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4Q13
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BU of 4q13 by Molmil
Apo Estrogen Receptor Alpha Ligand Binding Domain D538G Mutant with a glucocorticoid receptor-interacting protein 1 NR box II peptide
Descriptor: Estrogen receptor, Glucocorticoid receptor-interacting protein 1 NR box II peptide
Authors:Fanning, S.W, Panchamukhi, S, Greene, G.L.
Deposit date:2014-04-02
Release date:2015-04-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Estrogen receptor alpha somatic mutations Y537S and D538G confer breast cancer endocrine resistance by stabilizing the activating function-2 binding conformation.
Elife, 5, 2016
3AFQ
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BU of 3afq by Molmil
Crystal structure of the single-stranded DNA binding protein from Mycobacterium leprae (Form II)
Descriptor: Single-stranded DNA-binding protein
Authors:Kaushal, P.S, Singh, P, Sharma, A, Muniyappa, K, Vijayan, M.
Deposit date:2010-03-10
Release date:2010-10-06
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:X-ray and molecular-dynamics studies on Mycobacterium leprae single-stranded DNA-binding protein and comparison with other eubacterial SSB structures
Acta Crystallogr.,Sect.D, 66, 2010
3JXC
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BU of 3jxc by Molmil
Crystal structure of the P22 c2 repressor protein in complex with synthetic operator 9T in the presence of Tl+
Descriptor: 5'-D(*CP*AP*TP*TP*TP*AP*AP*GP*AP*TP*AP*TP*CP*TP*TP*AP*AP*AP*TP*G)-3', Repressor protein C2, THALLIUM (I) ION
Authors:Watkins, D, Koudelka, G.B, Williams, L.D.
Deposit date:2009-09-18
Release date:2010-01-19
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Sequence Recognition of DNA by Protein-Induced Conformational Transitions.
J.Mol.Biol., 396, 2010
1D88
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BU of 1d88 by Molmil
CONFORMATIONAL INFLUENCE OF THE RIBOSE 2'-HYDROXYL GROUP: CRYSTAL STRUCTURES OF DNA-RNA CHIMERIC DUPLEXES
Descriptor: DNA/RNA (5'-D(*GP*CP*GP*TP*)-R(*AP*)-D(*TP*AP*CP*GP*C)-3')
Authors:Egli, M, Usman, N, Rich, A.
Deposit date:1992-08-28
Release date:1993-07-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Conformational influence of the ribose 2'-hydroxyl group: crystal structures of DNA-RNA chimeric duplexes.
Biochemistry, 32, 1993
5QCS
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BU of 5qcs by Molmil
Crystal structure of BACE complex with BMC024
Descriptor: (2R,4S)-N-BUTYL-4-HYDROXY-2-METHYL- 4-((E)-(4AS,12R,15S,17AS)-15-METHYL -14,17-DIOXO-2,3,4,4A,6,9,11,12,13, 14,15,16,17,17A-TETRADECAHYDRO-1H-5 ,10-DITHIA-1,13,16-TRIAZA-BENZOCYCL OPENTADECEN-12-YL)-BUTYRAMIDE, Beta-secretase 1
Authors:Rondeau, J.M, Shao, C, Yang, H, Burley, S.K.
Deposit date:2017-12-01
Release date:2020-06-03
Last modified:2021-02-10
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:D3R grand challenge 4: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies.
J.Comput.Aided Mol.Des., 34, 2020
1ESF
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BU of 1esf by Molmil
STAPHYLOCOCCAL ENTEROTOXIN A
Descriptor: CADMIUM ION, STAPHYLOCOCCAL ENTEROTOXIN A
Authors:Schad, E.M, Svensson, L.A.
Deposit date:1995-05-25
Release date:1996-07-11
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of the superantigen staphylococcal enterotoxin type A.
EMBO J., 14, 1995
5QD4
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BU of 5qd4 by Molmil
Crystal structure of BACE complex with BMC023
Descriptor: Beta-secretase 1, {(E)-(3R,6S,9R)-3-[(1S,3R)-3-((S)-1 -BUTYLCARBAMOYL-2-METHYL-PROPYLCARB AMOYL)-1-HYDROXY-BUTYL]-6-METHYL-5, 8-DIOXO-1,11-DITHIA-4,7-DIAZA-CYCLO PENTADEC-13-EN-9-YL}-CARBAMIC ACID TERT-BUTYL ESTER
Authors:Rondeau, J.M, Shao, C, Yang, H, Burley, S.K.
