6XRL
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![BU of 6xrl by Molmil](/molmil-images/mine/6xrl) | Crystal structure of human PI3K-gamma in complex with inhibitor IPI-549 | Descriptor: | 2-amino-N-[(1S)-1-{8-[(1-methyl-1H-pyrazol-4-yl)ethynyl]-1-oxo-2-phenyl-1,2-dihydroisoquinolin-3-yl}ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION | Authors: | Walker, N.P, Jeffrey, J.L. | Deposit date: | 2020-07-13 | Release date: | 2020-09-16 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.99 Å) | Cite: | Discovery of Potent and Selective PI3K gamma Inhibitors. J.Med.Chem., 63, 2020
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6XSB
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![BU of 6xsb by Molmil](/molmil-images/mine/6xsb) | |
6XSF
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![BU of 6xsf by Molmil](/molmil-images/mine/6xsf) | |
3KQM
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![BU of 3kqm by Molmil](/molmil-images/mine/3kqm) | Crystal Structure of hPNMT in Complex AdoHcy and 4-Bromo-1H-imidazole | Descriptor: | 4-bromo-1H-imidazole, Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | Authors: | Drinkwater, N, Martin, J.L. | Deposit date: | 2009-11-17 | Release date: | 2010-09-29 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Fragment-based screening by X-ray crystallography, MS and isothermal titration calorimetry to identify PNMT (phenylethanolamine N-methyltransferase) inhibitors. Biochem.J., 431, 2010
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3KQS
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![BU of 3kqs by Molmil](/molmil-images/mine/3kqs) | Crystal Structure of hPNMT in Complex AdoHcy and 2-Aminobenzimidazole | Descriptor: | 1H-benzimidazol-2-amine, Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | Authors: | Drinkwater, N, Martin, J.L. | Deposit date: | 2009-11-17 | Release date: | 2010-09-29 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.005 Å) | Cite: | Fragment-based screening by X-ray crystallography, MS and isothermal titration calorimetry to identify PNMT (phenylethanolamine N-methyltransferase) inhibitors. Biochem.J., 431, 2010
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6XH3
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![BU of 6xh3 by Molmil](/molmil-images/mine/6xh3) | |
3KPJ
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![BU of 3kpj by Molmil](/molmil-images/mine/3kpj) | Crystal Structure of hPNMT in Complex AdoHcy and Bound Phosphate | Descriptor: | PHOSPHATE ION, Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | Authors: | Drinkwater, N, Martin, J.L. | Deposit date: | 2009-11-16 | Release date: | 2010-09-29 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Fragment-based screening by X-ray crystallography, MS and isothermal titration calorimetry to identify PNMT (phenylethanolamine N-methyltransferase) inhibitors. Biochem.J., 431, 2010
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3KQW
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![BU of 3kqw by Molmil](/molmil-images/mine/3kqw) | Crystal Structure of hPNMT in Complex AdoHcy and 5-Chlorobenzimidazole | Descriptor: | 5-chloro-1H-benzimidazole, Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | Authors: | Drinkwater, N, Martin, J.L. | Deposit date: | 2009-11-17 | Release date: | 2010-09-29 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.486 Å) | Cite: | Fragment-based screening by X-ray crystallography, MS and isothermal titration calorimetry to identify PNMT (phenylethanolamine N-methyltransferase) inhibitors. Biochem.J., 431, 2010
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3KPV
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![BU of 3kpv by Molmil](/molmil-images/mine/3kpv) | Crystal Structure of hPNMT in Complex AdoHcy and Adenine | Descriptor: | ADENINE, Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | Authors: | Drinkwater, N, Martin, J.L. | Deposit date: | 2009-11-17 | Release date: | 2010-09-29 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Fragment-based screening by X-ray crystallography, MS and isothermal titration calorimetry to identify PNMT (phenylethanolamine N-methyltransferase) inhibitors. Biochem.J., 431, 2010
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3KQQ
