6CCY
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![BU of 6ccy by Molmil](/molmil-images/mine/6ccy) | Crystal structure of Akt1 in complex with a selective inhibitor | Descriptor: | (5R)-4-(4-{4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-[2-(pyrrolidin-1-yl)ethyl]-1H-imidazol-2-yl}piperidin-1-yl)-5-methyl-5,8-dihydropyrido[2,3-d]pyrimidin-7(6H)-one, RAC-alpha serine/threonine-protein kinase,PIFtide | Authors: | Wang, Y, Stout, S. | Deposit date: | 2018-02-07 | Release date: | 2018-05-02 | Last modified: | 2018-05-16 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Discovery of chiral dihydropyridopyrimidinones as potent, selective and orally bioavailable inhibitors of AKT. Bioorg. Med. Chem. Lett., 28, 2018
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8HXB
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![BU of 8hxb by Molmil](/molmil-images/mine/8hxb) | Cryo-EM structure of MPXV M2 hexamer in complex with human B7.2 | Descriptor: | NFkB inhibitor, T-lymphocyte activation antigen CD86 | Authors: | Wang, Y, Yang, S, Zhao, H, Deng, Z. | Deposit date: | 2023-01-04 | Release date: | 2023-08-30 | Last modified: | 2023-12-13 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Structural and functional insights into the modulation of T cell costimulation by monkeypox virus protein M2. Nat Commun, 14, 2023
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8HXA
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![BU of 8hxa by Molmil](/molmil-images/mine/8hxa) | Cryo-EM structure of MPXV M2 in complex with human B7.1 | Descriptor: | NFkB inhibitor, T-lymphocyte activation antigen CD80 | Authors: | Wang, Y, Yang, S, Zhao, H, Deng, Z. | Deposit date: | 2023-01-04 | Release date: | 2023-08-30 | Last modified: | 2023-12-13 | Method: | ELECTRON MICROSCOPY (3.04 Å) | Cite: | Structural and functional insights into the modulation of T cell costimulation by monkeypox virus protein M2. Nat Commun, 14, 2023
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8HXC
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![BU of 8hxc by Molmil](/molmil-images/mine/8hxc) | Cryo-EM structure of MPXV M2 heptamer in complex with human B7.2 | Descriptor: | NFkB inhibitor, T-lymphocyte activation antigen CD86 | Authors: | Wang, Y, Yang, S, Zhao, H, Deng, Z. | Deposit date: | 2023-01-04 | Release date: | 2023-08-30 | Last modified: | 2023-12-13 | Method: | ELECTRON MICROSCOPY (3.12 Å) | Cite: | Structural and functional insights into the modulation of T cell costimulation by monkeypox virus protein M2. Nat Commun, 14, 2023
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6DFX
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![BU of 6dfx by Molmil](/molmil-images/mine/6dfx) | human diabetogenic TCR T1D3 in complex with DQ8-p8E9E peptide | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Wang, Y, Dai, S. | Deposit date: | 2018-05-15 | Release date: | 2019-04-17 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | How C-terminal additions to insulin B-chain fragments create superagonists for T cells in mouse and human type 1 diabetes. Sci Immunol, 4, 2019
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6DFQ
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![BU of 6dfq by Molmil](/molmil-images/mine/6dfq) | mouse diabetogenic TCR I.29 | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, TCR alpha chain, ... | Authors: | Wang, Y, Dai, S. | Deposit date: | 2018-05-15 | Release date: | 2019-04-17 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | How C-terminal additions to insulin B-chain fragments create superagonists for T cells in mouse and human type 1 diabetes. Sci Immunol, 4, 2019
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6DFV
