3PJ1
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![BU of 3pj1 by Molmil](/molmil-images/mine/3pj1) | Crystal structure of BTK kinase domain complexed with 3-(2,6-Dichloro-phenyl)-7-[4-(2-diethylamino-ethoxy)-phenylamino]-1-methyl-3,4-dihydro-1H-pyrimido[4,5-d]pyrimidin-2-one | Descriptor: | 3-(2,6-dichlorophenyl)-7-({4-[2-(diethylamino)ethoxy]phenyl}amino)-1-methyl-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one, Tyrosine-protein kinase BTK | Authors: | Kuglstatter, A, Wong, A. | Deposit date: | 2010-11-08 | Release date: | 2011-01-12 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Insights into the conformational flexibility of Bruton's tyrosine kinase from multiple ligand complex structures. Protein Sci., 20, 2011
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6M94
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![BU of 6m94 by Molmil](/molmil-images/mine/6m94) | Monophosphorylated pSer33 b-Catenin peptide bound to b-TrCP/Skp1 Complex | Descriptor: | Catenin beta-1, DIMETHYL SULFOXIDE, F-box/WD repeat-containing protein 1A, ... | Authors: | Simonetta, K.R, Clifton, M.C, Walter, R.L, Ranieri, G.M, Carter, J.J. | Deposit date: | 2018-08-22 | Release date: | 2019-04-03 | Last modified: | 2019-04-10 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Prospective discovery of small molecule enhancers of an E3 ligase-substrate interaction. Nat Commun, 10, 2019
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6M91
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![BU of 6m91 by Molmil](/molmil-images/mine/6m91) | Monophosphorylated pSer33 b-Catenin peptide, b-TrCP/Skp1, NRX-103094 ternary complex | Descriptor: | 3-({4-[(2,6-dichlorophenyl)sulfanyl]-2-oxo-6-(trifluoromethyl)-1,2-dihydropyridine-3-carbonyl}amino)benzoic acid, CHLORIDE ION, Catenin beta-1, ... | Authors: | Simonetta, K.R, Clifton, M.C, Walter, R.L, Ranieri, G.M, Carter, J.J. | Deposit date: | 2018-08-22 | Release date: | 2019-04-03 | Last modified: | 2019-04-10 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Prospective discovery of small molecule enhancers of an E3 ligase-substrate interaction. Nat Commun, 10, 2019
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6M93
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![BU of 6m93 by Molmil](/molmil-images/mine/6m93) | Monophosphorylated pSer33 b-Catenin peptide, b-TrCP/Skp1, NRX-1933 ternary complex | Descriptor: | 2-oxo-N-[3-(1H-tetrazol-5-yl)phenyl]-6-(trifluoromethyl)-1,2-dihydropyridine-3-carboxamide, Catenin beta-1, F-box/WD repeat-containing protein 1A, ... | Authors: | Simonetta, K.R, Clifton, M.C, Walter, R.L, Ranieri, G.M, Lee, S.J. | Deposit date: | 2018-08-22 | Release date: | 2019-04-03 | Last modified: | 2019-04-10 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Prospective discovery of small molecule enhancers of an E3 ligase-substrate interaction. Nat Commun, 10, 2019
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6M92
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![BU of 6m92 by Molmil](/molmil-images/mine/6m92) | Monophosphorylated pSer33 b-Catenin peptide, b-TrCP/Skp1, NRX-2663 ternary complex | Descriptor: | 3-{[2-oxo-4-phenoxy-6-(trifluoromethyl)-1,2-dihydropyridine-3-carbonyl]amino}benzoic acid, Catenin beta-1, F-box/WD repeat-containing protein 1A, ... | Authors: | Simonetta, K.R, Clifton, M.C, Walter, R.L, Ranieri, G.M, Carter, J.J, Lee, S.J. | Deposit date: | 2018-08-22 | Release date: | 2019-04-03 | Last modified: | 2020-01-15 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Prospective discovery of small molecule enhancers of an E3 ligase-substrate interaction. Nat Commun, 10, 2019
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6M90
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![BU of 6m90 by Molmil](/molmil-images/mine/6m90) | Monophosphorylated pSer33 b-Catenin peptide, b-TrCP/Skp1, NRX-2776 ternary complex | Descriptor: | 2-(2-fluorophenoxy)-3-{[2-oxo-6-(trifluoromethyl)-1,2-dihydropyridine-3-carbonyl]amino}benzoic acid, Catenin beta-1, F-box/WD repeat-containing protein 1A, ... | Authors: | Simonetta, K.R, Clifton, M.C, Walter, R.L, Ranieri, G.M, Carter, J.J. | Deposit date: | 2018-08-22 | Release date: | 2019-04-03 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Prospective discovery of small molecule enhancers of an E3 ligase-substrate interaction. Nat Commun, 10, 2019
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1TD9
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![BU of 1td9 by Molmil](/molmil-images/mine/1td9) | Crystal Structure of a Phosphotransacetylase from Bacillus subtilis | Descriptor: | Phosphate acetyltransferase, SULFATE ION | Authors: | Xu, Q.S, Jancarik, J, Yokota, H, Kim, R, Kim, S.-H, Berkeley Structural Genomics Center (BSGC) | Deposit date: | 2004-05-21 | Release date: | 2004-12-07 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Crystal structures of a phosphotransacetylase from Bacillus subtilis and its complex with acetyl phosphate J.STRUCT.FUNCT.GENOM., 6, 2005
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2I6W
