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5IVQ
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BU of 5ivq by Molmil
Crystal Structure of HIV Protease complexed with methyl N-[(1S)-1-benzhydryl-2-(3-morpholin-4-ium-2-ylpropylamino)-2-oxo-ethyl]carbamate
分子名称: CHLORIDE ION, Nalpha-(methoxycarbonyl)-N-{3-[(2R)-morpholin-2-yl]propyl}-beta-phenyl-L-phenylalaninamide, Protease
著者Su, H.P.
登録日2016-03-21
公開日2016-05-18
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Discovery of MK-8718, an HIV Protease Inhibitor Containing a Novel Morpholine Aspartate Binding Group.
Acs Med.Chem.Lett., 7, 2016
5JM0
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BU of 5jm0 by Molmil
Structure of the S. cerevisiae alpha-mannosidase 1
分子名称: Alpha-mannosidase,Alpha-mannosidase,Alpha-mannosidase
著者Schneider, S, Kosinski, J, Jakobi, A.J, Hagen, W.J.H, Sachse, C.
登録日2016-04-28
公開日2016-06-15
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (6.3 Å)
主引用文献Higher-order assemblies of oligomeric cargo receptor complexes form the membrane scaffold of the Cvt vesicle.
Embo Rep., 17, 2016
5J1H
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BU of 5j1h by Molmil
Structure of the spectrin repeats 5 and 6 of the plakin domain of plectin
分子名称: Plectin,Plectin
著者Ortega, E, DE PEREDA, J.M.
登録日2016-03-29
公開日2016-07-20
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献The Structure of the Plakin Domain of Plectin Reveals an Extended Rod-like Shape.
J.Biol.Chem., 291, 2016
5J1I
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BU of 5j1i by Molmil
Structure of the spectrin repeats 7, 8, and 9 of the plakin domain of plectin
分子名称: Plectin
著者Ortega, E, DE PEREDA, J.M.
登録日2016-03-29
公開日2016-07-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.801 Å)
主引用文献The Structure of the Plakin Domain of Plectin Reveals an Extended Rod-like Shape.
J.Biol.Chem., 291, 2016
5J6H
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BU of 5j6h by Molmil
Recognition of the MHC class Ib molecule H2-Q10 by the natural killer cell receptor Ly49C
分子名称: Beta-2-microglobulin, H-2 class I histocompatibility antigen, Q10 alpha chain, ...
著者Berry, R, Rossjohn, J.
登録日2016-04-05
公開日2016-07-13
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Recognition of the Major Histocompatibility Complex (MHC) Class Ib Molecule H2-Q10 by the Natural Killer Cell Receptor Ly49C.
J.Biol.Chem., 291, 2016
5J8T
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BU of 5j8t by Molmil
NMR structure of Excalibur domain of CbpL
分子名称: CALCIUM ION, Choline binding protein
著者Pantoja-Uceda, D, Trevino, M.A, Bruix, M.
登録日2016-04-08
公開日2017-05-10
最終更新日2019-10-23
実験手法SOLUTION NMR
主引用文献Molecular Choline-bindind Protein L Involved in Pneumococcal Adhesion and Virulence through Exposed Excalibur domanin
To Be Published
2QD9
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BU of 2qd9 by Molmil
P38 Alpha Map Kinase inhibitor based on heterobicyclic scaffolds
分子名称: 1-[5-[[3-[2,4-bis(fluoranyl)phenyl]-6,8-dihydro-5~{H}-imidazo[1,5-a]pyrazin-7-yl]carbonyl]-6-methoxy-1~{H}-pyrrolo[2,3-b]pyridin-3-yl]-2-[(3~{R})-3-oxidanylpyrrolidin-1-yl]ethane-1,2-dione, Mitogen-activated protein kinase 14
著者Sack, J.S.
登録日2007-06-20
公開日2007-08-21
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Synthesis and SAR of p38alpha MAP kinase inhibitors based on heterobicyclic scaffolds.
Bioorg.Med.Chem.Lett., 17, 2007
5KZS
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BU of 5kzs by Molmil
Listeria monocytogenes internalin-like protein lmo2027
分子名称: Putative cell surface protein, similar to internalin proteins
著者Light, S.H, Nocadello, S, Minasov, G, Cardona-Correa, A, Kwon, K, Faralla, C, Bakardjiev, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2016-07-25
公開日2017-07-26
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Listeria monocytogenes InlP interacts with afadin and facilitates basement membrane crossing.
Plos Pathog., 14, 2018
5KSI
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BU of 5ksi by Molmil
Crystal structure of deoxygenated hemoglobin in complex with sphingosine phosphate and 2,3-Bisphosphoglycerate
分子名称: (2R)-2,3-diphosphoglyceric acid, (2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, Hemoglobin subunit alpha, ...
