6FYJ
| Cytochrome P450 peroxygenase CYP152K6 in complex with Myristic Acid | Descriptor: | DI(HYDROXYETHYL)ETHER, Fatty-acid peroxygenase, MYRISTIC ACID, ... | Authors: | Girvan, H.M, Poddar, H, Mclean, K.J, Leys, D, Munro, A.W. | Deposit date: | 2018-03-12 | Release date: | 2018-08-22 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Structural and catalytic properties of the peroxygenase P450 enzyme CYP152K6 from Bacillus methanolicus. J. Inorg. Biochem., 188, 2018
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7E99
| Oxy-deoxy intermediate of 400 kDa giant hemoglobin at 13% oxygen saturation | Descriptor: | Extracellular giant hemoglobin major globin subunit A1, Extracellular giant hemoglobin major globin subunit A2, Extracellular giant hemoglobin major globin subunit B2, ... | Authors: | Numoto, N, Kawano, Y, Okumura, H, Baba, S, Fukumori, Y, Miki, K, Ito, N. | Deposit date: | 2021-03-03 | Release date: | 2021-10-06 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Coarse snapshots of oxygen-dissociation intermediates of a giant hemoglobin elucidated by determining the oxygen saturation in individual subunits in the crystalline state. Iucrj, 8, 2021
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7MX3
| Crystal structure of human RIPK3 complexed with GSK'843 | Descriptor: | 1,2-ETHANEDIOL, 3-(1,3-benzothiazol-5-yl)-7-(1,3-dimethyl-1H-pyrazol-5-yl)thieno[3,2-c]pyridin-4-amine, Receptor-interacting serine/threonine-protein kinase 3 | Authors: | Davies, K.A, Czabotar, P.E. | Deposit date: | 2021-05-18 | Release date: | 2021-11-24 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (3.23 Å) | Cite: | Human RIPK3 maintains MLKL in an inactive conformation prior to cell death by necroptosis. Nat Commun, 12, 2021
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7E97
| Oxy-deoxy intermediate of 400 kDa giant hemoglobin at 58% oxygen saturation | Descriptor: | Extracellular giant hemoglobin major globin subunit A1, Extracellular giant hemoglobin major globin subunit A2, Extracellular giant hemoglobin major globin subunit B2, ... | Authors: | Numoto, N, Kawano, Y, Okumura, H, Baba, S, Fukumori, Y, Miki, K, Ito, N. | Deposit date: | 2021-03-03 | Release date: | 2021-10-06 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Coarse snapshots of oxygen-dissociation intermediates of a giant hemoglobin elucidated by determining the oxygen saturation in individual subunits in the crystalline state. Iucrj, 8, 2021
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4MPW
| Human beta-tryptase co-crystal structure with [(1,1,3,3-tetramethyldisiloxane-1,3-diyl)di-1-benzofuran-3,5-diyl]bis({4-[3-(aminomethyl)phenyl]piperidin-1-yl}methanone) | Descriptor: | ACETATE ION, CHLORIDE ION, TRIETHYLENE GLYCOL, ... | Authors: | White, A, Stein, A.J, Suto, R. | Deposit date: | 2013-09-13 | Release date: | 2015-03-18 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | A Novel, Nonpeptidic, Orally Active Bivalent Inhibitor of Human beta-Tryptase. Pharmacology, 102, 2018
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4MQA
| Human beta-tryptase co-crystal structure with {(1,1,3,3-tetramethyldisiloxane-1,3-diyl)bis[5-(methylsulfanyl)benzene-3,1-diyl]}bis({4-[3-(aminomethyl)phenyl]piperidin-1-yl}methanone) | Descriptor: | SULFATE ION, TETRAETHYLENE GLYCOL, Tryptase alpha/beta-1, ... | Authors: | White, A, Lakshminarasimhan, D, Suto, R. | Deposit date: | 2013-09-16 | Release date: | 2015-03-18 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Target-directed self-assembly of homodimeric drugs To be Published
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4MQJ
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6DO2
| Crystal structure of human GRP78 in complex with 7-deaza-2'-C-methyladenosine | Descriptor: | 7-(2-C-methyl-beta-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine, Endoplasmic reticulum chaperone BiP | Authors: | Ferrie, R.P, Chen, Y, Antoshchenko, T, Cooney, O.M, Huang, Y, Park, H.W. | Deposit date: | 2018-06-08 | Release date: | 2019-06-12 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structure of human GRP78 in complex with 7-deaza-2'-C-methyladenosine To Be Published
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7E98
