7XJF
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![BU of 7xjf by Molmil](/molmil-images/mine/7xjf) | Crystal structure of 6MW3211 Fab in complex with CD47 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | Authors: | Wang, J, Wang, R, Jiao, S, Wang, S, Zhang, J, Zhang, M, Wang, M. | Deposit date: | 2022-04-16 | Release date: | 2023-05-31 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Blockade of dual immune checkpoint inhibitory signals with a CD47/PD-L1 bispecific antibody for cancer treatment. Theranostics, 13, 2023
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4QXA
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![BU of 4qxa by Molmil](/molmil-images/mine/4qxa) | Crystal structure of the Rab9A-RUTBC2 RBD complex | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Ras-related protein Rab-9A, ... | Authors: | Zhang, Z, Wang, S, Ding, J. | Deposit date: | 2014-07-19 | Release date: | 2014-09-10 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of the Rab9A-RUTBC2 RBD complex reveals the molecular basis for the binding specificity of Rab9A with RUTBC2. Structure, 22, 2014
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5EHJ
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![BU of 5ehj by Molmil](/molmil-images/mine/5ehj) | Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with the Cyclofenil Derivative 4,4'-[(4aR,8aR)-octahydronaphthalen-2(1H)-ylidenemethanediyl]diphenol | Descriptor: | 4,4'-[(4aR,8aR)-octahydronaphthalen-2(1H)-ylidenemethanediyl]diphenol, Estrogen receptor, NCOA2 | Authors: | Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W. | Deposit date: | 2015-10-28 | Release date: | 2016-05-04 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Predictive features of ligand-specific signaling through the estrogen receptor. Mol.Syst.Biol., 12, 2016
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5EIT
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![BU of 5eit by Molmil](/molmil-images/mine/5eit) | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the imidazopyridine derivative 2-(4-hydroxyphenyl)-3-(trifluoromethyl)imidazo[1,2-a]pyridin-6-ol | Descriptor: | 2-(4-hydroxyphenyl)-3-(trifluoromethyl)imidazo[1,2-a]pyridin-6-ol, Estrogen receptor, NCOA2 | Authors: | Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W. | Deposit date: | 2015-10-30 | Release date: | 2016-05-04 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.68 Å) | Cite: | Predictive features of ligand-specific signaling through the estrogen receptor. Mol.Syst.Biol., 12, 2016
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5EGV
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![BU of 5egv by Molmil](/molmil-images/mine/5egv) | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex the 3,4-diaryl-furan derivative 3-chloranyl-4-[4-(2-chloranyl-4-oxidanyl-phenyl)furan-3-yl]phenol | Descriptor: | 3-chloranyl-4-[4-(2-chloranyl-4-oxidanyl-phenyl)furan-3-yl]phenol, Estrogen receptor, NCOA2 | Authors: | Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W. | Deposit date: | 2015-10-27 | Release date: | 2016-05-04 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.863 Å) | Cite: | Predictive features of ligand-specific signaling through the estrogen receptor. Mol.Syst.Biol., 12, 2016
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5EI1
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![BU of 5ei1 by Molmil](/molmil-images/mine/5ei1) | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the imidazopyridine derivative 2-(4-hydroxyphenyl)-3-iodanyl-imidazo[1,2-a]pyridin-6-ol | Descriptor: | 2-(4-hydroxyphenyl)-3-iodanyl-imidazo[1,2-a]pyridin-6-ol, Estrogen receptor, NCOA2 | Authors: | Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W. | Deposit date: | 2015-10-29 | Release date: | 2016-05-04 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Predictive features of ligand-specific signaling through the estrogen receptor. Mol.Syst.Biol., 12, 2016
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5E0W
