1R4L
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![BU of 1r4l by Molmil](/molmil-images/mine/1r4l) | Inhibitor Bound Human Angiotensin Converting Enzyme-Related Carboxypeptidase (ACE2) | Descriptor: | (S,S)-2-{1-CARBOXY-2-[3-(3,5-DICHLORO-BENZYL)-3H-IMIDAZOL-4-YL]-ETHYLAMINO}-4-METHYL-PENTANOIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | Authors: | Towler, P, Staker, B, Prasad, S.G, Menon, S, Ryan, D, Tang, J, Parsons, T, Fisher, M, Williams, D, Dales, N.A, Patane, M.A, Pantoliano, M.W. | Deposit date: | 2003-10-07 | Release date: | 2004-02-03 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | ACE2 X-ray structures reveal a large hinge-bending motion important for inhibitor binding and catalysis. J.Biol.Chem., 279, 2004
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1R42
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![BU of 1r42 by Molmil](/molmil-images/mine/1r42) | Native Human Angiotensin Converting Enzyme-Related Carboxypeptidase (ACE2) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ZINC ION, ... | Authors: | Towler, P, Staker, B, Prasad, S.G, Menon, S, Ryan, D, Tang, J, Parsons, T, Fisher, M, Williams, D, Dales, N.A, Patane, M.A, Pantoliano, M.W. | Deposit date: | 2003-10-07 | Release date: | 2004-02-03 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | ACE2 X-ray structures reveal a large hinge-bending motion important for inhibitor binding and catalysis. J.Biol.Chem., 279, 2004
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6D9G
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![BU of 6d9g by Molmil](/molmil-images/mine/6d9g) | |
6DZY
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![BU of 6dzy by Molmil](/molmil-images/mine/6dzy) | Cryo-EM structure of the ts2-active human serotonin transporter in complex with 15B8 Fab and 8B6 ScFv bound to ibogaine | Descriptor: | (5beta)-12-methoxyibogamine, 15B8 antibody heavy chain, 15B8 antibody light chain, ... | Authors: | Coleman, J.A, Yang, D, Gouaux, E. | Deposit date: | 2018-07-05 | Release date: | 2019-04-24 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (4.1 Å) | Cite: | Serotonin transporter-ibogaine complexes illuminate mechanisms of inhibition and transport. Nature, 569, 2019
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8F0V
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![BU of 8f0v by Molmil](/molmil-images/mine/8f0v) | Lipocalin-like Milk protein-2 - E38A mutant | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Milk protein, ZINC ION | Authors: | Subramanian, R, KanagaVijayan, D. | Deposit date: | 2022-11-04 | Release date: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.951 Å) | Cite: | Variability in phenylalanine side chain conformations facilitates broad substrate tolerance of fatty acid binding in cockroach milk proteins. Plos One, 18, 2023
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8F0Y
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![BU of 8f0y by Molmil](/molmil-images/mine/8f0y) | Lipocalin-like Milk protein-1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Milk protein | Authors: | Subramanian, R, KanagaVijayan, D, Shantakumar, R.P.S. | Deposit date: | 2022-11-04 | Release date: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Variability in phenylalanine side chain conformations facilitates broad substrate tolerance of fatty acid binding in cockroach milk proteins. Plos One, 18, 2023
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6DZV
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![BU of 6dzv by Molmil](/molmil-images/mine/6dzv) | Wild type human serotonin transporter in complex with 15B8 Fab bound to ibogaine in occluded conformation | Descriptor: | (5beta)-12-methoxyibogamine, 15B8 antibody heavy chain, 15B8 antibody light chain, ... | Authors: | Coleman, J.A, Yang, D, Gouaux, E. | Deposit date: | 2018-07-05 | Release date: | 2019-04-24 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (4.2 Å) | Cite: | Serotonin transporter-ibogaine complexes illuminate mechanisms of inhibition and transport. Nature, 569, 2019
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6DZW
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![BU of 6dzw by Molmil](/molmil-images/mine/6dzw) | Cryo-EM structure of the ts2-inactive human serotonin transporter in complex with paroxetine and 15B8 Fab and 8B6 ScFv | Descriptor: | 15B8 antibody heavy chain, 15B8 antibody light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Coleman, J.A, Yang, D, Gouaux, E. | Deposit date: | 2018-07-05 | Release date: | 2019-04-24 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (4.3 Å) | Cite: | Serotonin transporter-ibogaine complexes illuminate mechanisms of inhibition and transport. Nature, 569, 2019
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8ILV
