4KJU
 
 | | Crystal structure of XIAP-Bir2 with a bound benzodiazepinone inhibitor. | | Descriptor: | E3 ubiquitin-protein ligase XIAP, N-{(3S)-5-(4-aminobenzoyl)-1-[(2-methoxynaphthalen-1-yl)methyl]-2-oxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-3-yl}-N~2~-methyl-L-alaninamide, ZINC ION | | Authors: | Lukacs, C.M, Janson, C.A. | | Deposit date: | 2013-05-03 | | Release date: | 2013-11-27 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Optimization of Benzodiazepinones as Selective Inhibitors of the X-Linked Inhibitor of Apoptosis Protein (XIAP) Second Baculovirus IAP Repeat (BIR2) Domain.
J.Med.Chem., 56, 2013
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4KJV
 | | Crystal structure of XIAP-Bir2 with a bound spirocyclic benzoxazepinone inhibitor. | | Descriptor: | 6-methoxy-5-({(3S)-3-[(N-methyl-L-alanyl)amino]-4-oxo-2',3,3',4,5',6'-hexahydro-5H-spiro[1,5-benzoxazepine-2,4'-pyran]-5-yl}methyl)naphthalene-2-carboxylic acid, E3 ubiquitin-protein ligase XIAP, ZINC ION | | Authors: | Lukacs, C.M, Janson, C.A. | | Deposit date: | 2013-05-03 | | Release date: | 2013-11-27 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Optimization of Benzodiazepinones as Selective Inhibitors of the X-Linked Inhibitor of Apoptosis Protein (XIAP) Second Baculovirus IAP Repeat (BIR2) Domain.
J.Med.Chem., 56, 2013
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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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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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3PIY
 | | Crystal structure of BTK kinase domain complexed with R406 | | Descriptor: | 6-({5-fluoro-2-[(3,4,5-trimethoxyphenyl)amino]pyrimidin-4-yl}amino)-2,2-dimethyl-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-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 (2.55 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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3PIZ
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3PJ3
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3PIX
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3PJ2
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6HRP
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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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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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2HQB
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2HQL
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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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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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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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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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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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1BAB
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