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![BU of 6dfv by Molmil](/molmil-images/mine/6dfv) | Mouse diabetogenic TCR 8F10 | Descriptor: | 1,2-ETHANEDIOL, TCR alpha chain, TCR beta chain | Authors: | Wang, Y, Dai, S. | Deposit date: | 2018-05-15 | Release date: | 2019-04-17 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | How C-terminal additions to insulin B-chain fragments create superagonists for T cells in mouse and human type 1 diabetes. Sci Immunol, 4, 2019
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6J08
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![BU of 6j08 by Molmil](/molmil-images/mine/6j08) | Crystal structure of human MAJIN and TERB2 | Descriptor: | Membrane-anchored junction protein, Telomere repeats-binding bouquet formation protein 2 | Authors: | Wang, Y, Chen, Y, Wu, J, Huang, C, Lei, M. | Deposit date: | 2018-12-21 | Release date: | 2019-02-27 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | The meiotic TERB1-TERB2-MAJIN complex tethers telomeres to the nuclear envelope. Nat Commun, 10, 2019
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5DMK
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![BU of 5dmk by Molmil](/molmil-images/mine/5dmk) | Crystal Structure of IAg7 in complex with RLGL-WE14 | Descriptor: | CITRATE ANION, H-2 class II histocompatibility antigen, A-D alpha chain, ... | Authors: | Wang, Y, Jin, N, Dai, S, Kappler, J.W. | Deposit date: | 2015-09-08 | Release date: | 2015-10-28 | Last modified: | 2016-04-06 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | N-terminal additions to the WE14 peptide of chromogranin A create strong autoantigen agonists in type 1 diabetes. Proc.Natl.Acad.Sci.USA, 112, 2015
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7DET
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![BU of 7det by Molmil](/molmil-images/mine/7det) | Crystal structure of SARS-CoV-2 RBD in complex with a neutralizing antibody scFv | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody scFv | Authors: | Wang, Y, Zhang, G, Li, X, Rao, Z, Guo, Y. | Deposit date: | 2020-11-05 | Release date: | 2021-03-31 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural basis for SARS-CoV-2 neutralizing antibodies with novel binding epitopes. Plos Biol., 19, 2021
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5XIW
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![BU of 5xiw by Molmil](/molmil-images/mine/5xiw) | Crystal structure of T2R-TTL-Colchicine complex | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GLYCEROL, ... | Authors: | Wang, Y, Yang, J, Wang, T, Chen, L. | Deposit date: | 2017-04-27 | Release date: | 2018-04-18 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | The compound millepachine and its derivatives inhibit tubulin polymerization by irreversibly binding to the colchicine-binding site in beta-tubulin. J. Biol. Chem., 2018
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6LYI
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![BU of 6lyi by Molmil](/molmil-images/mine/6lyi) | |
5XP3
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![BU of 5xp3 by Molmil](/molmil-images/mine/5xp3) | Crystal structure of apo T2R-TTL | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GLYCEROL, ... | Authors: | Wang, Y, Yang, J, Wang, T, Chen, L. | Deposit date: | 2017-05-31 | Release date: | 2017-10-25 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The compound millepachine and its derivatives inhibit tubulin polymerization by irreversibly binding to the colchicine-binding site in beta-tubulin. J. Biol. Chem., 2018
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6NOD