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![BU of 8ilv by Molmil](/molmil-images/mine/8ilv) | Cryo-EM structure of PI3Kalpha in complex with compound 18 | Descriptor: | N-[(2R)-1-(ethylamino)-1-oxidanylidene-3-[3-(2-quinoxalin-6-ylethynyl)phenyl]propan-2-yl]-2,3-dimethyl-quinoxaline-6-carboxamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Authors: | Zhou, Q, Liu, X, Neri, D, Li, W, Favalli, N, Bassi, G, Yang, S, Yang, D, Vogt, P.K, Wang, M.-W. | Deposit date: | 2023-03-04 | Release date: | 2023-09-06 | Method: | ELECTRON MICROSCOPY (3.19 Å) | Cite: | Structural insights into the interaction of three Y-shaped ligands with PI3K alpha. Proc.Natl.Acad.Sci.USA, 120, 2023
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8ILS
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![BU of 8ils by Molmil](/molmil-images/mine/8ils) | Cryo-EM structure of PI3Kalpha in complex with compound 17 | Descriptor: | N-[(2R)-1-(ethylamino)-1-oxidanylidene-3-[4-(2-quinoxalin-6-ylethynyl)phenyl]propan-2-yl]-2,3-dimethyl-quinoxaline-6-carboxamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Authors: | Zhou, Q, Liu, X, Neri, D, Li, W, Favalli, N, Bassi, G, Yang, S, Yang, D, Vogt, P.K, Wang, M.-W. | Deposit date: | 2023-03-04 | Release date: | 2023-09-13 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structural insights into the interaction of three Y-shaped ligands with PI3K alpha. Proc.Natl.Acad.Sci.USA, 120, 2023
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7N7D
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![BU of 7n7d by Molmil](/molmil-images/mine/7n7d) | |
7N7E
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![BU of 7n7e by Molmil](/molmil-images/mine/7n7e) | |
7MSV
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![BU of 7msv by Molmil](/molmil-images/mine/7msv) | |
8ILR
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![BU of 8ilr by Molmil](/molmil-images/mine/8ilr) | Cryo-EM structure of PI3Kalpha in complex with compound 16 | Descriptor: | N-[(2S)-1-(ethylamino)-1-oxidanylidene-3-[4-(2-quinoxalin-6-ylethynyl)phenyl]propan-2-yl]-2,3-dimethyl-quinoxaline-6-carboxamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Authors: | Zhou, Q, Liu, X, Neri, D, Li, W, Favalli, N, Bassi, G, Yang, S, Yang, D, Vogt, P.K, Wang, M.-W. | Deposit date: | 2023-03-04 | Release date: | 2023-08-30 | Method: | ELECTRON MICROSCOPY (3.05 Å) | Cite: | Structural insights into the interaction of three Y-shaped ligands with PI3K alpha. Proc.Natl.Acad.Sci.USA, 120, 2023
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4ZOG
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![BU of 4zog by Molmil](/molmil-images/mine/4zog) | |
3WXZ
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![BU of 3wxz by Molmil](/molmil-images/mine/3wxz) | The structure of the I375F mutant of CsyB | Descriptor: | Putative uncharacterized protein csyB | Authors: | Mori, T, Yang, D, Matsui, T, Morita, H, Fujii, I, Abe, I. | Deposit date: | 2014-08-13 | Release date: | 2015-01-14 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.303 Å) | Cite: | Structural basis for the formation of acylalkylpyrones from two beta-ketoacyl units by the fungal type III polyketide synthase CsyB. J.Biol.Chem., 290, 2015
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5VEX
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![BU of 5vex by Molmil](/molmil-images/mine/5vex) | Structure of the human GLP-1 receptor complex with NNC0640 | Descriptor: | 4-{[(4-cyclohexylphenyl){[3-(methylsulfonyl)phenyl]carbamoyl}amino]methyl}-N-(1H-tetrazol-5-yl)benzamide, Glucagon-like peptide 1 receptor, Endolysin chimera | Authors: | Song, G, Yang, D, Wang, Y, Graaf, C.D, Zhou, Q, Jiang, S, Liu, K, Cai, X, Dai, A, Lin, G, Liu, D, Wu, F, Wu, Y, Zhao, S, Ye, L, Han, G.W, Lau, J, Wu, B, Hanson, M.A, Liu, Z.-J, Wang, M.-W, Stevens, R.C. | Deposit date: | 2017-04-05 | Release date: | 2017-05-17 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Human GLP-1 receptor transmembrane domain structure in complex with allosteric modulators. Nature, 546, 2017
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1XAV
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![BU of 1xav by Molmil](/molmil-images/mine/1xav) | Major G-quadruplex structure formed in human c-MYC promoter, a monomeric parallel-stranded quadruplex | Descriptor: | 5'-D(*TP*GP*AP*GP*GP*GP*TP*GP*GP*GP*TP*AP*GP*GP*GP*TP*GP*GP*GP*TP*AP*A)-3', POTASSIUM ION | Authors: | Ambrus, A, Chen, D, Dai, J, Jones, R.A, Yang, D. | Deposit date: | 2004-08-26 | Release date: | 2005-02-01 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Solution structure of the biologically relevant G-Quadruplex element in the human c-MYC promoter. Implications for G-quadruplex stabilization. Biochemistry, 44, 2005
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5VEW
