7O18
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![BU of 7o18 by Molmil](/molmil-images/mine/7o18) | N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH I-BET282 | Descriptor: | (R)-4-(8-methoxy-1-(1-methoxypropan-2-yl)-2-(tetrahydro-2H-pyran-4-yl)-1H-imidazo[4,5-c]quinolin-7-yl)-3,5-dimethylisoxazole, 1,2-ETHANEDIOL, Bromodomain-containing protein 4 | Authors: | Chung, C. | Deposit date: | 2021-03-28 | Release date: | 2021-10-13 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Discovery of a Novel Bromodomain and Extra Terminal Domain (BET) Protein Inhibitor, I-BET282E, Suitable for Clinical Progression. J.Med.Chem., 64, 2021
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6BVB
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![BU of 6bvb by Molmil](/molmil-images/mine/6bvb) | Crystal structure of HIF-2alpha-pVHL-elongin B-elongin C | Descriptor: | Elongin-B, Elongin-C, Hypoxia-Inducible Factor 2 alpha, ... | Authors: | Tarade, D, Ohh, M, Lee, J.E. | Deposit date: | 2017-12-12 | Release date: | 2018-08-01 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.002 Å) | Cite: | HIF-2 alpha-pVHL complex reveals broad genotype-phenotype correlations in HIF-2 alpha-driven disease. Nat Commun, 9, 2018
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3ZUN
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![BU of 3zun by Molmil](/molmil-images/mine/3zun) | pVHL54-213-EloB-EloC complex_(2S,4R)-4-hydroxy-1-(2-(3-methylisoxazol- 5-yl)acetyl)-N-(4-nitrobenzyl)pyrrolidine-2-carboxamide bound | Descriptor: | (4R)-N-[4-(DIHYDROXYAMINO)BENZYL]-4-HYDROXY-1-[(3-METHYLISOXAZOL-5-YL)ACETYL]-L-PROLINAMIDE, GLYCEROL, TRANSCRIPTION ELONGATION FACTOR B POLYPEPTIDE 1, ... | Authors: | Van Molle, I, Buckley, D, Crews, C.M, Ciulli, A. | Deposit date: | 2011-07-19 | Release date: | 2012-07-25 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Elongin-B, Elongin-C, Von Hippel-Lindau Disease Tumor Suppressor Complex To be Published
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6J8M
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![BU of 6j8m by Molmil](/molmil-images/mine/6j8m) | Low-dose structure of bovine heart cytochrome c oxidase in the fully oxidized state determined using 30 keV X-ray | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ... | Authors: | Ueno, G, Shimada, A, Yamashita, E, Hasegawa, K, Kumasaka, T, Shinzawa-Itoh, K, Yoshikawa, S, Tsukihara, T, Yamamoto, M. | Deposit date: | 2019-01-20 | Release date: | 2019-06-26 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Low-dose X-ray structure analysis of cytochrome c oxidase utilizing high-energy X-rays. J.Synchrotron Radiat., 26, 2019
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8AV0
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![BU of 8av0 by Molmil](/molmil-images/mine/8av0) | small molecule stabilizer (compound 1) for C-RAF pS259 and 14-3-3 | Descriptor: | 1-[2-(4-chloranylphenoxy)-2-methyl-propanoyl]-~{N}-[2-[2-(dimethylamino)ethyldisulfanyl]ethyl]piperidine-4-carboxamide, 14-3-3 protein sigma, CHLORIDE ION, ... | Authors: | Visser, E.J, Sijbesma, E, Ottmann, C. | Deposit date: | 2022-08-26 | Release date: | 2023-04-26 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | A Systematic Approach to the Discovery of Protein-Protein Interaction Stabilizers. Acs Cent.Sci., 9, 2023
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6PET
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![BU of 6pet by Molmil](/molmil-images/mine/6pet) | Crystal structure of 8-hydroxychromene compound 30 bound to estrogen receptor alpha | Descriptor: | (2S)-2-(4-{2-[3-(fluoromethyl)azetidin-1-yl]ethoxy}phenyl)-3-(3-hydroxyphenyl)-4-methyl-2H-1-benzopyran-8-ol, (2S)-3-(3-hydroxyphenyl)-2-(4-iodophenyl)-4-methyl-2H-1-benzopyran-6-ol, CHLORIDE ION, ... | Authors: | Kiefer, J.R, Vinogradova, M, Liang, J, Wang, X, Zbieg, J, Labadie, S.S, Zhang, B, Li, J, Liang, W. | Deposit date: | 2019-06-20 | Release date: | 2019-07-17 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.203 Å) | Cite: | Discovery of a C-8 hydroxychromene as a potent degrader of estrogen receptor alpha with improved rat oral exposure over GDC-0927. Bioorg.Med.Chem.Lett., 29, 2019
