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6XRL
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BU of 6xrl by Molmil
Crystal structure of human PI3K-gamma in complex with inhibitor IPI-549
分子名称: 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
著者Walker, N.P, Jeffrey, J.L.
登録日2020-07-13
公開日2020-09-16
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.99 Å)
主引用文献Discovery of Potent and Selective PI3K gamma Inhibitors.
J.Med.Chem., 63, 2020
6XSB
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BU of 6xsb by Molmil
Crystal structure of Staphylococcal nuclease variant Delta+PHS A132S at cryogenic temperature
分子名称: CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease
著者Robinson, A.C, Schlessman, J.L, Garcia-Moreno E, B.
登録日2020-07-15
公開日2020-08-19
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystal structure of Staphylococcal nuclease variant Delta+PHS A132S at cryogenic temperature
To be Published
6XSF
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BU of 6xsf by Molmil
Crystal structure of Staphylococcal nuclease variant Delta+PHS T41V at cryogenic temperature
分子名称: THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease
著者Robinson, A.C, Schlessman, J.L, Garcia-Moreno E, B, Poblete, M.K.
登録日2020-07-15
公開日2020-08-19
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal structure of Staphylococcal nuclease variant Delta+PHS T41V at cryogenic temperature
To be Published
3KQM
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BU of 3kqm by Molmil
Crystal Structure of hPNMT in Complex AdoHcy and 4-Bromo-1H-imidazole
分子名称: 4-bromo-1H-imidazole, Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
著者Drinkwater, N, Martin, J.L.
登録日2009-11-17
公開日2010-09-29
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Fragment-based screening by X-ray crystallography, MS and isothermal titration calorimetry to identify PNMT (phenylethanolamine N-methyltransferase) inhibitors.
Biochem.J., 431, 2010
3KQS
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BU of 3kqs by Molmil
Crystal Structure of hPNMT in Complex AdoHcy and 2-Aminobenzimidazole
分子名称: 1H-benzimidazol-2-amine, Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
著者Drinkwater, N, Martin, J.L.
登録日2009-11-17
公開日2010-09-29
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.005 Å)
主引用文献Fragment-based screening by X-ray crystallography, MS and isothermal titration calorimetry to identify PNMT (phenylethanolamine N-methyltransferase) inhibitors.
Biochem.J., 431, 2010
6XH3
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BU of 6xh3 by Molmil
Co-crystal structure of HIV-1 TAR RNA in complex with lab-evolved RRM TBP6.3
分子名称: TAR BINDING PROTEIN TBP 6.3, TRANS-ACTIVATION RESPONSE ELEMENT
著者Chavali, S.S, Jenkins, J.L, Wedekind, J.E.
登録日2020-06-18
公開日2020-10-14
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.353 Å)
主引用文献Co-crystal structures of HIV TAR RNA bound to lab-evolved proteins show key roles for arginine relevant to the design of cyclic peptide TAR inhibitors.
J.Biol.Chem., 295, 2020
3KPJ
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BU of 3kpj by Molmil
Crystal Structure of hPNMT in Complex AdoHcy and Bound Phosphate
分子名称: PHOSPHATE ION, Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
著者Drinkwater, N, Martin, J.L.
登録日2009-11-16
公開日2010-09-29
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Fragment-based screening by X-ray crystallography, MS and isothermal titration calorimetry to identify PNMT (phenylethanolamine N-methyltransferase) inhibitors.
Biochem.J., 431, 2010
3KQW
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BU of 3kqw by Molmil
Crystal Structure of hPNMT in Complex AdoHcy and 5-Chlorobenzimidazole
分子名称: 5-chloro-1H-benzimidazole, Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
著者Drinkwater, N, Martin, J.L.
登録日2009-11-17
公開日2010-09-29
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.486 Å)
主引用文献Fragment-based screening by X-ray crystallography, MS and isothermal titration calorimetry to identify PNMT (phenylethanolamine N-methyltransferase) inhibitors.
Biochem.J., 431, 2010
3KPV
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BU of 3kpv by Molmil
Crystal Structure of hPNMT in Complex AdoHcy and Adenine
分子名称: ADENINE, Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
著者Drinkwater, N, Martin, J.L.
登録日2009-11-17
公開日2010-09-29
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Fragment-based screening by X-ray crystallography, MS and isothermal titration calorimetry to identify PNMT (phenylethanolamine N-methyltransferase) inhibitors.