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![BU of 3kqq by Molmil](/molmil-images/mine/3kqq) | Crystal Structure of hPNMT in Complex AdoHcy and 2-Hydroxynicotinic acid | Descriptor: | 2-oxo-1,2-dihydropyridine-3-carboxylic acid, Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | Authors: | Drinkwater, N, Martin, J.L. | Deposit date: | 2009-11-17 | Release date: | 2010-09-29 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Fragment-based screening by X-ray crystallography, MS and isothermal titration calorimetry to identify PNMT (phenylethanolamine N-methyltransferase) inhibitors. Biochem.J., 431, 2010
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7SN6
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![BU of 7sn6 by Molmil](/molmil-images/mine/7sn6) | U2AF65 UHM BOUND TO SF3B155 ULM5 | Descriptor: | ISOPROPYL ALCOHOL, Splicing factor 3B subunit 1, Splicing factor U2AF 65 kDa subunit | Authors: | Loerch, S, Jenkins, J.L, Kielkopf, C.L. | Deposit date: | 2021-10-27 | Release date: | 2022-07-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | A UHM-ULM interface with unusual structural features contributes to U2AF2 and SF3B1 association for pre-mRNA splicing. J.Biol.Chem., 298, 2022
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3KQY
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![BU of 3kqy by Molmil](/molmil-images/mine/3kqy) | |
3KQO
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![BU of 3kqo by Molmil](/molmil-images/mine/3kqo) | Crystal Structure of hPNMT in Complex AdoHcy and 6-Chloropurine | Descriptor: | 6-chloro-9H-purine, Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | Authors: | Drinkwater, N, Martin, J.L. | Deposit date: | 2009-11-17 | Release date: | 2010-09-29 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Fragment-based screening by X-ray crystallography, MS and isothermal titration calorimetry to identify PNMT (phenylethanolamine N-methyltransferase) inhibitors. Biochem.J., 431, 2010
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3KR1
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![BU of 3kr1 by Molmil](/molmil-images/mine/3kr1) | |
7TAP
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![BU of 7tap by Molmil](/molmil-images/mine/7tap) | Cryo-EM structure of archazolid A bound to yeast VO V-ATPase | Descriptor: | Archazolid A, V-type proton ATPase subunit a, vacuolar isoform, ... | Authors: | Keon, K.A, Rubinstein, J.L, Benlekbir, S, Kirsch, S.H, Muller, R. | Deposit date: | 2021-12-21 | Release date: | 2022-02-23 | Last modified: | 2022-03-30 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Cryo-EM of the Yeast V O Complex Reveals Distinct Binding Sites for Macrolide V-ATPase Inhibitors. Acs Chem.Biol., 17, 2022
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1HSA
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![BU of 1hsa by Molmil](/molmil-images/mine/1hsa) | THE THREE-DIMENSIONAL STRUCTURE OF HLA-B27 AT 2.1 ANGSTROMS RESOLUTION SUGGESTS A GENERAL MECHANISM FOR TIGHT PEPTIDE BINDING TO MHC | Descriptor: | BETA 2-MICROGLOBULIN, CLASS I HISTOCOMPATIBILITY ANTIGEN (HLA-B*2705), MODEL PEPTIDE SEQUENCE - ARAAAAAAA | Authors: | Madden, D.R, Gorga, J.C, Strominger, J.L, Wiley, D.C. | Deposit date: | 1992-08-11 | Release date: | 1992-10-15 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The three-dimensional structure of HLA-B27 at 2.1 A resolution suggests a general mechanism for tight peptide binding to MHC. Cell(Cambridge,Mass.), 70, 1992
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4MYZ
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![BU of 4myz by Molmil](/molmil-images/mine/4myz) | |
4XOU
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![BU of 4xou by Molmil](/molmil-images/mine/4xou) | Crystal structure of the SR Ca2+-ATPase in the Ca2-E1-MgAMPPCP form determined by serial femtosecond crystallography using an X-ray free-electron laser. | Descriptor: | CALCIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, POTASSIUM ION, ... | Authors: | Bublitz, M, Nass, K, Drachmann, N.D, Markvardsen, A.J, Gutmann, M.J, Barends, T.R.M, Mattle, D, Shoeman, R.L, Doak, R.B, Boutet, S, Messerschmidt, M, Seibert, M.M, Williams, G.J, Foucar, L, Reinhard, L, Sitsel, O, Gregersen, J.L, Clausen, J.D, Boesen, T, Gotfryd, K, Wang, K.-T, Olesen, C, Moller, J.V, Nissen, P, Schlichting, I. | Deposit date: | 2015-01-16 | Release date: | 2015-06-10 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural studies of P-type ATPase-ligand complexes using an X-ray free-electron laser. Iucrj, 2, 2015
