7R69
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6ZAE
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![BU of 6zae by Molmil](/molmil-images/mine/6zae) | Room temperature XFEL Isopenicillin N synthase structure in complex with Fe and ACV under anaerobic conditions. | Descriptor: | FE (II) ION, Isopenicillin N synthase, L-D-(A-AMINOADIPOYL)-L-CYSTEINYL-D-VALINE, ... | Authors: | Rabe, P, Kamps, J.J.A.G, Sutherlin, K, Pharm, C, McDonough, M.A, Leissing, T.M, Aller, P, Butryn, A, Linyard, J, Lang, P, Brem, J, Fuller, F.D, Batyuk, A, Hunter, M.S, Pettinati, I, Clifton, I.J, Alonso-Mori, R, Gul, S, Young, I, Kim, I, Bhowmick, A, ORiordan, L, Brewster, A.S, Claridge, T.D.W, Sauter, N.K, Yachandra, V, Yano, J, Kern, J.F, Orville, A.M, Schofield, C.J. | Deposit date: | 2020-06-05 | Release date: | 2021-06-09 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | X-ray free-electron laser studies reveal correlated motion during isopenicillin N synthase catalysis. Sci Adv, 7, 2021
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6ZAO
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![BU of 6zao by Molmil](/molmil-images/mine/6zao) | Isopenicillin N synthase structure in complex with Fe and IPN exposed to dioxygen. | Descriptor: | FE (III) ION, ISOPENICILLIN N, Isopenicillin N synthase, ... | Authors: | Rabe, P, Kamps, J.J.A.G, Sutherlin, K, Pharm, C, McDonough, M.A, Leissing, T.M, Aller, P, Butryn, A, Linyard, J, Lang, P, Brem, J, Fuller, F.D, Batyuk, A, Hunter, M.S, Pettinati, I, Clifton, I.J, Alonso-Mori, R, Gul, S, Young, I, Kim, I, Bhowmick, A, ORiordan, L, Brewster, A.S, Claridge, T.D.W, Sauter, N.K, Yachandra, V, Yano, J, Kern, J.F, Orville, A.M, Schofield, C.J. | Deposit date: | 2020-06-05 | Release date: | 2021-06-09 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | X-ray free-electron laser studies reveal correlated motion during isopenicillin N synthase catalysis. Sci Adv, 7, 2021
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6ZAI
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![BU of 6zai by Molmil](/molmil-images/mine/6zai) | Room temperature XFEL Isopenicillin N synthase structure in complex with Fe, O2 and ACV after exposure to dioxygen for 1600ms. | Descriptor: | FE (II) ION, Isopenicillin N synthase, L-D-(A-AMINOADIPOYL)-L-CYSTEINYL-D-VALINE, ... | Authors: | Rabe, P, Kamps, J.J.A.G, Sutherlin, K, Pharm, C, McDonough, M.A, Leissing, T.M, Aller, P, Butryn, A, Linyard, J, Lang, P, Brem, J, Fuller, F.D, Batyuk, A, Hunter, M.S, Pettinati, I, Clifton, I.J, Alonso-Mori, R, Gul, S, Young, I, Kim, I, Bhowmick, A, ORiordan, L, Brewster, A.S, Claridge, T.D.W, Sauter, N.K, Yachandra, V, Yano, J, Kern, J.F, Orville, A.M, Schofield, C.J. | Deposit date: | 2020-06-05 | Release date: | 2021-06-09 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.5501 Å) | Cite: | X-ray free-electron laser studies reveal correlated motion during isopenicillin N synthase catalysis. Sci Adv, 7, 2021
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6ZAL
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![BU of 6zal by Molmil](/molmil-images/mine/6zal) | Room temperature XFEL Isopenicillin N synthase structure in complex with Fe and ACV after exposure to dioxygen for 500ms without glycerol. | Descriptor: | FE (II) ION, Isopenicillin N synthase, L-D-(A-AMINOADIPOYL)-L-CYSTEINYL-D-VALINE, ... | Authors: | Rabe, P, Kamps, J.J.A.G, Sutherlin, K, Pharm, C, McDonough, M.A, Leissing, T.M, Aller, P, Butryn, A, Linyard, J, Lang, P, Brem, J, Fuller, F.D, Batyuk, A, Hunter, M.S, Pettinati, I, Clifton, I.J, Alonso-Mori, R, Gul, S, Young, I, Kim, I, Bhowmick, A, ORiordan, L, Brewster, A.S, Claridge, T.D.W, Sauter, N.K, Yachandra, V, Yano, J, Kern, J.F, Orville, A.M, Schofield, C.J. | Deposit date: | 2020-06-05 | Release date: | 2021-06-09 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | X-ray free-electron laser studies reveal correlated motion during isopenicillin N synthase catalysis. Sci Adv, 7, 2021
