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3S5O
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BU of 3s5o by Molmil
Crystal Structure of Human 4-hydroxy-2-oxoglutarate Aldolase Bound to Pyruvate
Descriptor: 1,2-ETHANEDIOL, 4-hydroxy-2-oxoglutarate aldolase, mitochondrial, ...
Authors:Riedel, T.J, Lowther, W.T.
Deposit date:2011-05-23
Release date:2011-10-26
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Structural and Biochemical Studies of Human 4-hydroxy-2-oxoglutarate Aldolase: Implications for Hydroxyproline Metabolism in Primary Hyperoxaluria.
Plos One, 6, 2011
4PPA
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BU of 4ppa by Molmil
ITK kinase domain with compound 11 (N-[1-(3-CYANOBENZYL)-1H-PYRAZOL-4-YL]-6-(1H-PYRAZOL-4-YL)-1H-INDAZOLE-3-CARBOXAMIDE)
Descriptor: N-[1-(3-cyanobenzyl)-1H-pyrazol-4-yl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide, Tyrosine-protein kinase ITK/TSK
Authors:Eigenbrot, C, Shia, S.
Deposit date:2014-02-26
Release date:2014-06-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.67 Å)
Cite:Discovery and optimization of indazoles as potent and selective interleukin-2 inducible T cell kinase (ITK) inhibitors.
Bioorg.Med.Chem.Lett., 24, 2014
1D1Z
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BU of 1d1z by Molmil
CRYSTAL STRUCTURE OF THE XLP PROTEIN SAP
Descriptor: SAP SH2 DOMAIN, SULFATE ION
Authors:Poy, F, Yaffe, M.B, Sayos, J, Saxena, K, Eck, M.J.
Deposit date:1999-09-22
Release date:1999-10-13
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Crystal structures of the XLP protein SAP reveal a class of SH2 domains with extended, phosphotyrosine-independent sequence recognition.
Mol.Cell, 4, 1999
4QKO
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BU of 4qko by Molmil
The Crystal Structure of the Pyocin S2 Nuclease Domain, Immunity Protein Complex at 1.8 Angstroms
Descriptor: BROMIDE ION, MAGNESIUM ION, Pyocin-S2, ...
Authors:Grinter, R, Josts, I, Roszak, A.W, Cogdell, C.J, Walker, D.
Deposit date:2014-06-07
Release date:2015-06-10
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural Insights into pyocin S2
To be Published
1D4T
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BU of 1d4t by Molmil
CRYSTAL STRUCTURE OF THE XLP PROTEIN SAP IN COMPLEX WITH A SLAM PEPTIDE
Descriptor: SIGNALING LYMPHOCYTIC ACTIVATION MOLECULE, T CELL SIGNAL TRANSDUCTION MOLECULE SAP
Authors:Poy, F, Yaffe, M.B, Sayos, J, Saxena, K, Eck, M.J.
Deposit date:1999-10-06
Release date:1999-10-14
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Crystal structures of the XLP protein SAP reveal a class of SH2 domains with extended, phosphotyrosine-independent sequence recognition.
Mol.Cell, 4, 1999
3D2R
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BU of 3d2r by Molmil
Crystal structure of pyruvate dehydrogenase kinase isoform 4 in complex with ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ...
Authors:Kato, M, Wynn, R.M, Chuang, L.C, Tso, S.-C, Li, J, Chuang, D.T.
Deposit date:2008-05-08
Release date:2008-08-05
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Pyruvate Dehydrogenase Kinase-4 Structures Reveal a Metastable Open Conformation Fostering Robust Core-free Basal Activity.
J.Biol.Chem., 283, 2008
1D4W
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BU of 1d4w by Molmil
CRYSTAL STRUCTURE OF THE XLP PROTEIN SAP IN COMPLEX WITH SLAM PHOSPHOPEPTIDE
Descriptor: SIGNALING LYMPHOCYTIC ACTIVATION MOLECULE, T CELL SIGNAL TRANSDUCTION MOLECULE SAP
Authors:Poy, F, Yaffe, M.B, Sayos, J, Saxena, K, Eck, M.J.