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![BU of 5e0w by Molmil](/molmil-images/mine/5e0w) | Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with the Cyclofenil Derivative 4,4'-{[(3S)-3-(4-hydroxyphenyl)cyclohexylidene]methanediyl}diphenol | Descriptor: | 4,4'-{[(3S)-3-(4-hydroxyphenyl)cyclohexylidene]methanediyl}diphenol, Estrogen receptor, Nuclear receptor coactivator 2 | Authors: | Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W. | Deposit date: | 2015-09-29 | Release date: | 2016-05-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Predictive features of ligand-specific signaling through the estrogen receptor. Mol.Syst.Biol., 12, 2016
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2X1N
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![BU of 2x1n by Molmil](/molmil-images/mine/2x1n) | Truncation and Optimisation of Peptide Inhibitors of CDK2, Cyclin A Through Structure Guided Design | Descriptor: | 2-METHYL-N-[(1Z)-3-NITROCYCLOHEXA-2,4-DIEN-1-YLIDENE]-4,5-DIHYDRO[1,3]THIAZOLO[4,5-H]QUINAZOLIN-8-AMINE, ACE-LEU-ASN-PFF-NH2, CELL DIVISION PROTEIN KINASE 2, ... | Authors: | Kontopidis, G, Andrews, M.J, McInnes, C, Plater, A, Innes, L, Renachowski, S, Cowan, A, Fischer, P.M, McIntyre, N.A, Griffiths, G, Barnett, A.L, Slawin, A.M.Z, Jackson, W, Thomas, M, Zheleva, D.I, Wang, S, Blake, D.G, Westwood, N.J. | Deposit date: | 2009-12-31 | Release date: | 2010-02-16 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Design, Synthesis, and Evaluation of 2-Methyl- and 2-Amino-N-Aryl-4,5-Dihydrothiazolo[4,5-H]Quinazolin-8-Amines as Ring-Constrained 2-Anilino-4-(Thiazol-5-Yl)Pyrimidine Cyclin-Dependent Kinase Inhibitors. J.Med.Chem., 53, 2010
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5DXR
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![BU of 5dxr by Molmil](/molmil-images/mine/5dxr) | Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with the Cyclofenil Derivative 4,4'-{[(3R)-3-methylcyclohexylidene]methanediyl}diphenol | Descriptor: | 4,4'-{[(3R)-3-methylcyclohexylidene]methanediyl}diphenol, Estrogen receptor, Nuclear receptor coactivator 2 | Authors: | Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W. | Deposit date: | 2015-09-23 | Release date: | 2016-05-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Predictive features of ligand-specific signaling through the estrogen receptor. Mol.Syst.Biol., 12, 2016
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4KC4
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![BU of 4kc4 by Molmil](/molmil-images/mine/4kc4) | Structure of the blood group glycosyltransferase AAglyB in complex with a pyridine inhibitor as a neutral pyrophosphate surrogate | Descriptor: | 5'-deoxy-5'-[({6-[(alpha-D-galactopyranosyloxy)methyl]pyridin-2-yl}carbonyl)amino]uridine, Fucosylglycoprotein alpha-N-acetylgalactosaminyltransferase, MANGANESE (II) ION, ... | Authors: | Cuesta-Seijo, J.A, Wang, S, Lafont, D, Vidal, S, Palcic, M.M. | Deposit date: | 2013-04-24 | Release date: | 2013-09-11 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Design of glycosyltransferase inhibitors: pyridine as a pyrophosphate surrogate. Chemistry, 19, 2013
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4KC1
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![BU of 4kc1 by Molmil](/molmil-images/mine/4kc1) | Structure of the blood group glycosyltransferase AAglyB in complex with a pyridine inhibitor as a neutral pyrophosphate surrogate | Descriptor: | 6-(1-beta-D-Glucopyranosyloxymethyl)-N-(5'-deoxyluridine-5'-yl)picolinamide, Fucosylglycoprotein alpha-N-acetylgalactosaminyltransferase, MANGANESE (II) ION, ... | Authors: | Cuesta-Seijo, J.A, Wang, S, Lafont, D, Vidal, S, Palcic, M.M. | Deposit date: | 2013-04-24 | Release date: | 2013-09-11 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Design of glycosyltransferase inhibitors: pyridine as a pyrophosphate surrogate. Chemistry, 19, 2013
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4KC2