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6ZAQ
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![BU of 6zaq by Molmil](/molmil-images/mine/6zaq) | Room temperature XFEL Isopenicillin N synthase structure in complex with Fe and IPN after dioxygen exposure | Descriptor: | FE (II) ION, ISOPENICILLIN N, Isopenicillin N synthase, ... | Authors: | Rabe, P, Kamps, J.J.A.G, Sutherlin, K, Pharm, C, McDonough, M.A, Leissing, T.M, Aller, P, Butryn, A, Linyard, J, Lang, P, Brem, J, Fuller, F.D, Batyuk, A, Hunter, M.S, Pettinati, I, Clifton, I.J, Alonso-Mori, R, Gul, S, Young, I, Kim, I, Bhowmick, A, ORiordan, L, Brewster, A.S, Claridge, T.D.W, Sauter, N.K, Yachandra, V, Yano, J, Kern, J.F, Orville, A.M, Schofield, C.J. | Deposit date: | 2020-06-05 | Release date: | 2021-06-09 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | X-ray free-electron laser studies reveal correlated motion during isopenicillin N synthase catalysis. Sci Adv, 7, 2021
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6ZAP
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![BU of 6zap by Molmil](/molmil-images/mine/6zap) | Isopenicillin N synthase in complex with Fe, O2 and ACV under cryo conditions. | Descriptor: | FE (III) ION, Isopenicillin N synthase, L-D-(A-AMINOADIPOYL)-L-CYSTEINYL-D-VALINE, ... | Authors: | Rabe, P, Kamps, J.J.A.G, Sutherlin, K, Pharm, C, McDonough, M.A, Leissing, T.M, Aller, P, Butryn, A, Linyard, J, Lang, P, Brem, J, Fuller, F.D, Batyuk, A, Hunter, M.S, Pettinati, I, Clifton, I.J, Alonso-Mori, R, Gul, S, Young, I, Kim, I, Bhowmick, A, ORiordan, L, Brewster, A.S, Claridge, T.D.W, Sauter, N.K, Yachandra, V, Yano, J, Kern, J.F, Orville, A.M, Schofield, C.J. | Deposit date: | 2020-06-05 | Release date: | 2021-06-09 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.36 Å) | Cite: | X-ray free-electron laser studies reveal correlated motion during isopenicillin N synthase catalysis. Sci Adv, 7, 2021
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6ZAF
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![BU of 6zaf by Molmil](/molmil-images/mine/6zaf) | Room temperature XFEL Isopenicillin N synthase structure in complex with Fe and ACV after exposure to dioxygen for 400ms. | Descriptor: | FE (II) ION, Isopenicillin N synthase, L-D-(A-AMINOADIPOYL)-L-CYSTEINYL-D-VALINE, ... | Authors: | Rabe, P, Kamps, J.J.A.G, Sutherlin, K, Pharm, C, McDonough, M.A, Leissing, T.M, Aller, P, Butryn, A, Linyard, J, Lang, P, Brem, J, Fuller, F.D, Batyuk, A, Hunter, M.S, Pettinati, I, Clifton, I.J, Alonso-Mori, R, Gul, S, Young, I, Kim, I, Bhowmick, A, ORiordan, L, Brewster, A.S, Claridge, T.D.W, Sauter, N.K, Yachandra, V, Yano, J, Kern, J.F, Orville, A.M, Schofield, C.J. | Deposit date: | 2020-06-05 | Release date: | 2021-06-09 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.4001 Å) | Cite: | X-ray free-electron laser studies reveal correlated motion during isopenicillin N synthase catalysis. Sci Adv, 7, 2021
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6ZAJ
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![BU of 6zaj by Molmil](/molmil-images/mine/6zaj) | Room temperature XFEL Isopenicillin N synthase structure in complex with Fe, O2 and ACV after exposure to dioxygen for 3000ms. | Descriptor: | FE (II) ION, Isopenicillin N synthase, L-D-(A-AMINOADIPOYL)-L-CYSTEINYL-D-VALINE, ... | Authors: | Rabe, P, Kamps, J.J.A.G, Sutherlin, K, Pharm, C, McDonough, M.A, Leissing, T.M, Aller, P, Butryn, A, Linyard, J, Lang, P, Brem, J, Fuller, F.D, Batyuk, A, Hunter, M.S, Pettinati, I, Clifton, I.J, Alonso-Mori, R, Gul, S, Young, I, Kim, I, Bhowmick, A, ORiordan, L, Brewster, A.S, Claridge, T.D.W, Sauter, N.K, Yachandra, V, Yano, J, Kern, J.F, Orville, A.M, Schofield, C.J. | Deposit date: | 2020-06-05 | Release date: | 2021-06-09 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.5301 Å) | Cite: | X-ray free-electron laser studies reveal correlated motion during isopenicillin N synthase catalysis. Sci Adv, 7, 2021