Deposit date:1999-10-06
Release date:1999-10-14
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structures of the XLP protein SAP reveal a class of SH2 domains with extended, phosphotyrosine-independent sequence recognition.
Mol.Cell, 4, 1999
3RO4
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BU of 3ro4 by Molmil
X-ray Structure of Ketohexokinase in complex with an indazole compound derivative
Descriptor: 3-ethyl-6-[(3aR,6aS)-hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-1-phenyl-1H-indazole, Ketohexokinase, SULFATE ION
Authors:Abad, M.C, Gibbs, A.C.
Deposit date:2011-04-25
Release date:2011-08-03
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Optimization of a pyrazole hit from FBDD into a novel series of indazoles as ketohexokinase inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011
6XGV
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BU of 6xgv by Molmil
Crystal Structure of KRAS-G13D (GMPPNP-bound) in complex with RAS-binding domain (RBD) and cysteine-rich domain (CRD) of RAF1/CRAF
Descriptor: CHLORIDE ION, GLYCEROL, GTPase KRas, ...
Authors:Tran, T.H, Chan, A.H, Dharmaiah, S, Simanshu, D.K.
Deposit date:2020-06-18
Release date:2021-01-13
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:KRAS interaction with RAF1 RAS-binding domain and cysteine-rich domain provides insights into RAS-mediated RAF activation.
Nat Commun, 12, 2021
6XHA
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BU of 6xha by Molmil
Crystal Structure of KRAS-G12V (GMPPNP-bound) in complex with RAS-binding domain (RBD) and cysteine-rich domain (CRD) of RAF1/CRAF
Descriptor: CHLORIDE ION, GLYCEROL, Isoform 2B of GTPase KRas, ...
Authors:Tran, T.H, Chan, A.H, Dharmaiah, S, Simanshu, D.K.
Deposit date:2020-06-18
Release date:2021-01-13
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.87 Å)
Cite:KRAS interaction with RAF1 RAS-binding domain and cysteine-rich domain provides insights into RAS-mediated RAF activation.
Nat Commun, 12, 2021
6XGU
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BU of 6xgu by Molmil
Crystal Structure of KRAS-Q61R (GMPPNP-bound) in complex with RAS-binding domain (RBD) and cysteine-rich domain (CRD) of RAF1/CRAF
Descriptor: GLYCEROL, GTPase KRas, MAGNESIUM ION, ...
Authors:Tran, T.H, Chan, A.H, Dharmaiah, S, Simanshu, D.K.
Deposit date:2020-06-18
Release date:2021-01-13
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:KRAS interaction with RAF1 RAS-binding domain and cysteine-rich domain provides insights into RAS-mediated RAF activation.
Nat Commun, 12, 2021
3RUG
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BU of 3rug by Molmil
Crystal structure of Valpha10-Vbeta8.1 NKT TCR in complex with CD1d-alphaglucosylceramide (C20:2)
Descriptor: (11E,14E)-N-[(2S,3S,4R)-1-(alpha-D-glucopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]icosa-11,14-dienamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Patel, O, Rossjohn, J.
Deposit date:2011-05-05
Release date:2011-08-03
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:A semi-invariant V(alpha)10(+) T cell antigen receptor defines a population of natural killer T cells with distinct glycolipid antigen-recognition properties
Nat.Immunol., 12, 2011
1D7X
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BU of 1d7x by Molmil
CRYSTAL STRUCTURE OF MMP3 COMPLEXED WITH A MODIFIED PROLINE SCAFFOLD BASED INHIBITOR.
Descriptor: CALCIUM ION, N-HYDROXY 1N(4-METHOXYPHENYL)SULFONYL-4-(Z,E-N-METHOXYIMINO)PYRROLIDINE-2R-CARBOXAMIDE, STROMELYSIN-1 PRECURSOR, ...
