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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
Descriptor: CHLORIDE ION, Nalpha-(methoxycarbonyl)-N-{3-[(2R)-morpholin-2-yl]propyl}-beta-phenyl-L-phenylalaninamide, Protease
Authors:Su, H.P.
Deposit date:2016-03-21
Release date:2016-05-18
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.57 Å)
Cite: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
Descriptor: Alpha-mannosidase,Alpha-mannosidase,Alpha-mannosidase
Authors:Schneider, S, Kosinski, J, Jakobi, A.J, Hagen, W.J.H, Sachse, C.
Deposit date:2016-04-28
Release date:2016-06-15
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (6.3 Å)
Cite: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
Descriptor: Plectin,Plectin
Authors:Ortega, E, DE PEREDA, J.M.
Deposit date:2016-03-29
Release date:2016-07-20
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.8 Å)
Cite: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
Descriptor: Plectin
Authors:Ortega, E, DE PEREDA, J.M.
Deposit date:2016-03-29
Release date:2016-07-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.801 Å)
Cite: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
Descriptor: Beta-2-microglobulin, H-2 class I histocompatibility antigen, Q10 alpha chain, ...
Authors:Berry, R, Rossjohn, J.
Deposit date:2016-04-05
Release date:2016-07-13
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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
Descriptor: CALCIUM ION, Choline binding protein
Authors:Pantoja-Uceda, D, Trevino, M.A, Bruix, M.
Deposit date:2016-04-08
Release date:2017-05-10
Last modified:2019-10-23
Method:SOLUTION NMR
Cite: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
Descriptor: 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
Authors:Sack, J.S.
Deposit date:2007-06-20
Release date:2007-08-21
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.7 Å)
Cite: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
Descriptor: Putative cell surface protein, similar to internalin proteins
Authors: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)
Deposit date:2016-07-25
Release date:2017-07-26
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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
Descriptor: (2R)-2,3-diphosphoglyceric acid, (2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, Hemoglobin subunit alpha, ...
Authors:Ahmed, M.H, Safo, M.K, Xia, Y.
Deposit date:2016-07-08
Release date:2017-07-26
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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)
Descriptor: Avidin-related protein 4/5, FORMIC ACID
Authors:Livnah, O, Hayouka, R, Eisenberg-Domovich, Y.
Deposit date:2007-01-03
Release date:2007-12-25
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.35 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, 5'-O-[N-(DEHYDROLUCIFERYL)-SULFAMOYL] ADENOSINE, Luciferin 4-monooxygenase
Authors:Gulick, A.M.
Deposit date:2016-07-22
Release date:2016-12-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.001 Å)
Cite: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
Descriptor: HEN EGG WHITE LYSOZYME
Authors:Dewan, J.C, Young, A.C.M, Tilton, R.F.
Deposit date:1992-03-20
Release date:1993-10-31
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite: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
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, ETHYLISOTHIOUREA, PROTEIN (NITRIC OXIDE SYNTHASE), ...
Authors:Li, H, Raman, C.S, Glaser, C.B, Blasko, E, Young, T.A, Parkinson, J.F, Whitlow, M, Poulos, T.L.
Deposit date:1999-01-11
Release date:2000-01-07
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (3 Å)
Cite: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
Descriptor: High-affinity zinc uptake system protein znuA, ISOPROPYL ALCOHOL, ZINC ION
Authors:Yatsunyk, L.A, Kim, L.R, Vorontsov, I.I, Rosenzweig, A.C.
Deposit date:2007-05-04
Release date:2007-06-05
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.7 Å)
Cite: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
Descriptor: MAGNESIUM ION, Mandelate racemase/muconate lactonizing enzyme
Authors: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)
Deposit date:2007-04-23
Release date:2007-05-08
Last modified:2021-02-03
Method:X-RAY DIFFRACTION (1.72 Å)
Cite: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
Descriptor: COBALT (II) ION, High-affinity zinc uptake system protein znuA
Authors:Yatsunyk, L.A, Kim, L.R, Vorontsov, I.I, Rosenzweig, A.C.
Deposit date:2007-05-04
Release date:2007-06-05
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.15 Å)
Cite: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
Descriptor: (3AS,4R,9BR)-2,2-DIFLUORO-4-(4-HYDROXYPHENYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-8-OL, Estrogen receptor
Authors:Wang, Y.
Deposit date:2007-06-05
Release date:2007-08-07
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.95 Å)
Cite: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
Descriptor: Cytochrome c-type protein nrfB, HEME C
Authors:Clarke, T.A, Richardson, D.J, Hemmings, A.M.
Deposit date:2007-02-28
Release date:2007-08-07
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.74 Å)
Cite: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
Descriptor: Serine protease inhibitor
Authors:Zhang, Q.W, Buckle, A.M, Whisstock, J.C.
Deposit date:2007-04-03
Release date:2007-06-19
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.6 Å)
Cite: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
Descriptor: 4-(2-amino-1-methyl-1H-imidazo[4,5-b]pyridin-6-yl)phenol, Estrogen receptor, Nuclear receptor coactivator 2
Authors:Nettles, K.W, Bruning, J.B.
Deposit date:2007-07-30
Release date:2008-03-18
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.85 Å)
Cite: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
Descriptor: ENDOTHIAPEPSIN, PEPSTATIN, SULFATE ION
Authors:Bailey, D, Veerapandian, B, Cooper, J.B, Blundell, T.L.
Deposit date:1990-10-20
Release date:1991-01-15
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
Descriptor: Estrogen receptor, RALOXIFENE
Authors:Bruning, J.B, Gil, G, Nowak, J, Katzenellenbogen, J, Nettles, K.W.
Deposit date:2007-08-12
Release date:2008-09-02
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite: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
Descriptor: FE (II) ION, Hypothetical protein Ta0289
Authors:Singer, A.U, Proudfoot, M, Brown, G, Xu, L, Savchenko, A, Yakunin, A.F, Midwest Center for Structural Genomics (MCSG)
Deposit date:2007-06-29
Release date:2008-02-19
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite: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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BU of 2qr9 by Molmil
Crystal Structure of the Estrogen Receptor Alpha Ligand Binding Domain Complexed with an Oxabicyclic Derivative Compound
Descriptor: 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
Authors:Nettles, K.W, Bruning, J.B.
Deposit date:2007-07-27
Release date:2008-03-18
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
Descriptor: 4-[1-allyl-7-(trifluoromethyl)-1H-indazol-3-yl]benzene-1,3-diol, Estrogen receptor, Nuclear receptor coactivator 2
Authors:Bruning, J.B, Gil, G, Nowak, J, Katzenellenbogen, J, Nettles, K.W.
Deposit date:2007-08-16
Release date:2008-08-26
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Coupling of receptor conformation and ligand orientation determine graded activity.
Nat.Chem.Biol., 6, 2010

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