Deposit date:2017-12-01
Release date:2020-06-03
Last modified:2021-02-10
Method:X-RAY DIFFRACTION (2.112 Å)
Cite:D3R grand challenge 4: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies.
J.Comput.Aided Mol.Des., 34, 2020
2MD6
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BU of 2md6 by Molmil
NMR SOLUTION STRUCTURE OF ALPHA CONOTOXIN LO1A FROM Conus longurionis
Descriptor: ALPHA CONOTOXIN LO1A
Authors:Maiti, M, Lescrinier, E, Herdewijn, P, Lebbe, E.K.M, Peigneur, S, D'Souza, L, Tytgat, J.
Deposit date:2013-09-01
Release date:2014-03-05
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Structure-Function Elucidation of a New alpha-Conotoxin, Lo1a, from Conus longurionis.
J.Biol.Chem., 289, 2014
2BE0
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BU of 2be0 by Molmil
Complex Between Paromomycin Derivative JS5-39 and the 16S-Rrna A-Site.
Descriptor: (2S,3S,4R,5R,6R)-5-AMINO-2-(AMINOMETHYL)-6-((2R,3R,4R,5S)-5-((1R,2R,3S,5R,6S)-3,5-DIAMINO-2-((2S,3R,4R,5S,6R)-3-AMINO-4 ,5-DIHYDROXY-6-(HYDROXYMETHYL)-TETRAHYDRO-2H-PYRAN-2-YLOXY)-6-HYDROXYCYCLOHEXYLOXY)-2-(HYDROXYMETHYL)-4-(2-((R)-PIPERIDI N-3-YLMETHYLAMINO)ETHOXY)-TETRAHYDROFURAN-3-YLOXY)-TETRAHYDRO-2H-PYRAN-3,4-DIOL, 5'-R(*CP*GP*CP*GP*UP*CP*AP*CP*AP*CP*CP*GP*GP*UP*GP*AP*AP*GP*UP*CP*GP*C)-3'
Authors:Francois, B, Westhof, E.
Deposit date:2005-10-21
Release date:2005-12-20
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.63 Å)
Cite:Antibacterial aminoglycosides with a modified mode of binding to the ribosomal-RNA decoding site
ANGEW.CHEM.INT.ED.ENGL., 43, 2004
1D87
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BU of 1d87 by Molmil
CONFORMATIONAL INFLUENCE OF THE RIBOSE 2'-HYDROXYL GROUP: CRYSTAL STRUCTURES OF DNA-RNA CHIMERIC DUPLEXES
Descriptor: DNA/RNA (5'-R(*GP*)-D(*CP*GP*TP*AP*TP*AP*CP*GP*C)-3')
Authors:Egli, M, Usman, N, Rich, A.
Deposit date:1992-08-28
Release date:1993-07-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Conformational influence of the ribose 2'-hydroxyl group: crystal structures of DNA-RNA chimeric duplexes.
Biochemistry, 32, 1993
1PME
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BU of 1pme by Molmil
STRUCTURE OF PENTA MUTANT HUMAN ERK2 MAP KINASE COMPLEXED WITH A SPECIFIC INHIBITOR OF HUMAN P38 MAP KINASE
Descriptor: 4-[5-(4-FLUORO-PHENYL)-2-(4-METHANESULFINYL-PHENYL)-3H-IMIDAZOL-4-YL]-PYRIDINE, ERK2, SULFATE ION
Authors:Xie, X.
Deposit date:1998-06-08
Release date:1999-06-08
Last modified:2022-12-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:A single amino acid substitution makes ERK2 susceptible to pyridinyl imidazole inhibitors of p38 MAP kinase.
Protein Sci., 7, 1998
1FIA
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BU of 1fia by Molmil
CRYSTAL STRUCTURE OF THE FACTOR FOR INVERSION STIMULATION FIS AT 2.0 ANGSTROMS RESOLUTION
Descriptor: FACTOR FOR INVERSION STIMULATION (FIS)
Authors:Kostrewa, D, Granzin, J, Choe, H.-W, Labahn, J, Saenger, W.