著者Ahmed, M.H, Safo, M.K, Xia, Y.
登録日2016-07-08
公開日2017-07-26
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural and Functional Insight of Sphingosine 1-Phosphate-Mediated Pathogenic Metabolic Reprogramming in Sickle Cell Disease.
Sci Rep, 7, 2017
2OF9
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BU of 2of9 by Molmil
Crystal structure of apo AVR4 (D39A/C122S)
分子名称: Avidin-related protein 4/5, FORMIC ACID
著者Livnah, O, Hayouka, R, Eisenberg-Domovich, Y.
登録日2007-01-03
公開日2007-12-25
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Critical importance of loop conformation to avidin-enhanced hydrolysis of an active biotin ester.
Acta Crystallogr.,Sect.D, 64, 2008
5KYT
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BU of 5kyt by Molmil
Structure of Photinus pyralis Luciferase red light emitting variant
分子名称: 1,2-ETHANEDIOL, 5'-O-[N-(DEHYDROLUCIFERYL)-SULFAMOYL] ADENOSINE, Luciferin 4-monooxygenase
著者Gulick, A.M.
登録日2016-07-22
公開日2016-12-21
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.001 Å)
主引用文献Cloning of the Orange Light-Producing Luciferase from Photinus scintillans-A New Proposal on how Bioluminescence Color is Determined.
Photochem. Photobiol., 93, 2017
6LYT
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BU of 6lyt by Molmil
COMPARISON OF RADIATION-INDUCED DECAY AND STRUCTURE REFINEMENT FROM X-RAY DATA COLLECTED FROM LYSOZYME CRYSTALS AT LOW AND AMBIENT TEMPERATURES
分子名称: HEN EGG WHITE LYSOZYME
著者Dewan, J.C, Young, A.C.M, Tilton, R.F.
登録日1992-03-20
公開日1993-10-31
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Comparison of Radiation-Induced Decay and Structure Refinement from X-Ray Data Collected from Lysozyme Crystals at Low and Ambient Temperatures
J.Appl.Crystallogr., 26, 1993
2NSI
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BU of 2nsi by Molmil
HUMAN INDUCIBLE NITRIC OXIDE SYNTHASE, ZN-FREE, SEITU COMPLEX
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, ETHYLISOTHIOUREA, PROTEIN (NITRIC OXIDE SYNTHASE), ...
著者Li, H, Raman, C.S, Glaser, C.B, Blasko, E, Young, T.A, Parkinson, J.F, Whitlow, M, Poulos, T.L.
登録日1999-01-11
公開日2000-01-07
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystal structures of zinc-free and -bound heme domain of human inducible nitric-oxide synthase. Implications for dimer stability and comparison with endothelial nitric-oxide synthase.
J.Biol.Chem., 274, 1999
2PRS
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BU of 2prs by Molmil
Structure and metal binding properties of ZnuA, a periplasmic zinc transporter from Escherichia coli
分子名称: High-affinity zinc uptake system protein znuA, ISOPROPYL ALCOHOL, ZINC ION
著者Yatsunyk, L.A, Kim, L.R, Vorontsov, I.I, Rosenzweig, A.C.
登録日2007-05-04
公開日2007-06-05
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure and metal binding properties of ZnuA, a periplasmic zinc transporter from Escherichia coli.
J.Biol.Inorg.Chem., 13, 2008
2PMQ
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BU of 2pmq by Molmil
Crystal structure of a mandelate racemase/muconate lactonizing enzyme from Roseovarius sp. HTCC2601
分子名称: MAGNESIUM ION, Mandelate racemase/muconate lactonizing enzyme
著者Bonanno, J.B, Rutter, M, Bain, K.T, Lau, C, Sridhar, V, Smith, D, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2007-04-23
公開日2007-05-08
最終更新日2021-02-03
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Discovery of new enzymes and metabolic pathways by using structure and genome context.
Nature, 502, 2013
2PS9
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BU of 2ps9 by Molmil
Structure and metal binding properties of ZnuA, a periplasmic zinc transporter from Escherichia coli
分子名称: COBALT (II) ION, High-affinity zinc uptake system protein znuA
著者Yatsunyk, L.A, Kim, L.R, Vorontsov, I.I, Rosenzweig, A.C.
登録日2007-05-04
公開日2007-06-05
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structure and metal binding properties of ZnuA, a periplasmic zinc transporter from Escherichia coli.