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4XAC
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![BU of 4xac by Molmil](/molmil-images/mine/4xac) | Crystal Structure of EvdO2 from Micromonospora carbonacea var. aurantiaca complexed with 2-oxoglutarate | Descriptor: | 2-OXOGLUTARIC ACID, EvdO2, IMIDAZOLE, ... | Authors: | McCulloch, K.M, McCranie, E.K, Sarwar, M, Mathieu, J.L, Gitschlag, B.L, Du, Y, Bachmann, B.O, Iverson, T.M. | Deposit date: | 2014-12-13 | Release date: | 2015-08-05 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Oxidative cyclizations in orthosomycin biosynthesis expand the known chemistry of an oxygenase superfamily. Proc.Natl.Acad.Sci.USA, 112, 2015
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4XCA
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![BU of 4xca by Molmil](/molmil-images/mine/4xca) | Crystal Structure of HygX from Streptomyces hygroscopicus with nickel and 2-oxoglutarate bound | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-OXOGLUTARIC ACID, CESIUM ION, ... | Authors: | McCulloch, K.M, McCranie, E.K, Sarwar, M, Mathieu, J.L, Gitschlag, B.L, Du, Y, Bachmann, B.O, Iverson, T.M. | Deposit date: | 2014-12-17 | Release date: | 2015-08-05 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.295 Å) | Cite: | Oxidative cyclizations in orthosomycin biosynthesis expand the known chemistry of an oxygenase superfamily. Proc.Natl.Acad.Sci.USA, 112, 2015
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4MSL
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![BU of 4msl by Molmil](/molmil-images/mine/4msl) | Crystal structure of the Vps10p domain of human sortilin/NTS3 in complex with AF40431 | Descriptor: | N-[(7-hydroxy-4-methyl-2-oxo-2H-chromen-8-yl)methyl]-L-leucine, Sortilin, TETRAETHYLENE GLYCOL, ... | Authors: | Andersen, J.L, Strandbygaard, D, Thirup, S. | Deposit date: | 2013-09-18 | Release date: | 2014-02-12 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Identification of the first small-molecule ligand of the neuronal receptor sortilin and structure determination of the receptor-ligand complex. Acta Crystallogr.,Sect.D, 70, 2014
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4MYY
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![BU of 4myy by Molmil](/molmil-images/mine/4myy) | |
4XYN
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![BU of 4xyn by Molmil](/molmil-images/mine/4xyn) | X-ray structure of Ca(2+)-S100B with human RAGE-derived W61 peptide | Descriptor: | CALCIUM ION, Protein S100-B, Receptor for advanced glycation endproducts-derived peptide (W61) | Authors: | Jensen, J.L, Indurthi, V.S.K, Neau, D, Vetter, S.W, Colbert, C.L. | Deposit date: | 2015-02-02 | Release date: | 2015-05-13 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Structural insights into the binding of the human receptor for advanced glycation end products (RAGE) by S100B, as revealed by an S100B-RAGE-derived peptide complex. Acta Crystallogr.,Sect.D, 71, 2015
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4XAA
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![BU of 4xaa by Molmil](/molmil-images/mine/4xaa) | Crystal Structure of AviO1 from Streptomyces viridochromogenes Tue57 | Descriptor: | NICKEL (II) ION, Putative oxygenase | Authors: | McCulloch, K.M, McCranie, E.K, Sarwar, M, Mathieu, J.L, Gitschlag, B.L, Du, Y, Bachmann, B.O, Iverson, T.M. | Deposit date: | 2014-12-13 | Release date: | 2015-08-05 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Oxidative cyclizations in orthosomycin biosynthesis expand the known chemistry of an oxygenase superfamily. Proc.Natl.Acad.Sci.USA, 112, 2015
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4XAB
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![BU of 4xab by Molmil](/molmil-images/mine/4xab) | Crystal Structure of EvdO2 from Micromonospora carbonacea var. aurantiaca | Descriptor: | EvdO2, IMIDAZOLE, NICKEL (II) ION | Authors: | McCulloch, K.M, McCranie, E.K, Sarwar, M, Mathieu, J.L, Gitschlag, B.L, Du, Y, Bachmann, B.O, Iverson, T.M. | Deposit date: | 2014-12-13 | Release date: | 2015-08-05 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Oxidative cyclizations in orthosomycin biosynthesis expand the known chemistry of an oxygenase superfamily. Proc.Natl.Acad.Sci.USA, 112, 2015
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