Deposit date:1991-12-18
Release date:1993-10-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of the factor for inversion stimulation FIS at 2.0 A resolution.
J.Mol.Biol., 226, 1992
2BEE
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BU of 2bee by Molmil
Complex Between Paromomycin derivative JS4 and the 16S-Rrna A Site
Descriptor: (2S,3S,4R,5R,6R)-5-AMINO-2-(AMINOMETHYL)-6-((2R,3R,4R,5S)-4-(2-(3-AMINOPROPYLAMINO)ETHOXY)-5-((1R,2R,3S,5R,6S)-3,5-DIAM INO-2-((2S,3R,4R,5S,6R)-3-AMINO-4,5-DIHYDROXY-6-(HYDROXYMETHYL)-TETRAHYDRO-2H-PYRAN-2-YLOXY)-6-HYDROXYCYCLOHEXYLOXY)-2-( HYDROXYMETHYL)-TETRAHYDROFURAN-3-YLOXY)-TETRAHYDRO-2H-PYRAN-3,4-DIOL, 5'-R(*CP*GP*CP*GP*UP*CP*AP*CP*AP*CP*CP*GP*GP*UP*GP*AP*AP*GP*UP*CP*GP*C)-3'
Authors:Francois, B, Westhof, E.
Deposit date:2005-10-24
Release date:2005-12-20
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Antibacterial aminoglycosides with a modified mode of binding to the ribosomal-RNA decoding site
ANGEW.CHEM.INT.ED.ENGL., 43, 2004
7DXJ
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BU of 7dxj by Molmil
Human 46QHuntingtin-HAP40 complex structure
Descriptor: 40-kDa huntingtin-associated protein, Huntingtin
Authors:Guo, Q, Fernandez-Busnadiego, R.
Deposit date:2021-01-19
Release date:2021-03-24
Last modified:2021-10-06
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Pathological polyQ expansion does not alter the conformation of the Huntingtin-HAP40 complex.
Structure, 29, 2021
7DXK
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BU of 7dxk by Molmil
Human 128QHuntingtin-HAP40 complex structure
Descriptor: 40-kDa huntingtin-associated protein, Huntingtin
Authors:Guo, Q, Fernandez-Busnadiego, R.
Deposit date:2021-01-19
Release date:2021-03-24
Last modified:2021-10-06
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Pathological polyQ expansion does not alter the conformation of the Huntingtin-HAP40 complex.
Structure, 29, 2021
2LLE
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BU of 2lle by Molmil
Computational design of an eight-stranded (beta/alpha)-barrel from fragments of different folds
Descriptor: Chemotaxis protein CheY, Imidazole glycerol phosphate synthase subunit HisF chimera
Authors:Coles, M, Truffault, V, Eisenbeis, S, Proffitt, W, Meiler, J, Hocker, B.
Deposit date:2011-11-07
Release date:2012-03-21
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Potential of fragment recombination for rational design of proteins.
J.Am.Chem.Soc., 134, 2012
4KHP
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BU of 4khp by Molmil
Structure of the Thermus thermophilus 30S ribosomal subunit in complex with de-6-MSA-pactamycin
Descriptor: 16S Ribosomal RNA, 30S Ribosomal protein S10, 30S Ribosomal protein S11, ...
Authors:Tourigny, D.S, Fernandez, I.S, Kelley, A.C, Ramakrishnan, V.
Deposit date:2013-05-01
Release date:2013-06-05
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Crystal Structure of a Bioactive Pactamycin Analog Bound to the 30S Ribosomal Subunit.
J.Mol.Biol., 425, 2013
2HZC
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BU of 2hzc by Molmil
Crystal structure of the N-terminal RRM of the U2AF large subunit
Descriptor: HEXAETHYLENE GLYCOL, Splicing factor U2AF 65 kDa subunit, ZINC ION
Authors:Thickman, K.R, Sickmier, E.A, Kielkopf, C.L.
Deposit date:2006-08-08
Release date:2006-08-29
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Alternative Conformations at the RNA-binding Surface of the N-terminal U2AF(65) RNA Recognition Motif.