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6ZAM
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![BU of 6zam by Molmil](/molmil-images/mine/6zam) | Fluorine labeled IPNS S55C in complex with Fe and ACV under anaerobic conditions. | Descriptor: | 1,1,1-tris(fluoranyl)propan-2-one, 1,1,1-tris(fluoranyl)propane-2,2-diol, FE (III) ION, ... | Authors: | Rabe, P, Kamps, J.J.A.G, Sutherlin, K, Pharm, C, McDonough, M.A, Leissing, T.M, Aller, P, Butryn, A, Linyard, J, Lang, P, Brem, J, Fuller, F.D, Batyuk, A, Hunter, M.S, Pettinati, I, Clifton, I.J, Alonso-Mori, R, Gul, S, Young, I, Kim, I, Bhowmick, A, ORiordan, L, Brewster, A.S, Claridge, T.D.W, Sauter, N.K, Yachandra, V, Yano, J, Kern, J.F, Orville, A.M, Schofield, C.J. | Deposit date: | 2020-06-05 | Release date: | 2021-06-09 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | X-ray free-electron laser studies reveal correlated motion during isopenicillin N synthase catalysis. Sci Adv, 7, 2021
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6U25
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![BU of 6u25 by Molmil](/molmil-images/mine/6u25) | CRYSTAL STRUCTURE OF RAR-RELATED ORPHAN RECEPTOR C (NHIS- RORGT(244-487)-L6-SRC1(678-692)) IN COMPLEX WITH A TRICYCLIC INVERSE AGONIST | Descriptor: | GLYCEROL, NUCLEAR RECEPTOR COACTIVATOR 1 CHIMERA, trans-4-[(3aR,9bR)-9b-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,2,3a,4,5,9b-hexahydro-3H-benzo[e]indole-3-carbonyl]cyclohexane-1-carboxylic acid | Authors: | Sack, J. | Deposit date: | 2019-08-19 | Release date: | 2019-11-06 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.61 Å) | Cite: | Rationally Designed, Conformationally Constrained Inverse Agonists of ROR gamma t-Identification of a Potent, Selective Series with Biologic-Like in Vivo Efficacy. J.Med.Chem., 62, 2019
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7R0J
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![BU of 7r0j by Molmil](/molmil-images/mine/7r0j) | Structure of the V2 receptor Cter-arrestin2-ScFv30 complex | Descriptor: | Arrestin2, ScFv30, V2R Cter | Authors: | Bous, J, Fouillen, A, Trapani, S, Granier, S, Mouillac, B, Bron, P. | Deposit date: | 2022-02-02 | Release date: | 2022-09-14 | Method: | ELECTRON MICROSCOPY (4.23 Å) | Cite: | Structure of the vasopressin hormone-V2 receptor-beta-arrestin1 ternary complex. Sci Adv, 8, 2022
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7R0C
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![BU of 7r0c by Molmil](/molmil-images/mine/7r0c) | Structure of the AVP-V2R-arrestin2-ScFv30 complex | Descriptor: | AVP, Arrestin2, ScFv30, ... | Authors: | Bous, J, Fouillen, A, Trapani, S, Granier, S, Mouillac, B, Bron, P. | Deposit date: | 2022-02-01 | Release date: | 2022-09-14 | Method: | ELECTRON MICROSCOPY (4.73 Å) | Cite: | Structure of the vasopressin hormone-V2 receptor-beta-arrestin1 ternary complex. Sci Adv, 8, 2022
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8TFN
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![BU of 8tfn by Molmil](/molmil-images/mine/8tfn) | Structure of anti-TCRvbeta6-5 antibody in complex with the cognate TCR | Descriptor: | Anti-TCRVb6-5 Fab heavy chain, Anti-TCRVb6-5 Fab light chain, TRAV12-3, ... | Authors: | Katragadda, M, Servatalab, R, Wirth, J. | Deposit date: | 2023-07-11 | Release date: | 2023-11-08 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.54 Å) | Cite: | Innate TCR beta-chain engagement drives human T cells toward distinct memory-like effector phenotypes with immunotherapeutic potentials. Sci Adv, 9, 2023
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4WXB