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![BU of 2i6w by Molmil](/molmil-images/mine/2i6w) | Crystal structure of the multidrug efflux transporter AcrB | Descriptor: | Acriflavine resistance protein B | Authors: | Das, D, Xu, Q.S, Kim, S.H. | Deposit date: | 2006-08-29 | Release date: | 2007-05-01 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Crystal structure of the multidrug efflux transporter AcrB at 3.1A resolution reveals the N-terminal region with conserved amino acids. J.Struct.Biol., 158, 2007
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3PIX
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![BU of 3pix by Molmil](/molmil-images/mine/3pix) | |
3PJ2
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![BU of 3pj2 by Molmil](/molmil-images/mine/3pj2) | |
2HQB
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![BU of 2hqb by Molmil](/molmil-images/mine/2hqb) | |
2HQL
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![BU of 2hql by Molmil](/molmil-images/mine/2hql) | |
6HRP
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![BU of 6hrp by Molmil](/molmil-images/mine/6hrp) | |
6HRT
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![BU of 6hrt by Molmil](/molmil-images/mine/6hrt) | CRYSTAL STRUCTURE OF BTK KINASE DOMAIN COMPLEXED WITH 12-(6-tert-butyl-8-fluoro-1-oxo-phthalazin-2-yl)-9-hydroxy-6-methyl-4-[[5-(morpholine-4-carbonyl)-2-pyridyl]amino]-6-azatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,11,13-pentaen-5-one | Descriptor: | (9~{S})-12-(6-~{tert}-butyl-8-fluoranyl-1-oxidanylidene-phthalazin-2-yl)-6-methyl-4-[(5-morpholin-4-ylcarbonylpyridin-2-yl)amino]-9-oxidanyl-6-azatricyclo[9.4.0.0^{2,7}]pentadeca-1(15),2(7),3,11,13-pentaen-5-one, Tyrosine-protein kinase BTK | Authors: | Kuglstatter, A, Janson, C. | Deposit date: | 2018-09-28 | Release date: | 2019-03-20 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.36 Å) | Cite: | A potent seven-membered cyclic BTK (Bruton's tyrosine Kinase) chiral inhibitor conceived by structure-based drug design to lock its bioactive conformation. Bioorg.Med.Chem.Lett., 29, 2019
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2OBH
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![BU of 2obh by Molmil](/molmil-images/mine/2obh) | Centrin-XPC peptide | Descriptor: | CALCIUM ION, Centrin-2, DNA-repair protein complementing XP-C cells | Authors: | Charbonnier, J.B. | Deposit date: | 2006-12-19 | Release date: | 2007-10-09 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural, thermodynamic, and cellular characterization of human centrin 2 interaction with xeroderma pigmentosum group C protein. J.Mol.Biol., 373, 2007
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5LYK
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![BU of 5lyk by Molmil](/molmil-images/mine/5lyk) | CRYSTAL STRUCTURE OF INTRACELLULAR B30.2 DOMAIN OF BTN3A1 BOUND TO CITRATE | Descriptor: | 1,2-ETHANEDIOL, Butyrophilin subfamily 3 member A1, CITRATE ANION | Authors: | Mohammed, F, Baker, A.T, Salim, M, Willcox, B.E. | Deposit date: | 2016-09-28 | Release date: | 2017-09-13 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | BTN3A1 Discriminates gamma delta T Cell Phosphoantigens from Nonantigenic Small Molecules via a Conformational Sensor in Its B30.2 Domain. ACS Chem. Biol., 12, 2017
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5LYG
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![BU of 5lyg by Molmil](/molmil-images/mine/5lyg) | CRYSTAL STRUCTURE OF INTRACELLULAR B30.2 DOMAIN OF BTN3A1 BOUND TO MALONATE | Descriptor: | 1,2-ETHANEDIOL, Butyrophilin subfamily 3 member A1, MALONATE ION | Authors: | Mohammed, F, Baker, A.T, Salim, M, Willcox, B.E. | Deposit date: | 2016-09-28 | Release date: | 2017-09-13 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | BTN3A1 Discriminates gamma delta T Cell Phosphoantigens from Nonantigenic Small Molecules via a Conformational Sensor in Its B30.2 Domain. ACS Chem. Biol., 12, 2017
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6BJF
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![BU of 6bjf by Molmil](/molmil-images/mine/6bjf) | NMR Structural and biophysical functional analysis of intracellular loop 5 of the NHE1 isoform of the Na+/H+ exchanger. | Descriptor: | GLY-LEU-THR-TRP-PHE-ILE-ASN-LYS-PHE-ARG-ILE-VAL-LYS | Authors: | McKay, R, Wong, K, Towle, K, Fliegel, L. | Deposit date: | 2017-11-06 | Release date: | 2018-11-14 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Diverse residues of intracellular loop 5 of the Na+/H+exchanger modulate proton sensing, expression, activity and targeting. Biochim Biophys Acta Biomembr, 1861, 2019
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1BAB
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![BU of 1bab by Molmil](/molmil-images/mine/1bab) | |
8FX5
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![BU of 8fx5 by Molmil](/molmil-images/mine/8fx5) | Human M4 muscarinic acetylcholine receptor complex with Gi1 and xanomeline | Descriptor: | Antibody fragment scFv16, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | Authors: | Vuckovic, Z, Mobbs, J.I, Glukhova, A, Sexton, P.M, Danev, R, Thal, D.M. | Deposit date: | 2023-01-23 | Release date: | 2023-09-13 | Method: | ELECTRON MICROSCOPY (2.45 Å) | Cite: | Xanomeline displays concomitant orthosteric and allosteric binding modes at the M 4 mAChR. Nat Commun, 14, 2023
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