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![BU of 6nod by Molmil](/molmil-images/mine/6nod) | Crystal structure of C. elegans PUF-8 in complex with RNA | Descriptor: | PUF (Pumilio/FBF) domain-containing, RNA (5'-R(P*UP*GP*UP*AP*UP*AP*UP*A)-3') | Authors: | Wang, Y, McCann, K.L, Qiu, C, Hall, T.M.T. | Deposit date: | 2019-01-16 | Release date: | 2019-01-30 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.547 Å) | Cite: | Engineering a conserved RNA regulatory protein repurposes its biological function in vivo . Elife, 8, 2019
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2JOW
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![BU of 2jow by Molmil](/molmil-images/mine/2jow) | Differences in the electrostatic surfaces of the type III secretion needle proteins | Descriptor: | Protein prgI | Authors: | Wang, Y, Ouellette, A.N, Egan, C.W, De Guzman, R.N. | Deposit date: | 2007-04-06 | Release date: | 2007-07-24 | Last modified: | 2024-05-08 | Method: | SOLUTION NMR | Cite: | Differences in the Electrostatic Surfaces of the Type III Secretion Needle Proteins PrgI, BsaL, and MxiH J.Mol.Biol., 371, 2007
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4IW1
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![BU of 4iw1 by Molmil](/molmil-images/mine/4iw1) | HSA-fructose complex | Descriptor: | D-fructose, PHOSPHATE ION, Serum albumin, ... | Authors: | Wang, Y, Yu, H, Shi, X, Huang, M. | Deposit date: | 2013-01-23 | Release date: | 2013-04-24 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.56 Å) | Cite: | Structural mechanism of ring-opening reaction of glucose by human serum albumin J.Biol.Chem., 288, 2013
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4JFM
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![BU of 4jfm by Molmil](/molmil-images/mine/4jfm) | Increasing the Efficiency Efficiency of Ligands for the FK506-Binding Protein 51 by Conformational Control: Complex of FKBP51 with 2-(3,4-dimethoxyphenoxy)ethyl (2S)-1-[(2-oxo-2,3-dihydro-1,3-benzothiazol-6-yl)sulfonyl]piperidine-2-carboxylate | Descriptor: | 2-(3,4-dimethoxyphenoxy)ethyl (2S)-1-[(2-oxo-2,3-dihydro-1,3-benzothiazol-6-yl)sulfonyl]piperidine-2-carboxylate, Peptidyl-prolyl cis-trans isomerase FKBP5 | Authors: | Wang, Y, Kirschner, A, Fabian, A, Gopalakrishnan, R, Kress, C, Hoogeland, B, Koch, U, Kozany, C, Bracher, A, Hausch, F. | Deposit date: | 2013-02-28 | Release date: | 2013-08-28 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.02 Å) | Cite: | Increasing the efficiency of ligands for FK506-binding protein 51 by conformational control. J.Med.Chem., 56, 2013
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4K2C
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![BU of 4k2c by Molmil](/molmil-images/mine/4k2c) | HSA Ligand Free | Descriptor: | Serum albumin | Authors: | Wang, Y, Luo, Z, Shi, X, Huang, M. | Deposit date: | 2013-04-08 | Release date: | 2013-05-01 | Last modified: | 2018-02-21 | Method: | X-RAY DIFFRACTION (3.23 Å) | Cite: | Structural mechanism of ring-opening reaction of glucose by human serum albumin. J. Biol. Chem., 288, 2013
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4JFJ
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![BU of 4jfj by Molmil](/molmil-images/mine/4jfj) | Increasing the Efficiency Efficiency of Ligands for the FK506-Binding Protein 51 by Conformational Control: Complex of FKBP51 with compound (1S,6R)-10-(1,3-benzothiazol-6-ylsulfonyl)-3-[2-(3,4-dimethoxyphenoxy)ethyl]-3,10-diazabicyclo[4.3.1]decan-2-one | Descriptor: | (1S,6R)-10-(1,3-benzothiazol-6-ylsulfonyl)-3-[2-(3,4-dimethoxyphenoxy)ethyl]-3,10-diazabicyclo[4.3.1]decan-2-one, Peptidyl-prolyl cis-trans isomerase FKBP5 | Authors: | Wang, Y, Kirschner, A, Fabian, A, Gopalakrishnan, R, Kress, C, Hoogeland, B, Koch, U, Kozany, C, Bracher, A, Hausch, F. | Deposit date: | 2013-02-28 | Release date: | 2013-08-28 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.08 Å) | Cite: | Increasing the efficiency of ligands for FK506-binding protein 51 by conformational control. J.Med.Chem., 56, 2013