| Oxy-deoxy intermediate of 400 kDa giant hemoglobin at 21% oxygen saturation | Descriptor: | Extracellular giant hemoglobin major globin subunit A1, Extracellular giant hemoglobin major globin subunit A2, Extracellular giant hemoglobin major globin subunit B2, ... | Authors: | Numoto, N, Kawano, Y, Okumura, H, Baba, S, Fukumori, Y, Miki, K, Ito, N. | Deposit date: | 2021-03-03 | Release date: | 2021-10-06 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Coarse snapshots of oxygen-dissociation intermediates of a giant hemoglobin elucidated by determining the oxygen saturation in individual subunits in the crystalline state. Iucrj, 8, 2021
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7E96
| Oxy-deoxy intermediate of 400 kDa giant hemoglobin at 69% oxygen saturation | Descriptor: | CALCIUM ION, Extracellular giant hemoglobin major globin subunit A1, Extracellular giant hemoglobin major globin subunit A2, ... | Authors: | Numoto, N, Kawano, Y, Okumura, H, Baba, S, Fukumori, Y, Miki, K, Ito, N. | Deposit date: | 2021-03-03 | Release date: | 2021-10-06 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Coarse snapshots of oxygen-dissociation intermediates of a giant hemoglobin elucidated by determining the oxygen saturation in individual subunits in the crystalline state. Iucrj, 8, 2021
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4MQ1
| The crystal structure of DYRK1a with a bound pyrido[2,3-d]pyrimidine inhibitor | Descriptor: | Dual specificity tyrosine-phosphorylation-regulated kinase 1A, N-(5-{[(1R)-3-amino-1-(3-chlorophenyl)propyl]carbamoyl}-2-chlorophenyl)-2-methoxy-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidine-6-carboxamide, PENTAETHYLENE GLYCOL, ... | Authors: | Lukacs, C.M, Janson, C.A, Garvie, C, Liang, L. | Deposit date: | 2013-09-15 | Release date: | 2013-12-11 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Pyrido[2,3-d]pyrimidines: Discovery and preliminary SAR of a novel series of DYRK1B and DYRK1A inhibitors. Bioorg.Med.Chem.Lett., 23, 2013
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4N0K
| Atomic resolution crystal structure of a cytochrome c-calixarene complex | Descriptor: | 25,26,27,28-tetrahydroxypentacyclo[19.3.1.1~3,7~.1~9,13~.1~15,19~]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodecaene-5,11,17,23-tetrasulfonic acid, Cytochrome c iso-1, HEME C | Authors: | McGovern, R.E, Pye, V.E, Crowley, P.B. | Deposit date: | 2013-10-02 | Release date: | 2014-09-10 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | A cytochrome c-calixarene structure at atomic resolution To be Published
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6DWN
| Structure of Human Cytochrome P450 1A1 with Erlotinib | Descriptor: | 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, Cytochrome P450 1A1, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Bart, A.G, Scott, E.E. | Deposit date: | 2018-06-26 | Release date: | 2018-10-03 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structures of human cytochrome P450 1A1 with bergamottin and erlotinib reveal active-site modifications for binding of diverse ligands. J. Biol. Chem., 293, 2018
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4N33
| Structure of langerin CRD complexed with GlcNAc-beta1-3Gal-beta1-4Glc-beta-CH2CH2N3 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-galactopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose, C-type lectin domain family 4 member K, ... | Authors: | Feinberg, H, Rowntree, T.J.W, Tan, S.L.W, Drickamer, K, Weis, W.I, Taylor, M.E. | Deposit date: | 2013-10-06 | Release date: | 2013-11-20 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Common polymorphisms in human langerin change specificity for glycan ligands. J.Biol.Chem., 288, 2013
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7DWH
| Complex structure of SAM-dependent methyltransferase ribozyme | Descriptor: | COPPER (II) ION, RNA (45-MER), S-ADENOSYLMETHIONINE, ... | Authors: | Jiang, H.Y, Gao, Y.Q, Chen, D.R, Murchie, A. | Deposit date: | 2021-01-17 | Release date: | 2021-10-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | The identification and characterization of a selected SAM-dependent methyltransferase ribozyme that is present in natural sequences Nat Catal, 4, 2021
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7E1T
| Crystal structure of Rab9A-GTP-Nde1 | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, Isoform 2 of Nuclear distribution protein nudE homolog 1, MAGNESIUM ION, ... | Authors: | Zhang, Y, Zhang, T, Ding, J. | Deposit date: | 2021-02-03 | Release date: | 2021-10-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Nde1 is a Rab9 effector for loading late endosomes to cytoplasmic dynein motor complex. Structure, 30, 2022