J.Mol.Biol., 366, 2007
2AB6
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BU of 2ab6 by Molmil
HUMAN GLUTATHIONE S-TRANSFERASE M2-2 (E.C.2.5.1.18) complexed with S-METHYLGLUTATHIONE
Descriptor: Glutathione S-transferase Mu 2, L-GAMMA-GLUTAMYL-S-METHYLCYSTEINYLGLYCINE
Authors:Patskovsky, Y, Almo, S.C, Listowsky, I.
Deposit date:2005-07-14
Release date:2005-08-02
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural Perturbations in the Active Site of Human Glutathione-S-Transferase M2-2 Upon Ligand Binding
To be Published
2OKT
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BU of 2okt by Molmil
Crystal structure of O-succinylbenzoic acid synthetase from Staphylococcus aureus, ligand-free form
Descriptor: O-succinylbenzoic acid synthetase
Authors:Patskovsky, Y, Toro, R, Malashkevich, V, Sauder, J.M, Ozyurt, S, Smith, D, Dickey, M, Maletic, M, Powell, A, Gheyi, T, Wasserman, S.R, Gerlt, J, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2007-01-17
Release date:2007-01-30
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Loss of quaternary structure is associated with rapid sequence divergence in the OSBS family.
Proc.Natl.Acad.Sci.USA, 111, 2014
4M51
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BU of 4m51 by Molmil
Crystal structure of amidohydrolase nis_0429 (ser145ala mutant) from nitratiruptor sp. sb155-2
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Amidohydrolase family protein, BENZOIC ACID, ...
Authors:Patskovsky, Y, Toro, R, Gobble, A, Raushel, F.M, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2013-08-07
Release date:2013-09-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.08 Å)
Cite:Deamination of 6-aminodeoxyfutalosine in menaquinone biosynthesis by distantly related enzymes.
Biochemistry, 52, 2013
1OKK
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BU of 1okk by Molmil
HOMO-HETERODIMERIC COMPLEX OF THE SRP GTPASES
Descriptor: 1,2-ETHANEDIOL, CELL DIVISION PROTEIN FTSY, MAGNESIUM ION, ...
Authors:Focia, P.J, Freymann, D.M.
Deposit date:2003-07-26
Release date:2004-01-19
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Heterodimeric Gtpase Core of the Srp Targeting Complex
Science, 303, 2004
2OLA
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BU of 2ola by Molmil
Crystal structure of O-succinylbenzoic acid synthetase from Staphylococcus aureus, cubic crystal form
Descriptor: O-succinylbenzoic acid synthetase
Authors:Patskovsky, Y, Sauder, J.M, Ozyurt, S, Wasserman, S.R, Smith, D, Dickey, M, Maletic, M, Reyes, C, Gheyi, T, Gerlt, J.A, Almo, S.C, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2007-01-18
Release date:2007-02-06
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Loss of quaternary structure is associated with rapid sequence divergence in the OSBS family.
Proc.Natl.Acad.Sci.USA, 111, 2014
2OSN
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BU of 2osn by Molmil
An alternate description of a crystal structure of phospholipase A2 from Bungarus caeruleus
Descriptor: CHLORIDE ION, Phospholipase A2 isoform 3
Authors:Stenkamp, R.E, Le Trong, I.
Deposit date:2007-02-06
Release date:2007-03-06
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:An alternate description of two crystal structures of phospholipase A(2) from Bungarus caeruleus.
Acta Crystallogr.,Sect.D, 63, 2007
2OZT
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BU of 2ozt by Molmil
Crystal structure of O-succinylbenzoate synthase from Thermosynechococcus elongatus BP-1
Descriptor: PHOSPHATE ION, SODIUM ION, Tlr1174 protein
Authors:Malashkevich, V.N, Bonanno, J, Toro, R, Sauder, J.M, Schwinn, K.D, Bain, K.T, Adams, J.M, Reyes, C, Rooney, I, Gheyi, T, Wasserman, S.R, Emtage, S, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2007-02-27
Release date:2007-03-13
Last modified:2021-02-03
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Loss of quaternary structure is associated with rapid sequence divergence in the OSBS family.
Proc.Natl.Acad.Sci.USA, 111, 2014

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数据于2024-10-02公开中

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