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![BU of 5vew by Molmil](/molmil-images/mine/5vew) | Structure of the human GLP-1 receptor complex with PF-06372222 | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Glucagon-like peptide 1 receptor,Endolysin chimera, N-{4-[(R)-(3,3-dimethylcyclobutyl)({6-[4-(trifluoromethyl)-1H-imidazol-1-yl]pyridin-3-yl}amino)methyl]benzene-1-carbonyl}-beta-alanine, ... | Authors: | Song, G, Yang, D, Wang, Y, Graaf, C.D, Zhou, Q, Jiang, S, Liu, K, Cai, X, Dai, A, Lin, G, Liu, D, Wu, F, Wu, Y, Zhao, S, Ye, L, Han, G.W, Lau, J, Wu, B, Hanson, M.A, Liu, Z.-J, Wang, M.-W, Stevens, R.C. | Deposit date: | 2017-04-05 | Release date: | 2017-05-24 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Human GLP-1 receptor transmembrane domain structure in complex with allosteric modulators. Nature, 546, 2017
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5XF1
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![BU of 5xf1 by Molmil](/molmil-images/mine/5xf1) | Structure of the Full-length glucagon class B G protein-coupled receptor | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Zhang, H, Qiao, A, Yang, D, Yang, L, Dai, A, de Graaf, C, Reedtz-Runge, S, Dharmarajan, V, Zhang, H, Han, G.W, Grant, T, Sierra, R, Weierstall, U, Nelson, G, Liu, W, Wu, Y, Ma, L, Cai, X, Lin, G, Wu, X, Geng, Z, Dong, Y, Song, G, Griffin, P, Lau, J, Cherezov, V, Yang, H, Hanson, M, Stevens, R, Jiang, H, Wang, M, Zhao, Q, Wu, B. | Deposit date: | 2017-04-06 | Release date: | 2017-05-24 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.19 Å) | Cite: | Structure of the full-length glucagon class B G-protein-coupled receptor. Nature, 546, 2017
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2F8U
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![BU of 2f8u by Molmil](/molmil-images/mine/2f8u) | G-quadruplex structure formed in human Bcl-2 promoter, hybrid form | Descriptor: | 5'-D(*GP*GP*GP*CP*GP*CP*GP*GP*GP*AP*GP*GP*AP*AP*TP*TP*GP*GP*GP*CP*GP*GP*G)-3' | Authors: | Dai, J, Chen, D, Carver, M, Yang, D. | Deposit date: | 2005-12-03 | Release date: | 2006-11-07 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | NMR solution structure of the major G-quadruplex structure formed in the human BCL2 promoter region. Nucleic Acids Res., 34, 2006
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2LUT
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![BU of 2lut by Molmil](/molmil-images/mine/2lut) | NMR solution structure of midkine-a | Descriptor: | Midkine-related growth factor | Authors: | Lim, J, Yang, D, Meng, D. | Deposit date: | 2012-06-21 | Release date: | 2013-05-01 | Method: | SOLUTION NMR | Cite: | Structural and Functional Characterization of Two Zebrafish Midkine Proteins Reveals Importance of the Conserved Hinge for Heparin Binding and Embryogenesis To be Published
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5HZI
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![BU of 5hzi by Molmil](/molmil-images/mine/5hzi) | Crystal structure of photoinhibitable Intersectin1 containing C450M mutant LOV2 domain | Descriptor: | FLAVIN MONONUCLEOTIDE, Intersectin-1,NPH1-1,Intersectin-1 | Authors: | Tarnawski, M, Dagliyan, O, Chu, P.H, Shirvanyants, D, Dokholyan, N.V, Hahn, K.M, Schlichting, I. | Deposit date: | 2016-02-02 | Release date: | 2016-12-21 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Engineering extrinsic disorder to control protein activity in living cells. Science, 354, 2016
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5HZJ
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![BU of 5hzj by Molmil](/molmil-images/mine/5hzj) | Crystal structure of photoinhibitable Intersectin1 containing wildtype LOV2 domain | Descriptor: | FLAVIN MONONUCLEOTIDE, Intersectin-1,NPH1-1,Intersectin-1 | Authors: | Tarnawski, M, Dagliyan, O, Chu, P.H, Shirvanyants, D, Dokholyan, N.V, Hahn, K.M, Schlichting, I. | Deposit date: | 2016-02-02 | Release date: | 2016-12-21 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Engineering extrinsic disorder to control protein activity in living cells. Science, 354, 2016
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5HZK
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![BU of 5hzk by Molmil](/molmil-images/mine/5hzk) | Crystal structure of photoinhibitable Intersectin1 containing wildtype LOV2 domain in complex with Cdc42 | Descriptor: | Cell division control protein 42 homolog, FLAVIN MONONUCLEOTIDE, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Tarnawski, M, Dagliyan, O, Chu, P.H, Shirvanyants, D, Dokholyan, N.V, Hahn, K.M, Schlichting, I. | Deposit date: | 2016-02-02 | Release date: | 2016-12-21 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Engineering extrinsic disorder to control protein activity in living cells. Science, 354, 2016
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