J.Biol.Inorg.Chem., 13, 2008
2Q70
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BU of 2q70 by Molmil
Estrogen receptor alpha ligand-binding domain complxed to a benzopyran ligand
分子名称: (3AS,4R,9BR)-2,2-DIFLUORO-4-(4-HYDROXYPHENYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-8-OL, Estrogen receptor
著者Wang, Y.
登録日2007-06-05
公開日2007-08-07
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Benzopyrans as selective estrogen receptor beta agonists (SERBAs). Part 3: synthesis of cyclopentanone and cyclohexanone intermediates for C-ring modification.
Bioorg.Med.Chem.Lett., 17, 2007
2P0B
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BU of 2p0b by Molmil
Crystal structure of chemically-reduced E.coli nrfB
分子名称: Cytochrome c-type protein nrfB, HEME C
著者Clarke, T.A, Richardson, D.J, Hemmings, A.M.
登録日2007-02-28
公開日2007-08-07
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献The crystal structure of the pentahaem c-type cytochrome NrfB and characterization of its solution-state interaction with the pentahaem nitrite reductase NrfA.
Biochem.J., 406, 2007
2PEF
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BU of 2pef by Molmil
Crystal Structure of a Thermophilic Serpin, Tengpin, in the Latent State
分子名称: Serine protease inhibitor
著者Zhang, Q.W, Buckle, A.M, Whisstock, J.C.
登録日2007-04-03
公開日2007-06-19
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献The N terminus of the serpin, tengpin, functions to trap the metastable native state.
Embo Rep., 8, 2007
2QSE
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BU of 2qse by Molmil
Crystal Structure of the Estrogen Receptor Alpha Ligand Binding Domain complexed with Burned Meat Compound 4-OH-PhIP
分子名称: 4-(2-amino-1-methyl-1H-imidazo[4,5-b]pyridin-6-yl)phenol, Estrogen receptor, Nuclear receptor coactivator 2
著者Nettles, K.W, Bruning, J.B.
登録日2007-07-30
公開日2008-03-18
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献NFkappaB selectivity of estrogen receptor ligands revealed by comparative crystallographic analyses
Nat.Chem.Biol., 4, 2008
4ER2
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BU of 4er2 by Molmil
The active site of aspartic proteinases
分子名称: ENDOTHIAPEPSIN, PEPSTATIN, SULFATE ION
著者Bailey, D, Veerapandian, B, Cooper, J.B, Blundell, T.L.
登録日1990-10-20
公開日1991-01-15
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The active site of aspartic proteinases
FEBS Lett., 174, 1984
2QXS
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BU of 2qxs by Molmil
Crystal Structure of Antagonizing Mutant 536S of the Estrogen Receptor Alpha Ligand Binding Domain Complexed to Raloxifene
分子名称: Estrogen receptor, RALOXIFENE
著者Bruning, J.B, Gil, G, Nowak, J, Katzenellenbogen, J, Nettles, K.W.
登録日2007-08-12
公開日2008-09-02
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Coupling of receptor conformation and ligand orientation determine graded activity.
Nat.Chem.Biol., 6, 2010
2QH1
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BU of 2qh1 by Molmil
Structure of TA289, a CBS-rubredoxin-like protein, in its Fe+2-bound state
分子名称: FE (II) ION, Hypothetical protein Ta0289
著者Singer, A.U, Proudfoot, M, Brown, G, Xu, L, Savchenko, A, Yakunin, A.F, Midwest Center for Structural Genomics (MCSG)
登録日2007-06-29
公開日2008-02-19
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Biochemical and structural characterization of a novel family of cystathionine beta-synthase domain proteins fused to a Zn ribbon-like domain.
J.Mol.Biol., 375, 2008
2QR9
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Crystal Structure of the Estrogen Receptor Alpha Ligand Binding Domain Complexed with an Oxabicyclic Derivative Compound
分子名称: Estrogen receptor, Nuclear receptor coactivator 2, dimethyl (1R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate
著者Nettles, K.W, Bruning, J.B.
登録日2007-07-27
公開日2008-03-18
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献NFkappaB selectivity of estrogen receptor ligands revealed by comparative crystallographic analyses
Nat.Chem.Biol., 4, 2008
2QZO
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BU of 2qzo by Molmil
Crystal Structure of the Estrogen Receptor Alpha Ligand Binding Domain Complexed with WAY-169916
分子名称: 4-[1-allyl-7-(trifluoromethyl)-1H-indazol-3-yl]benzene-1,3-diol, Estrogen receptor, Nuclear receptor coactivator 2
著者Bruning, J.B, Gil, G, Nowak, J, Katzenellenbogen, J, Nettles, K.W.
登録日2007-08-16
公開日2008-08-26
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Coupling of receptor conformation and ligand orientation determine graded activity.
Nat.Chem.Biol., 6, 2010

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