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3X39
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![BU of 3x39 by Molmil](/molmil-images/mine/3x39) | Domain-swapped dimer of Pseudomonas aeruginosa cytochrome c551 | Descriptor: | Cytochrome c-551, HEME C | Authors: | Nagao, S, Ueda, M, Osuka, H, Komori, H, Kamikubo, H, Kataoka, M, Higuchi, Y, Hirota, S. | Deposit date: | 2015-01-16 | Release date: | 2015-04-22 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Domain-Swapped Dimer of Pseudomonas aeruginosa Cytochrome c551: Structural Insights into Domain Swapping of Cytochrome c Family Proteins Plos One, 10, 2015
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3ZKP
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![BU of 3zkp by Molmil](/molmil-images/mine/3zkp) | |
6PR5
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![BU of 6pr5 by Molmil](/molmil-images/mine/6pr5) | Cryo-EM structure of HzTransib strand transfer complex (STC) | Descriptor: | DNA (30-MER), DNA (39-MER), DNA (5'-D(*GP*AP*TP*CP*TP*GP*GP*CP*CP*TP*AP*GP*AP*TP*CP*TP*CP*A)-3'), ... | Authors: | Liu, C, Yang, Y, Schatz, D.G. | Deposit date: | 2019-07-10 | Release date: | 2019-10-09 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Structures of a RAG-like transposase during cut-and-paste transposition. Nature, 575, 2019
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4M5T
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![BU of 4m5t by Molmil](/molmil-images/mine/4m5t) | Disulfide trapped human alphaB crystallin core domain in complex with C-terminal peptide | Descriptor: | Alpha-crystallin B chain, SULFATE ION | Authors: | Laganowsky, A, Cascio, D, Hochberg, G, Sawaya, M.R, Benesch, J.L.P, Robinson, C.V, Eisenberg, D. | Deposit date: | 2013-08-08 | Release date: | 2014-04-09 | Last modified: | 2019-07-17 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The structured core domain of alpha B-crystallin can prevent amyloid fibrillation and associated toxicity. Proc.Natl.Acad.Sci.USA, 111, 2014
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1JWL
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![BU of 1jwl by Molmil](/molmil-images/mine/1jwl) | Structure of the Dimeric lac Repressor/Operator O1/ONPF Complex | Descriptor: | 2-nitrophenyl beta-D-fucopyranoside, 5'-D(*AP*GP*AP*AP*T*TP*GP*TP*GP*AP*GP*CP*GP*GP*AP*TP*AP*AP*CP*AP*AP*TP*T)-3', 5'-D(*TP*AP*AP*TP*TP*GP*TP*TP*AP*TP*CP*CP*GP*CP*TP*CP*AP*CP*AP*AP*TP*TP*C)-3', ... | Authors: | Bell, C.E, Lewis, M. | Deposit date: | 2001-09-04 | Release date: | 2001-10-05 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (4 Å) | Cite: | Crystallographic analysis of Lac repressor bound to natural operator O1. J.Mol.Biol., 312, 2001
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5F89
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![BU of 5f89 by Molmil](/molmil-images/mine/5f89) | |
2W2X
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![BU of 2w2x by Molmil](/molmil-images/mine/2w2x) | Complex of Rac2 and PLCg2 spPH Domain | Descriptor: | 1-PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE PHOSPHODIESTERASE GAMMA-2, 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, MAGNESIUM ION, ... | Authors: | Opaleye, O, Bunney, T.D, Roe, S.M, Pearl, L.H. | Deposit date: | 2008-11-04 | Release date: | 2009-05-05 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural Insights Into Formation of an Active Signaling Complex between Rac and Phospholipase C Gamma 2. Mol.Cell, 34, 2009