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![BU of 4kc2 by Molmil](/molmil-images/mine/4kc2) | Structure of the blood group glycosyltransferase AAglyB in complex with a pyridine inhibitor as a neutral pyrophosphate surrogate | Descriptor: | 6-(1-beta-D-Galactopyranosyloxymethyl)-N-(5'-deoxyluridine-5'-yl)picolinamide, Fucosylglycoprotein alpha-N-acetylgalactosaminyltransferase soluble form, MANGANESE (II) ION, ... | Authors: | Cuesta-Seijo, J.A, Wang, S, Lafont, D, Vidal, S, Palcic, M.M. | Deposit date: | 2013-04-24 | Release date: | 2013-09-11 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Design of glycosyltransferase inhibitors: pyridine as a pyrophosphate surrogate. Chemistry, 19, 2013
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3QYC
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![BU of 3qyc by Molmil](/molmil-images/mine/3qyc) | Structure of a dimeric anti-HER2 single domain antibody | Descriptor: | VH domain of IgG molecule | Authors: | Baral, T.N, Chao, S, Li, S, Tanha, J, Arbabai, M, Wang, S, Zhang, J. | Deposit date: | 2011-03-03 | Release date: | 2012-02-08 | Last modified: | 2014-02-05 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal Structure of a Human Single Domain Antibody Dimer Formed through V(H)-V(H) Non-Covalent Interactions. Plos One, 7, 2012
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5UK6
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![BU of 5uk6 by Molmil](/molmil-images/mine/5uk6) | Structure of Anabaena Sensory Rhodopsin Determined by Solid State NMR Spectroscopy and DEER | Descriptor: | Bacteriorhodopsin | Authors: | Milikisiyants, S, Wang, S, Munro, R.A, Donohue, M, Ward, M.E, Brown, L.S, Smirnova, T.I, Ladizhansky, V, Smirnov, A.I. | Deposit date: | 2017-01-20 | Release date: | 2017-05-31 | Last modified: | 2020-01-08 | Method: | SOLID-STATE NMR | Cite: | Oligomeric Structure of Anabaena Sensory Rhodopsin in a Lipid Bilayer Environment by Combining Solid-State NMR and Long-range DEER Constraints. J. Mol. Biol., 429, 2017
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3R0J
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![BU of 3r0j by Molmil](/molmil-images/mine/3r0j) | Structure of PhoP from Mycobacterium tuberculosis | Descriptor: | POSSIBLE TWO COMPONENT SYSTEM RESPONSE TRANSCRIPTIONAL POSITIVE REGULATOR PHOP, R-1,2-PROPANEDIOL, SULFATE ION | Authors: | Menon, S, Wang, S. | Deposit date: | 2011-03-08 | Release date: | 2011-07-13 | Last modified: | 2014-10-29 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure of the Response Regulator PhoP from Mycobacterium tuberculosis Reveals a Dimer through the Receiver Domain. Biochemistry, 50, 2011
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6JOH
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![BU of 6joh by Molmil](/molmil-images/mine/6joh) | |
5H3O
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![BU of 5h3o by Molmil](/molmil-images/mine/5h3o) | Structure of a eukaryotic cyclic nucleotide-gated channel | Descriptor: | CYCLIC GUANOSINE MONOPHOSPHATE, Cyclic nucleotide-gated cation channel, SODIUM ION | Authors: | Li, M, Zhou, X, Wang, S, Michailidis, I, Gong, Y, Su, D, Li, H, Li, X, Yang, J. | Deposit date: | 2016-10-26 | Release date: | 2017-01-25 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Structure of a eukaryotic cyclic-nucleotide-gated channel. Nature, 542, 2017
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5GYJ
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![BU of 5gyj by Molmil](/molmil-images/mine/5gyj) | Structure of catalytically active sortase from Clostridium difficile | Descriptor: | Putative peptidase C60B, sortase B | Authors: | Yin, J.-C, Fei, C.-H, Hsiao, Y.-Y, Nix, J.C, Huang, I.-H, Wang, S. | Deposit date: | 2016-09-22 | Release date: | 2017-01-04 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.801 Å) | Cite: | Structural Insights into Substrate Recognition by Clostridium difficile Sortase. Front Cell Infect Microbiol, 6, 2016
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6KWN
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![BU of 6kwn by Molmil](/molmil-images/mine/6kwn) | Crystal structure of pSLA-1*1301(F99Y) complex with S-OIV-derived epitope NSDTVGWSW | Descriptor: | Beta-2-microglobulin, MHC class I antigen, peptide | Authors: | Wei, X.H, Wang, S, Zhang, N.Z, Xia, C. | Deposit date: | 2019-09-07 | Release date: | 2020-09-09 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Peptidomes and Structures Illustrate Two Distinguishing Mechanisms of Alternating the Peptide Plasticity Caused by Swine MHC Class I Micropolymorphism. Front Immunol, 12, 2021