Biochem.J., 431, 2010
3KQQ
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BU of 3kqq by Molmil
Crystal Structure of hPNMT in Complex AdoHcy and 2-Hydroxynicotinic acid
分子名称: 2-oxo-1,2-dihydropyridine-3-carboxylic acid, Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
著者Drinkwater, N, Martin, J.L.
登録日2009-11-17
公開日2010-09-29
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Fragment-based screening by X-ray crystallography, MS and isothermal titration calorimetry to identify PNMT (phenylethanolamine N-methyltransferase) inhibitors.
Biochem.J., 431, 2010
7SN6
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BU of 7sn6 by Molmil
U2AF65 UHM BOUND TO SF3B155 ULM5
分子名称: ISOPROPYL ALCOHOL, Splicing factor 3B subunit 1, Splicing factor U2AF 65 kDa subunit
著者Loerch, S, Jenkins, J.L, Kielkopf, C.L.
登録日2021-10-27
公開日2022-07-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A UHM-ULM interface with unusual structural features contributes to U2AF2 and SF3B1 association for pre-mRNA splicing.
J.Biol.Chem., 298, 2022
3KQY
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BU of 3kqy by Molmil
Crystal Structure of hPNMT in Complex AdoHcy and 2-amino-1H-benzo[d]imidazol-7-ol
分子名称: 2-amino-1H-benzimidazol-7-ol, Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
著者Drinkwater, N, Martin, J.L.
登録日2009-11-17
公開日2010-09-29
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Fragment-based screening by X-ray crystallography, MS and isothermal titration calorimetry to identify PNMT (phenylethanolamine N-methyltransferase) inhibitors.
Biochem.J., 431, 2010
3KQO
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BU of 3kqo by Molmil
Crystal Structure of hPNMT in Complex AdoHcy and 6-Chloropurine
分子名称: 6-chloro-9H-purine, Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
著者Drinkwater, N, Martin, J.L.
登録日2009-11-17
公開日2010-09-29
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Fragment-based screening by X-ray crystallography, MS and isothermal titration calorimetry to identify PNMT (phenylethanolamine N-methyltransferase) inhibitors.
Biochem.J., 431, 2010
3KR1
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BU of 3kr1 by Molmil
Crystal Structure of hPNMT in Complex AdoHcy and 5-chloro-1H-benzo[d]imidazol-2-amine
分子名称: 6-chloro-1H-benzimidazol-2-amine, Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
著者Drinkwater, N, Martin, J.L.
登録日2009-11-17
公開日2010-09-29
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Fragment-based screening by X-ray crystallography, MS and isothermal titration calorimetry to identify PNMT (phenylethanolamine N-methyltransferase) inhibitors.
Biochem.J., 431, 2010
7TAP
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BU of 7tap by Molmil
Cryo-EM structure of archazolid A bound to yeast VO V-ATPase
分子名称: Archazolid A, V-type proton ATPase subunit a, vacuolar isoform, ...
著者Keon, K.A, Rubinstein, J.L, Benlekbir, S, Kirsch, S.H, Muller, R.
登録日2021-12-21
公開日2022-02-23
最終更新日2022-03-30
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Cryo-EM of the Yeast V O Complex Reveals Distinct Binding Sites for Macrolide V-ATPase Inhibitors.
Acs Chem.Biol., 17, 2022
1HSA
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BU of 1hsa by Molmil
THE THREE-DIMENSIONAL STRUCTURE OF HLA-B27 AT 2.1 ANGSTROMS RESOLUTION SUGGESTS A GENERAL MECHANISM FOR TIGHT PEPTIDE BINDING TO MHC
分子名称: BETA 2-MICROGLOBULIN, CLASS I HISTOCOMPATIBILITY ANTIGEN (HLA-B*2705), MODEL PEPTIDE SEQUENCE - ARAAAAAAA
著者Madden, D.R, Gorga, J.C, Strominger, J.L, Wiley, D.C.
登録日1992-08-11
公開日1992-10-15
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献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
4MYZ
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BU of 4myz by Molmil
Structure of a class 2 docking domain complex from modules CurK and CurL of the curacin A polyketide synthase
分子名称: CurK, CurL fusion protein
著者Whicher, J.R, Smaga, S.S, Smith, J.L.
登録日2013-09-28
公開日2014-01-29
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Cyanobacterial polyketide synthase docking domains: a tool for engineering natural product biosynthesis.