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6CBY
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![BU of 6cby by Molmil](/molmil-images/mine/6cby) | Crystal structure of human SET and MYND Domain Containing protein 2 with MTF9975 | Descriptor: | N-lysine methyltransferase SMYD2, ZINC ION, [3-(4-amino-6-methyl-1H-imidazo[4,5-c]pyridin-1-yl)-3-methylazetidin-1-yl][1-({1-[(1R)-cyclohept-2-en-1-yl]piperidin-4-yl}methyl)-1H-pyrrol-3-yl]methanone | Authors: | ZENG, H, DONG, A, Hutchinson, A, Seitova, A, TATLOCK, J, KUMPF, R, OWEN, A, TAYLOR, A, Casimiro-Garcia, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, BROWN, P.J, WU, H, Structural Genomics Consortium (SGC) | Deposit date: | 2018-02-05 | Release date: | 2018-03-14 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Selective, Small-Molecule Co-Factor Binding Site Inhibition of a Su(var)3-9, Enhancer of Zeste, Trithorax Domain Containing Lysine Methyltransferase. J.Med.Chem., 62, 2019
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2IZM
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![BU of 2izm by Molmil](/molmil-images/mine/2izm) | MS2-RNA HAIRPIN (C-10) COMPLEX | Descriptor: | 5'-R(*AP*CP*AP*UP*GP*CP*GP*GP*AP*UP *CP*AP*CP*CP*CP*AP*UP*GP*U)-3', Capsid protein | Authors: | Helgstrand, C, Grahn, E, Moss, T, Stonehouse, N.J, Tars, K, Stockley, P.G, Liljas, L. | Deposit date: | 2006-07-25 | Release date: | 2007-07-03 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Investigating the Structural Basis of Purine Specificity in the Structures of MS2 Coat Protein RNA Translational Operator Complexes Nucleic Acids Res., 30, 2002
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7OJR
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![BU of 7ojr by Molmil](/molmil-images/mine/7ojr) | |
6YI5
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![BU of 6yi5 by Molmil](/molmil-images/mine/6yi5) | In-situ structure of the trimeric HEF from influenza C by flexible fitting into a cryo-ET map. | Descriptor: | Hemagglutinin-esterase-fusion glycoprotein, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Halldorsson, S, Rosenthal, P.B. | Deposit date: | 2020-03-31 | Release date: | 2021-03-24 | Last modified: | 2021-03-31 | Method: | ELECTRON MICROSCOPY (9.1 Å) | Cite: | In situ structure and organization of the influenza C virus surface glycoprotein. Nat Commun, 12, 2021
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8B1P
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![BU of 8b1p by Molmil](/molmil-images/mine/8b1p) | Crystal structure of SUDV VP40 CCS mutant | Descriptor: | Matrix protein VP40 | Authors: | Werner, A.-D, Becker, S. | Deposit date: | 2022-09-11 | Release date: | 2023-06-21 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The C-terminus of Sudan ebolavirus VP40 contains a functionally important CX n C motif, a target for redox modifications. Structure, 31, 2023
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8B1O
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![BU of 8b1o by Molmil](/molmil-images/mine/8b1o) | Crystal structure of SUDV VP40 C314S mutant | Descriptor: | Matrix protein VP40 | Authors: | Werner, A.-D, Becker, S. | Deposit date: | 2022-09-11 | Release date: | 2023-06-21 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | The C-terminus of Sudan ebolavirus VP40 contains a functionally important CX n C motif, a target for redox modifications. Structure, 31, 2023
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7THU
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![BU of 7thu by Molmil](/molmil-images/mine/7thu) | Structure of reduced bovine cytochrome c oxidase at 1.93 Angstrom resolution obtained by synchrotron X-rays | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ... | Authors: | Ishigami, I, Rousseau, D.L, Yeh, S.-R. | Deposit date: | 2022-01-12 | Release date: | 2022-03-30 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Temperature-dependent structural transition following X-ray-induced metal center reduction in oxidized cytochrome c oxidase. J.Biol.Chem., 298, 2022