Authors:Cheng, M.Y, Natchus, M.G, De, B, Almstead, N.G, Pikul, S.
Deposit date:1999-10-20
Release date:2000-10-23
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Design, synthesis, and biological evaluation of matrix metalloproteinase inhibitors derived from a modified proline scaffold.
J.Med.Chem., 42, 1999
1COE
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BU of 1coe by Molmil
SOLUTION CONFORMATION OF COBROTOXIN: A NUCLEAR MAGNETIC RESONANCE AND HYBRID DISTANCE GEOMETRY-DYNAMICAL SIMULATED ANNEALING STUDY
Descriptor: COBROTOXIN
Authors:Yu, C, Bhaskaran, R, Yang, C.C.
Deposit date:1994-05-11
Release date:1995-01-26
Last modified:2024-10-16
Method:SOLUTION NMR
Cite:Solution conformation of cobrotoxin: a nuclear magnetic resonance and hybrid distance geometry-dynamical simulated annealing study.
Biochemistry, 32, 1993
8TC9
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BU of 8tc9 by Molmil
Human asparaginyl-tRNA synthetase bound to OSM-S-106
Descriptor: Asparagine--tRNA ligase, cytoplasmic, GLYCEROL, ...
Authors:Dogovski, C, Metcalfe, R.D, Xie, S.C, Morton, C.J, Tilley, L, Griffin, M.D.W.
Deposit date:2023-06-30
Release date:2024-02-07
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:Reaction hijacking inhibition of Plasmodium falciparum asparagine tRNA synthetase.
Nat Commun, 15, 2024
8TC8
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BU of 8tc8 by Molmil
Human asparaginyl-tRNA synthetase bound to adenosine 5'-sulfamate
Descriptor: 5'-O-[N-(L-ASPARAGINYL)SULFAMOYL]ADENOSINE, Asparagine--tRNA ligase, cytoplasmic, ...
Authors:Dogovski, C, Metcalfe, R.D, Xie, S.C, Morton, C.J, Tilley, L, Griffin, M.D.W.
Deposit date:2023-06-30
Release date:2024-02-07
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Reaction hijacking inhibition of Plasmodium falciparum asparagine tRNA synthetase.
Nat Commun, 15, 2024
8TC7
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BU of 8tc7 by Molmil
Human asparaginyl-tRNA synthetase, apo form
Descriptor: Asparagine--tRNA ligase, cytoplasmic, CHLORIDE ION, ...
Authors:Dogovski, C, Metcalfe, R.D, Xie, S.C, Morton, C.J, Tilley, L, Griffin, M.D.W.
Deposit date:2023-06-30
Release date:2024-02-07
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Reaction hijacking inhibition of Plasmodium falciparum asparagine tRNA synthetase.
Nat Commun, 15, 2024
1COD
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BU of 1cod by Molmil
SOLUTION CONFORMATION OF COBROTOXIN: A NUCLEAR MAGNETIC RESONANCE AND HYBRID DISTANCE GEOMETRY-DYNAMICAL SIMULATED ANNEALING STUDY
Descriptor: COBROTOXIN
Authors:Yu, C, Bhaskaran, R, Yang, C.C.
Deposit date:1994-05-11
Release date:1995-01-26
Last modified:2024-11-06
Method:SOLUTION NMR
Cite:Solution conformation of cobrotoxin: a nuclear magnetic resonance and hybrid distance geometry-dynamical simulated annealing study.
Biochemistry, 32, 1993
8TUB
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BU of 8tub by Molmil
HLA B7:02 with HPNGYKSLSTL
Descriptor: 1,2-ETHANEDIOL, Beta-2-microglobulin, DI(HYDROXYETHYL)ETHER, ...
Authors:Littler, D.R, Rossjohn, J, Chaurasia, P, Petersen, J.
Deposit date:2023-08-16
Release date:2024-03-13
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:CD8 + T-cell responses towards conserved influenza B virus epitopes across anatomical sites and age.
