3HAR
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8CAF
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![BU of 8caf by Molmil](/molmil-images/mine/8caf) | N8C_Fab3b in complex with NEDD8-CUL1(WHB) | Descriptor: | Cullin-1, Fab Heavy Chain, Fab Light Chain, ... | Authors: | Duda, D.M, Yanishevski, D, Henneberg, L.T, Schulman, B.A. | Deposit date: | 2023-01-24 | Release date: | 2023-09-13 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.66 Å) | Cite: | Activity-based profiling of cullin-RING E3 networks by conformation-specific probes. Nat.Chem.Biol., 19, 2023
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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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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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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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5HZH
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![BU of 5hzh by Molmil](/molmil-images/mine/5hzh) | Crystal structure of photoinhibitable Rac1 containing C450A mutant LOV2 domain | Descriptor: | CALCIUM ION, FLAVIN MONONUCLEOTIDE, GUANOSINE-5'-TRIPHOSPHATE, ... | 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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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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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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6NLE
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![BU of 6nle by Molmil](/molmil-images/mine/6nle) | X-ray structure of LeuT with V269 deletion | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Navratna, V, Yang, D, Gouaux, E. | Deposit date: | 2019-01-08 | Release date: | 2020-01-15 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.615 Å) | Cite: | Structural, functional, and behavioral insights of dopamine dysfunction revealed by a deletion inSLC6A3. Proc.Natl.Acad.Sci.USA, 116, 2019
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5V54
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![BU of 5v54 by Molmil](/molmil-images/mine/5v54) | Crystal structure of 5-HT1B receptor in complex with methiothepin | Descriptor: | 1-methyl-4-[(5~{S})-3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazine, 5-hydroxytryptamine receptor 1B,OB-1 fused 5-HT1b receptor,5-hydroxytryptamine receptor 1B | Authors: | Yin, W.C, Zhou, X.E, Yang, D, de Waal, P, Wang, M.T, Dai, A, Cai, X, Huang, C.Y, Liu, P, Yin, Y, Liu, B, Caffrey, M, Melcher, K, Xu, Y, Wang, M.W, Xu, H.E, Jiang, Y. | Deposit date: | 2017-03-13 | Release date: | 2018-02-07 | Method: | X-RAY DIFFRACTION (3.9 Å) | Cite: | A common antagonistic mechanism for class A GPCRs revealed by the structure of the human 5-HT1B serotonin receptor bound to an antagonist Cell Discov, 2018
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4ZOG
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![BU of 4zog by Molmil](/molmil-images/mine/4zog) | |
6LMR
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![BU of 6lmr by Molmil](/molmil-images/mine/6lmr) | Solution structure of cold shock domain and ssDNA complex | Descriptor: | DNA (5'-D(P*AP*AP*CP*AP*CP*CP*T)-3'), Y-box-binding protein 1 | Authors: | Fan, J, Yang, D. | Deposit date: | 2019-12-26 | Release date: | 2020-07-22 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structural basis of DNA binding to human YB-1 cold shock domain regulated by phosphorylation. Nucleic Acids Res., 48, 2020
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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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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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5XEZ
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![BU of 5xez by Molmil](/molmil-images/mine/5xez) | 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, 4-{[(4-cyclohexylphenyl){[3-(methylsulfonyl)phenyl]carbamoyl}amino]methyl}-N-(1H-tetrazol-5-yl)benzamide, ... | 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 Å) | Cite: | Structure of the full-length glucagon class B G-protein-coupled receptor. Nature, 546, 2017
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1X95
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![BU of 1x95 by Molmil](/molmil-images/mine/1x95) | Solution structure of the DNA-hexamer ATGCAT complexed with DNA Bis-intercalating Anticancer Drug XR5944 (MLN944) | Descriptor: | 1-METHYL-9-[12-(9-METHYLPHENAZIN-10-IUM-1-YL)-12-OXO-2,11-DIAZA-5,8-DIAZONIADODEC-1-ANOYL]PHENAZIN-10-IUM, 5'-D(*AP*TP*GP*CP*AP*T)-3' | Authors: | Dai, J, Punchihewa, C, Mistry, P, Ooi, A.T, Yang, D. | Deposit date: | 2004-08-19 | Release date: | 2004-09-28 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Novel DNA bis-intercalation by MLN944, a potent clinical bisphenazine anticancer drug. J.Biol.Chem., 279, 2004
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5YQZ
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![BU of 5yqz by Molmil](/molmil-images/mine/5yqz) | Structure of the glucagon receptor in complex with a glucagon analogue | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Glucagon analogue, ... | Authors: | Zhang, H, Qiao, A, Yang, L, VAN EPS, N, Frederiksen, K, Yang, D, Dai, A, Cai, X, Zhang, H, Yi, C, Can, C, He, L, Yang, H, Lau, J, Ernst, O, Hanson, M, Stevens, R, Wang, M, Seedtz-Runge, S, Jiang, H, Zhao, Q, Wu, B. | Deposit date: | 2017-11-08 | Release date: | 2018-01-17 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structure of the glucagon receptor in complex with a glucagon analogue. Nature, 553, 2018
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2PY1
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![BU of 2py1 by Molmil](/molmil-images/mine/2py1) | |
3C90
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![BU of 3c90 by Molmil](/molmil-images/mine/3c90) | The 1.25 A Resolution Structure of Phosphoribosyl-ATP Pyrophosphohydrolase from Mycobacterium tuberculosis, crystal form II | Descriptor: | Phosphoribosyl-ATP pyrophosphatase | Authors: | Javid-Majd, F, Yang, D, Ioerger, T.R, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2008-02-14 | Release date: | 2008-04-01 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | The 1.25 A resolution structure of phosphoribosyl-ATP pyrophosphohydrolase from Mycobacterium tuberculosis. Acta Crystallogr.,Sect.D, 64, 2008
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2HY9
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![BU of 2hy9 by Molmil](/molmil-images/mine/2hy9) | Human telomere DNA quadruplex structure in K+ solution hybrid-1 form | Descriptor: | DNA (26-MER) | Authors: | Dai, J, Punchihewa, C, Jones, R.A, Hurley, L, Yang, D. | Deposit date: | 2006-08-04 | Release date: | 2007-04-10 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Structure of the intramolecular human telomeric G-quadruplex in potassium solution: a novel adenine triple formation. Nucleic Acids Res., 35, 2007
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5H3N
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![BU of 5h3n by Molmil](/molmil-images/mine/5h3n) | |