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4MTB
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6DCL
| Crystal structure of UP1 bound to pri-miRNA-18a terminal loop | Descriptor: | 1,2-ETHANEDIOL, Heterogeneous nuclear ribonucleoprotein A1, RNA (5'-R(*AP*GP*UP*AP*GP*AP*UP*UP*AP*GP*C)-3') | Authors: | Kooshapur, H, Sattler, M. | Deposit date: | 2018-05-07 | Release date: | 2018-06-27 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.497 Å) | Cite: | Structural basis for terminal loop recognition and stimulation of pri-miRNA-18a processing by hnRNP A1. Nat Commun, 9, 2018
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4MUC
| The 4th and 5th C-terminal domains of Factor H related protein 1 | Descriptor: | Complement factor H-related protein 1, SULFATE ION | Authors: | Bhattacharjee, A, Goldman, A, Kolodziejczyk, R, Jokiranta, T.S. | Deposit date: | 2013-09-21 | Release date: | 2015-02-18 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (2.897 Å) | Cite: | The Major Autoantibody Epitope on Factor H in Atypical Hemolytic Uremic Syndrome Is Structurally Different from Its Homologous Site in Factor H-related Protein 1, Supporting a Novel Model for Induction of Autoimmunity in This Disease. J.Biol.Chem., 290, 2015
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4N70
| Pim1 Complexed with a pyridylcarboxamide | Descriptor: | N-{4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]pyridin-3-yl}-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide, Serine/threonine-protein kinase pim-1 | Authors: | Bellamacina, C.R, Le, V, Shu, W, Burger, M.T, Bussiere, D. | Deposit date: | 2013-10-14 | Release date: | 2013-11-06 | Last modified: | 2014-07-02 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure Guided Optimization, in Vitro Activity, and in Vivo Activity of Pan-PIM Kinase Inhibitors. ACS Med Chem Lett, 4, 2013
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7E72
| Crystal structure of Tie2-agonistic antibody in complex with human Tie2 Fn2-3 | Descriptor: | 1,2-ETHANEDIOL, Angiopoietin-1 receptor, the chimeric Fab fragment of 3H7 (heavy chain), ... | Authors: | Kim, H.M, Jo, G.H, Hong, H.J, Han, A. | Deposit date: | 2021-02-25 | Release date: | 2021-11-10 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.094 Å) | Cite: | Structural insights into the clustering and activation of Tie2 receptor mediated by Tie2 agonistic antibody. Nat Commun, 12, 2021
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4MVK
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7DW5
| Crystal structure of DUX4 HD1-HD2 domain complexed with ERG sites | Descriptor: | BROMIDE ION, DNA (5'-D(P*CP*GP*AP*CP*TP*TP*GP*AP*TP*GP*AP*GP*AP*TP*TP*AP*GP*AP*CP*TP*G)-3'), Double homeobox protein 4-like protein 2 | Authors: | Zhang, H, Cheng, N, Li, Z, Zhang, W, Dong, X, Huang, J, Meng, G. | Deposit date: | 2021-01-15 | Release date: | 2021-11-03 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.83 Å) | Cite: | DNA crosslinking and recombination-activating genes 1/2 (RAG1/2) are required for oncogenic splicing in acute lymphoblastic leukemia. Cancer Commun (Lond), 41, 2021
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4MWV
| Anhui N9-peramivir | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(1-ACETYLAMINO-2-ETHYL-BUTYL)-4-GUANIDINO-2-HYDROXY-CYCLOPENTANECARBOXYLIC ACID, CALCIUM ION, ... | Authors: | Wu, Y, Qi, J.X, Gao, F, Gao, G.F. | Deposit date: | 2013-09-25 | Release date: | 2013-11-20 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Characterization of two distinct neuraminidases from avian-origin human-infecting H7N9 influenza viruses Cell Res., 23, 2013
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6DFM
| Crystal structure of human GRP78 in complex with 8-aminoadenosine | Descriptor: | (2R,3R,4S,5R)-2-(6,8-diaminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol, Endoplasmic reticulum chaperone BiP | Authors: | Ferrie, R.P, Chen, Y, Antoshchenko, T, Cooney, O.M, Huang, Y, Park, H.W. | Deposit date: | 2018-05-15 | Release date: | 2019-05-15 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Crystal structure of human GRP78 in complex with 8-aminoadenosine To be Published
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