Nat Commun, 15, 2024
8TUH
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BU of 8tuh by Molmil
HLA B7:02 with RPIIRPATL
Descriptor: 1,2-ETHANEDIOL, ARG-PRO-ILE-ILE-ARG-PRO-ALA-THR-LEU, Beta-2-microglobulin, ...
Authors:Littler, D.R, Rossjohn, J, Chaurasia, P, Petersen, J.
Deposit date:2023-08-16
Release date:2024-03-13
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.200106 Å)
Cite:CD8 + T-cell responses towards conserved influenza B virus epitopes across anatomical sites and age.
Nat Commun, 15, 2024
8TWQ
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BU of 8twq by Molmil
Structure of bacteriophage lambda RexA protein
Descriptor: CADMIUM ION, Protein rexA, SULFATE ION
Authors:Adams, M.C, Chappie, J.S, Schiltz, C.J.
Deposit date:2023-08-21
Release date:2024-04-17
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:The crystal structure of bacteriophage lambda RexA provides novel insights into the DNA binding properties of Rex-like phage exclusion proteins.
Nucleic Acids Res., 52, 2024
3POV
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BU of 3pov by Molmil
Crystal structure of a SOX-DNA complex
Descriptor: DNA (5'-D(*GP*GP*GP*AP*TP*CP*CP*TP*CP*CP*CP*AP*GP*TP*CP*GP*AP*CP*C)-3'), DNA (5'-D(*GP*GP*TP*CP*GP*AP*CP*TP*AP*GP*GP*AP*GP*GP*AP*TP*CP*CP*C)-3'), FORMIC ACID, ...
Authors:Bagneris, C, Barrett, T.E.
Deposit date:2010-11-23
Release date:2011-09-21
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of a KSHV-SOX-DNA complex: insights into the molecular mechanisms underlying DNase activity and host shutoff
Nucleic Acids Res., 39, 2011
1D6B
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BU of 1d6b by Molmil
SOLUTION STRUCTURE OF DEFENSIN-LIKE PEPTIDE-2 (DLP-2) FROM PLATYPUS VENOM
Descriptor: DEFENSIN-LIKE PEPTIDE-2
Authors:Torres, A.M, De Plater, G.M, Doverskog, M, C Birinyi-Strachan, L, Nicholson, G.M, Gallagher, C.H, Kuchel, P.W.
Deposit date:1999-10-12
Release date:2000-06-21
Last modified:2024-10-30
Method:SOLUTION NMR
Cite:Defensin-like peptide-2 from platypus venom: member of a class of peptides with a distinct structural fold.
Biochem.J., 348, 2000
4RHP
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BU of 4rhp by Molmil
Crystal structure of human COQ9 in complex with a phospholipid, Northeast Structural Genomics Consortium Target HR5043
Descriptor: DI-PALMITOYL-3-SN-PHOSPHATIDYLETHANOLAMINE, Ubiquinone biosynthesis protein COQ9, mitochondrial
Authors:Forouhar, F, Lew, S, Seetharaman, J, Wang, H, Lee, D, Kogan, S, Maglaqui, M, Xiao, R, Everett, J.K, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG), Mitochondrial Protein Partnership (MPP)
Deposit date:2014-10-02
Release date:2014-10-22
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.393 Å)
Cite:Mitochondrial COQ9 is a lipid-binding protein that associates with COQ7 to enable coenzyme Q biosynthesis.
Proc.Natl.Acad.Sci.USA, 111, 2014
8T9G
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BU of 8t9g by Molmil
Automethylated PRC2 dimer bound to nucleosome
Descriptor: DNA (226-MER), Histone H2A type 1, Histone H2B 1.1, ...
Authors:Sauer, P.V, Pavlenko, E, Nogales, E, Poepsel, S.
Deposit date:2023-06-23
Release date:2024-09-25
Last modified:2024-11-06
Method:ELECTRON MICROSCOPY (6.2 Å)
Cite:Activation of automethylated PRC2 by dimerization on chromatin.
Mol.Cell, 84, 2024

227344

數據於2024-11-13公開中

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