4KJU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4kju by Molmil](/molmil-images/mine/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
|
|
4KJV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4kjv by Molmil](/molmil-images/mine/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
|
|
1TD9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![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
|
|
3PJ1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![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
|
|
3PIY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3piy by Molmil](/molmil-images/mine/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
|
|
3PIZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3piz by Molmil](/molmil-images/mine/3piz) | |
3PJ3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3pj3 by Molmil](/molmil-images/mine/3pj3) | |
3PIX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3pix by Molmil](/molmil-images/mine/3pix) | |
3PJ2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3pj2 by Molmil](/molmil-images/mine/3pj2) | |
6HRP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6hrp by Molmil](/molmil-images/mine/6hrp) | |
6HRT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![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
|
|
2I6W
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![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
|
|
2HQB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2hqb by Molmil](/molmil-images/mine/2hqb) | |
2HQL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2hql by Molmil](/molmil-images/mine/2hql) | |
2OBH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![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
|
|
5LYG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![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
|
|
5LYK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![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
|
|
6BJF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![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
|
|
8FX5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![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
|
|
1BAB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1bab by Molmil](/molmil-images/mine/1bab) | |