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![BU of 4wxb by Molmil](/molmil-images/mine/4wxb) | Crystal Structure of Serine Hydroxymethyltransferase from Streptococcus thermophilus | Descriptor: | CACODYLATE ION, CITRIC ACID, GLYCEROL, ... | Authors: | Hernandez, K, Zelen, I, Petrillo, G, Uson, I, Wandtke, C, Bujons, J, Joglar, J, Parella, T, Clapes, P. | Deposit date: | 2014-11-13 | Release date: | 2015-02-04 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Engineered L-Serine Hydroxymethyltransferase from Streptococcus thermophilus for the Synthesis of alpha , alpha-Dialkyl-alpha-Amino Acids. Angew.Chem.Int.Ed.Engl., 54, 2015
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5HI8
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![BU of 5hi8 by Molmil](/molmil-images/mine/5hi8) | Structure of T-type Phycobiliprotein Lyase CpeT from Prochlorococcus phage P-HM1 | Descriptor: | ACETATE ION, Antenna protein, MAGNESIUM ION | Authors: | Gasper, R, Schwach, J, Frankenberg-Dinkel, N, Hofmann, E. | Deposit date: | 2016-01-11 | Release date: | 2017-01-18 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Distinct Features of Cyanophage-encoded T-type Phycobiliprotein Lyase Phi CpeT: THE ROLE OF AUXILIARY METABOLIC GENES. J. Biol. Chem., 292, 2017
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4ZAR
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![BU of 4zar by Molmil](/molmil-images/mine/4zar) | Crystal Structure of Proteinase K from Engyodontium albuminhibited by METHOXYSUCCINYL-ALA-ALA-PRO-PHE-CHLOROMETHYL KETONE at 1.15 A resolution | Descriptor: | CALCIUM ION, METHOXYSUCCINYL-ALA-ALA-PRO-PHE-CHLOROMETHYL KETONE, bound form, ... | Authors: | Sawaya, M.R, Cascio, D, Collazo, M, Bond, C, Cohen, A, DeNicola, A, Eden, K, Jain, K, Leung, C, Lubock, N, McCormick, J, Rosinski, J, Spiegelman, L, Athar, Y, Tibrewal, N, Winter, J, Solomon, S. | Deposit date: | 2015-04-14 | Release date: | 2015-05-06 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Crystal Structure of Proteinase K from Engyodontium album inhibited by METHOXYSUCCINYL-ALA-ALA-PRO-PHE-CHLOROMETHYL KETONE at 1.15 A resolution to be published
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7ZEG
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![BU of 7zeg by Molmil](/molmil-images/mine/7zeg) | Human cytosolic 5' nucleotidase IIIB in complex with 3,4-diF-Bn7GMP | Descriptor: | 1,2-ETHANEDIOL, 7-methylguanosine phosphate-specific 5'-nucleotidase, MAGNESIUM ION, ... | Authors: | Kubacka, D, Kozarski, M, Baranowski, M.R, Wojcik, R, Jemielity, J, Kowalska, J, Basquin, J. | Deposit date: | 2022-03-31 | Release date: | 2022-04-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Substrate-Based Design of Cytosolic Nucleotidase IIIB Inhibitors and Structural Insights into Inhibition Mechanism. Pharmaceuticals, 15, 2022
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7ZEE
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![BU of 7zee by Molmil](/molmil-images/mine/7zee) | Human cytosolic 5' nucleotidase IIIB | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 7-methylguanosine phosphate-specific 5'-nucleotidase, ... | Authors: | Kubacka, D, Kozarski, M, Baranowski, M.R, Wojcik, R, Jemielity, J, Kowalska, J, Basquin, J. | Deposit date: | 2022-03-31 | Release date: | 2022-04-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.36 Å) | Cite: | Substrate-Based Design of Cytosolic Nucleotidase IIIB Inhibitors and Structural Insights into Inhibition Mechanism. Pharmaceuticals, 15, 2022
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4ZJS
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![BU of 4zjs by Molmil](/molmil-images/mine/4zjs) | Crystal structure of a chimeric acetylcholine binding protein from Aplysia Californica (Ac-AChBP) containing the main immunogenic region (MIR) from the human alpha 1 subunit of the muscle nicotinic acetylcholine receptor in complex with anatoxin-A. | Descriptor: | 1-[(1R,6R)-9-azabicyclo[4.2.1]non-2-en-2-yl]ethanone, Acetylcholine receptor subunit alpha,Soluble acetylcholine receptor,Acetylcholine receptor subunit alpha,Soluble acetylcholine receptor | Authors: | Talley, T.T, Bobango, J, Wu, J, Park, J.F, Luo, J, Lindsatrom, J, Taylor, P. | Deposit date: | 2015-04-29 | Release date: | 2015-05-13 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.2301 Å) | Cite: | Main immunogenic region structure promotes binding of conformation-dependent myasthenia gravis autoantibodies, nicotinic acetylcholine receptor conformation maturation, and agonist sensitivity. J. Neurosci., 29, 2009