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7TIH
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![BU of 7tih by Molmil](/molmil-images/mine/7tih) | Structure of oxidized bovine cytochrome c oxidase with reduced metal centers induced by synchrotron X-ray exposure | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ... | Authors: | Ishigami, I, Rousseau, D.L, Yeh, S.-R, Russi, S, Cohen, A. | Deposit date: | 2022-01-13 | Release date: | 2022-03-30 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Temperature-dependent structural transition following X-ray-induced metal center reduction in oxidized cytochrome c oxidase. J.Biol.Chem., 298, 2022
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7TIE
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![BU of 7tie by Molmil](/molmil-images/mine/7tie) | Structure of oxidized bovine cytochrome c oxidase at 1.90 Angstrom resolution obtained by synchrotron X-rays | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ... | Authors: | Ishigami, I, Rousseau, D.L, Yeh, S.-R. | Deposit date: | 2022-01-13 | Release date: | 2022-03-30 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Temperature-dependent structural transition following X-ray-induced metal center reduction in oxidized cytochrome c oxidase. J.Biol.Chem., 298, 2022
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7TII
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![BU of 7tii by Molmil](/molmil-images/mine/7tii) | Annealed structure of oxidized bovine cytochrome c oxidase with reduced metal centers induced by synchrotron X-ray exposure | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ... | Authors: | Ishigami, I, Rousseau, D.L, Yeh, S.-R, Russi, S, Cohen, A. | Deposit date: | 2022-01-13 | Release date: | 2022-03-30 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Temperature-dependent structural transition following X-ray-induced metal center reduction in oxidized cytochrome c oxidase. J.Biol.Chem., 298, 2022
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2J6E
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![BU of 2j6e by Molmil](/molmil-images/mine/2j6e) | Crystal Structure of an Autoimmune Complex between a Human IgM Rheumatoid Factor and IgG1 Fc reveals a Novel Fc Epitope and Evidence for Affinity Maturation | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, CACODYLATE ION, ... | Authors: | Duquerroy, S, Stura, E.A, Bressanelli, S, Browne, H, Beale, D, Hamon, M, Casali, P, Vaney, M.C, Rey, F.A, Sutton, B.J, Taussig, M.J. | Deposit date: | 2006-09-28 | Release date: | 2007-04-10 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Crystal structure of a human autoimmune complex between IgM rheumatoid factor RF61 and IgG1 Fc reveals a novel epitope and evidence for affinity maturation. J.Mol.Biol., 368, 2007
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5MP6
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![BU of 5mp6 by Molmil](/molmil-images/mine/5mp6) | Structure of the Unliganded Fab from HIV-1 Neutralizing Antibody CAP248-2B that Binds to the gp120 C-terminus - gp41 Interface, at two Angstrom resolution. | Descriptor: | CAP248-2B Heavy Chain, CAP248-2B Light Chain, SULFATE ION | Authors: | Wibmer, C.K, Gorman, J, Kwong, P.D. | Deposit date: | 2016-12-15 | Release date: | 2016-12-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.959 Å) | Cite: | Structure and Recognition of a Novel HIV-1 gp120-gp41 Interface Antibody that Caused MPER Exposure through Viral Escape. PLoS Pathog., 13, 2017
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