Chem.Biol., 20, 2013
4XOU
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BU of 4xou by Molmil
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.
分子名称: CALCIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, POTASSIUM ION, ...
著者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.
登録日2015-01-16
公開日2015-06-10
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural studies of P-type ATPase-ligand complexes using an X-ray free-electron laser.
Iucrj, 2, 2015
4XAC
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BU of 4xac by Molmil
Crystal Structure of EvdO2 from Micromonospora carbonacea var. aurantiaca complexed with 2-oxoglutarate
分子名称: 2-OXOGLUTARIC ACID, EvdO2, IMIDAZOLE, ...
著者McCulloch, K.M, McCranie, E.K, Sarwar, M, Mathieu, J.L, Gitschlag, B.L, Du, Y, Bachmann, B.O, Iverson, T.M.
登録日2014-12-13
公開日2015-08-05
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Oxidative cyclizations in orthosomycin biosynthesis expand the known chemistry of an oxygenase superfamily.
Proc.Natl.Acad.Sci.USA, 112, 2015
4XCA
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BU of 4xca by Molmil
Crystal Structure of HygX from Streptomyces hygroscopicus with nickel and 2-oxoglutarate bound
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-OXOGLUTARIC ACID, CESIUM ION, ...
著者McCulloch, K.M, McCranie, E.K, Sarwar, M, Mathieu, J.L, Gitschlag, B.L, Du, Y, Bachmann, B.O, Iverson, T.M.
登録日2014-12-17
公開日2015-08-05
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.295 Å)
主引用文献Oxidative cyclizations in orthosomycin biosynthesis expand the known chemistry of an oxygenase superfamily.
Proc.Natl.Acad.Sci.USA, 112, 2015
4MSL
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BU of 4msl by Molmil
Crystal structure of the Vps10p domain of human sortilin/NTS3 in complex with AF40431
分子名称: N-[(7-hydroxy-4-methyl-2-oxo-2H-chromen-8-yl)methyl]-L-leucine, Sortilin, TETRAETHYLENE GLYCOL, ...
著者Andersen, J.L, Strandbygaard, D, Thirup, S.
登録日2013-09-18
公開日2014-02-12
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献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
4MYY
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BU of 4myy by Molmil
Structure of a class 2 docking domain complex from modules CurG and CurH of the curacin A polyketide synthase
分子名称: CurG, CurH fusion protein, SULFATE ION
著者Whicher, J.R, Smaga, S.S, Smith, J.L.
登録日2013-09-28
公開日2014-01-29
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Cyanobacterial polyketide synthase docking domains: a tool for engineering natural product biosynthesis.
Chem.Biol., 20, 2013
4XYN
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BU of 4xyn by Molmil
X-ray structure of Ca(2+)-S100B with human RAGE-derived W61 peptide
分子名称: CALCIUM ION, Protein S100-B, Receptor for advanced glycation endproducts-derived peptide (W61)
著者Jensen, J.L, Indurthi, V.S.K, Neau, D, Vetter, S.W, Colbert, C.L.
登録日2015-02-02
公開日2015-05-13
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献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
4XAA
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BU of 4xaa by Molmil
Crystal Structure of AviO1 from Streptomyces viridochromogenes Tue57
分子名称: NICKEL (II) ION, Putative oxygenase
著者McCulloch, K.M, McCranie, E.K, Sarwar, M, Mathieu, J.L, Gitschlag, B.L, Du, Y, Bachmann, B.O, Iverson, T.M.
登録日2014-12-13
公開日2015-08-05
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Oxidative cyclizations in orthosomycin biosynthesis expand the known chemistry of an oxygenase superfamily.
Proc.Natl.Acad.Sci.USA, 112, 2015
4XAB
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BU of 4xab by Molmil
Crystal Structure of EvdO2 from Micromonospora carbonacea var. aurantiaca
分子名称: EvdO2, IMIDAZOLE, NICKEL (II) ION
著者McCulloch, K.M, McCranie, E.K, Sarwar, M, Mathieu, J.L, Gitschlag, B.L, Du, Y, Bachmann, B.O, Iverson, T.M.
登録日2014-12-13
公開日2015-08-05
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Oxidative cyclizations in orthosomycin biosynthesis expand the known chemistry of an oxygenase superfamily.
Proc.Natl.Acad.Sci.USA, 112, 2015

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