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6KWO
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![BU of 6kwo by Molmil](/molmil-images/mine/6kwo) | Crystal structure of pSLA-1*1301 complex with mutant epitope ESDTVGWSW | Descriptor: | Beta-2-microglobulin, MHC class I antigen, peptide | Authors: | Wei, X.H, Wang, S, Zhang, N.Z, Xia, C. | Deposit date: | 2019-09-07 | Release date: | 2020-09-09 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.803 Å) | Cite: | Peptidomes and Structures Illustrate Two Distinguishing Mechanisms of Alternating the Peptide Plasticity Caused by Swine MHC Class I Micropolymorphism. Front Immunol, 12, 2021
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6KWL
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![BU of 6kwl by Molmil](/molmil-images/mine/6kwl) | Crystal structure of pSLA-1*0401(R156A) complex with FMDV-derived epitope MTAHITVPY | Descriptor: | Beta-2-microglobulin, MHC class I antigen, peptide | Authors: | Wei, X.H, Wang, S, Zhang, N.Z, Xia, C. | Deposit date: | 2019-09-07 | Release date: | 2020-09-09 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Peptidomes and Structures Illustrate Two Distinguishing Mechanisms of Alternating the Peptide Plasticity Caused by Swine MHC Class I Micropolymorphism. Front Immunol, 12, 2021
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5TJA
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![BU of 5tja by Molmil](/molmil-images/mine/5tja) | I-II linker of TRPML1 channel at pH 6 | Descriptor: | Mucolipin-1 | Authors: | Li, M, Zhang, W.K, Benvin, N.M, Zhou, X, Su, D, Li, H, Wang, S, Michailidis, I.E, Tong, L, Li, X, Yang, J. | Deposit date: | 2016-10-04 | Release date: | 2017-01-25 | Last modified: | 2019-12-18 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural basis of dual Ca(2+)/pH regulation of the endolysosomal TRPML1 channel. Nat. Struct. Mol. Biol., 24, 2017
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5TJC
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![BU of 5tjc by Molmil](/molmil-images/mine/5tjc) | I-II linker of TRPML1 channel at pH 7.5 | Descriptor: | Mucolipin-1 | Authors: | Li, M, Zhang, W.K, Benvin, N.M, Zhou, X, Su, D, Li, H, Wang, S, Michailidis, I.E, Tong, L, Li, X, Yang, J. | Deposit date: | 2016-10-04 | Release date: | 2017-01-25 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural basis of dual Ca(2+)/pH regulation of the endolysosomal TRPML1 channel. Nat. Struct. Mol. Biol., 24, 2017
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5TVN
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![BU of 5tvn by Molmil](/molmil-images/mine/5tvn) | Crystal structure of the LSD-bound 5-HT2B receptor | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (8alpha)-N,N-diethyl-6-methyl-9,10-didehydroergoline-8-carboxamide, CHOLESTEROL, ... | Authors: | Wacker, D, Wang, S, McCorvy, J.D, Betz, R.M, Venkatakrishnan, A.J, Levit, A, Lansu, K, Schools, Z.L, Che, T, Nichols, D.E, Shoichet, B.K, Dror, R.O, Roth, B.L. | Deposit date: | 2016-11-09 | Release date: | 2017-02-01 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Crystal Structure of an LSD-Bound Human Serotonin Receptor. Cell, 168, 2017
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8GLT
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![BU of 8glt by Molmil](/molmil-images/mine/8glt) | Backbone model of de novo-designed chlorophyll-binding nanocage O32-15 | Descriptor: | C2-chlorophyll-comp_O32-15_ctermHis, polyalanine model, C3-comp_O32-15 | Authors: | Redler, R.L, Ennist, N.M, Wang, S, Baker, D, Ekiert, D.C, Bhabha, G. | Deposit date: | 2023-03-23 | Release date: | 2024-03-27 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (6.5 Å) | Cite: | De novo design of proteins housing excitonically coupled chlorophyll special pairs. Nat.Chem.Biol., 20, 2024
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