol, Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Ruma, Y.N, Sagatova, A, Keniya, M.V, Tyndall, J.D, Monk, B.C. | Deposit date: | 2021-08-26 | Release date: | 2021-09-08 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Characterisation of Candida parapsilosis CYP51 as a Drug Target Using Saccharomyces cerevisiae as Host. J Fungi, 8, 2022
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3EGQ
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5OWL
| Low salt structure of human protein kinase CK2alpha in complex with 3-aminopropyl-4,5,6,7-tetrabromobenzimidazol | Descriptor: | 3-[4,5,6,7-tetrakis(bromanyl)benzimidazol-1-yl]propan-1-amine, Casein kinase II subunit alpha, GLYCEROL, ... | Authors: | Niefind, K, Bretner, M, Chojnacki, C. | Deposit date: | 2017-09-01 | Release date: | 2018-07-25 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | Biological properties and structural study of new aminoalkyl derivatives of benzimidazole and benzotriazole, dual inhibitors of CK2 and PIM1 kinases. Bioorg. Chem., 80, 2018
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8PP9
| Human inositol 1,4,5-trisphosphate 3-kinase A (IP3K) catalytic domain in complex with scyllo-inositol 1,2,3,5-tetrakisphosphate/ADP/Mn | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Inositol-trisphosphate 3-kinase A, MANGANESE (II) ION, ... | Authors: | Marquez-Monino, M.A, Gonzalez, B. | Deposit date: | 2023-07-07 | Release date: | 2024-02-28 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Substrate promiscuity of inositol 1,4,5-trisphosphate kinase driven by structurally-modified ligands and active site plasticity. Nat Commun, 15, 2024
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8PPG
| Human inositol 1,4,5-trisphosphate 3-kinase A (IP3K) catalytic domain in complex with beta-D-glucopyranosyl 1,3,4,6-tetrakisphosphate/ADP/Mn after reaction | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Inositol-trisphosphate 3-kinase A, MANGANESE (II) ION, ... | Authors: | Marquez-Monino, M.A, Gonzalez, B. | Deposit date: | 2023-07-07 | Release date: | 2024-02-28 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Substrate promiscuity of inositol 1,4,5-trisphosphate kinase driven by structurally-modified ligands and active site plasticity. Nat Commun, 15, 2024
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8PPJ
| Human inositol 1,4,5-trisphosphate 3-kinase A (IP3K) catalytic domain in complex with beta-D-glucopyranosylmethanol 3,4,6,1'-tetrakisphosphate/ADP/Mn after reaction | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Inositol-trisphosphate 3-kinase A, MANGANESE (II) ION, ... | Authors: | Marquez-Monino, M.A, Gonzalez, B. | Deposit date: | 2023-07-07 | Release date: | 2024-02-28 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Substrate promiscuity of inositol 1,4,5-trisphosphate kinase driven by structurally-modified ligands and active site plasticity. Nat Commun, 15, 2024
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7ZU0
| HOPS tethering complex from yeast | Descriptor: | E3 ubiquitin-protein ligase PEP5, Vacuolar membrane protein PEP3, Vacuolar morphogenesis protein 6, ... | Authors: | Shvarev, D, Schoppe, J, Koenig, C, Perz, A, Fuellbrunn, N, Kiontke, S, Langemeyer, L, Januliene, D, Schnelle, K, Kuemmel, D, Froehlich, F, Moeller, A, Ungermann, C. | Deposit date: | 2022-05-11 | Release date: | 2022-09-28 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (4.4 Å) | Cite: | Structure of the endosomal CORVET tethering complex. Nat Commun, 15, 2024
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8JH1
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5OWH
| High salt structure of human protein kinase CK2alpha in complex with 3-aminopropyl-4,5,6,7-tetrabromobenzimidazol | Descriptor: | 3-[4,5,6,7-tetrakis(bromanyl)benzimidazol-1-yl]propan-1-amine, CHLORIDE ION, Casein kinase II subunit alpha | Authors: | Niefind, K, Bretner, M, Chojnacki, C. | Deposit date: | 2017-09-01 | Release date: | 2018-07-25 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Biological properties and structural study of new aminoalkyl derivatives of benzimidazole and benzotriazole, dual inhibitors of CK2 and PIM1 kinases. Bioorg. Chem., 80, 2018
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7MYC
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6A95
| Complex of voltage-gated sodium channel NavPaS from American cockroach Periplaneta americana bound with tetrodotoxin and Dc1a | Descriptor: | (1R,5R,6R,7R,9S,11S,12S,13S,14S)-3-amino-14-(hydroxymethyl)-8,10-dioxa-2,4-diazatetracyclo[7.3.1.1~7,11~.0~1,6~]tetradec-3-ene-5,9,12,13,14-pentol (non-preferred name), 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Shen, H.Z, li, Z.Q, Jiang, Y, Pan, X.J, Wu, J.P, Cristofori-Armstrong, B, Smith, J.J, Chin, Y.K.Y, Lei, J.L, Zhou, Q, King, G.F, Yan, N. | Deposit date: | 2018-07-11 | Release date: | 2018-08-08 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (2.6 Å) | Cite: | Structural basis for the modulation of voltage-gated sodium channels by animal toxins. Science, 362, 2018
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3NGL
| Crystal structure of bifunctional 5,10-methylenetetrahydrofolate dehydrogenase / cyclohydrolase from Thermoplasma acidophilum | Descriptor: | Bifunctional protein folD, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Sung, M.W, Lee, W.H, Hwang, K.Y. | Deposit date: | 2010-06-12 | Release date: | 2011-04-20 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structure of bifunctional 5,10-methylenetetrahydrofolate dehydrogenase/cyclohydrolase from Thermoplasma acidophilum Biochem.Biophys.Res.Commun., 406, 2011
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3NGX
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1J6S
| Crystal Structure of an RNA Tetraplex (UGAGGU)4 with A-tetrads, G-tetrads, U-tetrads and G-U octads | Descriptor: | 5'-R(*(BRUP*GP*AP*GP*GP*U)-3', BARIUM ION, SODIUM ION | Authors: | Pan, B, Xiong, Y, Shi, K, Deng, J, Sundaralingam, M. | Deposit date: | 2002-07-10 | Release date: | 2003-08-05 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Crystal structure of an RNA purine-rich tetraplex containing adenine tetrads:
implications for specific binding in RNA tetraplexes Structure, 11, 2003
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5CC9
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6CKT
| Crystal structure of 2,3,4,5-tetrahydropyridine-2,6-dicarboxylate N-succinyltransferase from Legionella pneumophila Philadelphia 1 | Descriptor: | 1,2-ETHANEDIOL, 2,3,4,5-tetrahydropyridine-2,6-dicarboxylate N-succinyltransferase | Authors: | Seattle Structural Genomics Center for Infectious Disease (SSGCID) | Deposit date: | 2018-02-28 | Release date: | 2018-03-21 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of 2,3,4,5-tetrahydropyridine-2,6-dicarboxylate N-succinyltransferase from Legionella pneumophila Philadelphia 1 to be published
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