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4M8M
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![BU of 4m8m by Molmil](/molmil-images/mine/4m8m) | |
4JFL
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![BU of 4jfl by Molmil](/molmil-images/mine/4jfl) | Increasing the Efficiency Efficiency of Ligands for the FK506-Binding Protein 51 by Conformational Control: Complex of FKBP51 with 6-({(1S,5R)-3-[2-(3,4-dimethoxyphenoxy)ethyl]-2-oxo-3,9-diazabicyclo[3.3.1]non-9-yl}sulfonyl)-1,3-benzothiazol-2(3H)-one | Descriptor: | 6-({(1S,5R)-3-[2-(3,4-dimethoxyphenoxy)ethyl]-2-oxo-3,9-diazabicyclo[3.3.1]non-9-yl}sulfonyl)-1,3-benzothiazol-2(3H)-one, Peptidyl-prolyl cis-trans isomerase FKBP5 | Authors: | Wang, Y, Kirschner, A, Fabian, A, Gopalakrishnan, R, Kress, C, Hoogeland, B, Koch, U, Kozany, C, Bracher, A, Hausch, F. | Deposit date: | 2013-02-28 | Release date: | 2013-08-28 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Increasing the efficiency of ligands for FK506-binding protein 51 by conformational control. J.Med.Chem., 56, 2013
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4JFI
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![BU of 4jfi by Molmil](/molmil-images/mine/4jfi) | Increasing the Efficiency Efficiency of Ligands for the FK506-Binding Protein 51 by Conformational Control: Complex of FKBP51 with compound 1-[(9S,13R,13aR)-1,3-dimethoxy-8-oxo-5,8,9,10,11,12,13,13a-octahydro-6H-9,13-epiminoazocino[2,1-a]isoquinolin-14-yl]-2-(3,4,5-trimethoxyphenyl)ethane-1,2-dione | Descriptor: | 1-[(9S,13R,13aR)-1,3-dimethoxy-8-oxo-5,8,9,10,11,12,13,13a-octahydro-6H-9,13-epiminoazocino[2,1-a]isoquinolin-14-yl]-2-(3,4,5-trimethoxyphenyl)ethane-1,2-dione, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Wang, Y, Kirschner, A, Fabian, A, Gopalakrishnan, R, Kress, C, Hoogeland, B, Koch, U, Kozany, C, Bracher, A, Hausch, F. | Deposit date: | 2013-02-28 | Release date: | 2013-08-28 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | Increasing the efficiency of ligands for FK506-binding protein 51 by conformational control. J.Med.Chem., 56, 2013
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4JFK
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![BU of 4jfk by Molmil](/molmil-images/mine/4jfk) | Increasing the Efficiency Efficiency of Ligands for the FK506-Binding Protein 51 by Conformational Control: Complex of FKBP51 with (1S,6R)-3-[2-(3,4-dimethoxyphenoxy)ethyl]-10-[(2-oxo-2,3-dihydro-1,3-benzothiazol-6-yl)sulfonyl]-3,10-diazabicyclo[4.3.1]decan-2-one | Descriptor: | (1S,6R)-3-[2-(3,4-dimethoxyphenoxy)ethyl]-10-[(2-oxo-2,3-dihydro-1,3-benzothiazol-6-yl)sulfonyl]-3,10-diazabicyclo[4.3.1]decan-2-one, Peptidyl-prolyl cis-trans isomerase FKBP5 | Authors: | Wang, Y, Kirschner, A, Fabian, A, Gopalakrishnan, R, Kress, C, Hoogeland, B, Koch, U, Kozany, C, Bracher, A, Hausch, F. | Deposit date: | 2013-02-28 | Release date: | 2013-08-28 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Increasing the efficiency of ligands for FK506-binding protein 51 by conformational control. J.Med.Chem., 56, 2013
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4IW2
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![BU of 4iw2 by Molmil](/molmil-images/mine/4iw2) | HSA-glucose complex | Descriptor: | D-glucose, PHOSPHATE ION, Serum albumin, ... | Authors: | Wang, Y, Yu, H, Shi, X, Luo, Z, Huang, M. | Deposit date: | 2013-01-23 | Release date: | 2013-04-24 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | Structural mechanism of ring-opening reaction of glucose by human serum albumin J.Biol.Chem., 288, 2013
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5UHR
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![BU of 5uhr by Molmil](/molmil-images/mine/5uhr) | |