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7ZEH
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![BU of 7zeh by Molmil](/molmil-images/mine/7zeh) | Human cytosolic 5' nucleotidase IIIB in complex with 3,4-diF-Bn7Guanine | Descriptor: | 1,2-ETHANEDIOL, 7-methylguanosine phosphate-specific 5'-nucleotidase, D-ribulose, ... | Authors: | Kubacka, D, Kozarski, M, Baranowski, M.R, Wojcik, R, Jemielity, J, Kowalska, J, Basquin, J. | Deposit date: | 2022-03-31 | Release date: | 2022-05-25 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Substrate-Based Design of Cytosolic Nucleotidase IIIB Inhibitors and Structural Insights into Inhibition Mechanism. Pharmaceuticals, 15, 2022
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6WIG
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![BU of 6wig by Molmil](/molmil-images/mine/6wig) | Structure of STENOFOLIA Protein HD domain bound with DNA | Descriptor: | DNA (5'-D(P*CP*TP*TP*GP*AP*AP*TP*AP*AP*AP*TP*CP*AP*TP*TP*AP*AP*TP*TP*TP*GP*C)-3'), DNA (5'-D(P*GP*CP*AP*AP*AP*TP*TP*AP*AP*TP*GP*AP*TP*TP*TP*AP*TP*TP*CP*AP*AP*G)-3'), STENOFOLIA | Authors: | Deng, J, Peng, S, Pathak, P. | Deposit date: | 2020-04-09 | Release date: | 2021-08-11 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure of the unique tetrameric STENOFOLIA homeodomain bound with target promoter DNA. Acta Crystallogr D Struct Biol, 77, 2021
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4X66
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![BU of 4x66 by Molmil](/molmil-images/mine/4x66) | Crystal Structure of 30S ribosomal subunit from Thermus thermophilus | Descriptor: | 16S rRNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ... | Authors: | Demirci, H, Chen, J, Choi, J, Soltis, M, Puglisi, J.D. | Deposit date: | 2014-12-06 | Release date: | 2015-11-18 | Last modified: | 2019-12-25 | Method: | X-RAY DIFFRACTION (3.446 Å) | Cite: | N(6)-methyladenosine in mRNA disrupts tRNA selection and translation-elongation dynamics. Nat.Struct.Mol.Biol., 23, 2016
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4X80
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![BU of 4x80 by Molmil](/molmil-images/mine/4x80) | Crystal Structure of murine 7B4 Fab monoclonal antibody against ADAMTS5 | Descriptor: | IgG1 7B4 FAB Heavy chain, IgG1 7B4 FAB Light Chain | Authors: | Larkin, J, Lohr, T.A, Elefante, L, Shearin, J, Matico, R, Su, J.-L, Xue, Y, Liu, F, Genell, C, Miller, R.E, Tran, P.B, Malfait, A.-M, Maier, C.C, Matheny, C.J. | Deposit date: | 2014-12-09 | Release date: | 2015-04-08 | Last modified: | 2015-08-05 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Translational development of an ADAMTS-5 antibody for osteoarthritis disease modification. Osteoarthr. Cartil., 23, 2015
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6RLE
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![BU of 6rle by Molmil](/molmil-images/mine/6rle) | Crystal structure of human monoamine oxidase B in complex with styrylpiperidine analogue 97 | Descriptor: | 4-[2-(4-propan-2-ylphenyl)ethyl]-1-[(~{E})-prop-1-enyl]piperidine, Amine oxidase [flavin-containing] B, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Iacovino, L.G, Knez, D, Colettis, N, Sova, M, Pislar, A, Higgs, J, Kamecki, F, Mangialavori, I, Dolsak, A, Zakelj, S, Trontelj, J, Kos, J, Marder, N.M, Gobec, S, Binda, C. | Deposit date: | 2019-05-02 | Release date: | 2020-01-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Stereoselective Activity of 1-Propargyl-4-styrylpiperidine-like Analogues That Can Discriminate between Monoamine Oxidase Isoforms A and B. J.Med.Chem., 63, 2020
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