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3CZ0
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BU of 3cz0 by Molmil
Dimeric crystal structure of a pheromone binding protein from Apis mellifera in complex with the n-butyl benzene sulfonamide at pH 7.0
Descriptor: (2Z)-9-oxodec-2-enoic acid, CHLORIDE ION, GLYCEROL, ...
Authors:Pesenti, M.E, Spinelli, S, Bezirard, V, Briand, L, Pernollet, J.C, Tegoni, M, Cambillau, C.
Deposit date:2008-04-27
Release date:2009-04-28
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Queen bee pheromone binding protein pH-induced domain swapping favors pheromone release
J.Mol.Biol., 390, 2009
2HND
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BU of 2hnd by Molmil
Crystal Structure of K101E Mutant HIV-1 Reverse Transcriptase in Complex with Nevirapine
Descriptor: 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE, MAGNESIUM ION, PHOSPHATE ION, ...
Authors:Ren, J, Nichols, C.E, Stamp, A, Chamberlain, P.P, Stammers, D.K.
Deposit date:2006-07-12
Release date:2006-09-05
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural insights into mechanisms of non-nucleoside drug resistance for HIV-1 reverse transcriptases mutated at codons 101 or 138.
Febs J., 273, 2006
2HOK
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BU of 2hok by Molmil
Crystal structure of an E. coli thi-box riboswitch bound to thiamine pyrophosphate, calcium ions
Descriptor: CALCIUM ION, THIAMINE DIPHOSPHATE, thi-box riboswitch
Authors:Edwards, T.E, Ferre-D'Amare, A.R.
Deposit date:2006-07-14
Release date:2006-09-19
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Crystal Structures of the Thi-Box Riboswitch Bound to Thiamine Pyrophosphate Analogs Reveal Adaptive RNA-Small Molecule Recognition
Structure, 14, 2006
1TU0
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BU of 1tu0 by Molmil
Aspartate Transcarbamoylase Catalytic Chain Mutant E50A Complex with Phosphonoacetamide
Descriptor: Aspartate carbamoyltransferase catalytic chain, Aspartate carbamoyltransferase regulatory chain, PHOSPHONOACETAMIDE, ...
Authors:Stieglitz, K, Stec, B, Baker, D.P, Kantrowitz, E.R.
Deposit date:2004-06-23
Release date:2004-07-20
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Monitoring the Transition from the T to the R State in E.coli Aspartate Transcarbamoylase by X-ray Crystallography: Crystal Structures of the E50A Mutant Enzyme in Four Distinct Allosteric States.
J.Mol.Biol., 341, 2004
1TOI
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BU of 1toi by Molmil
Hydrocinnamic acid-bound structure of Hexamutant + A293D mutant of E. coli aspartate aminotransferase
Descriptor: Aspartate aminotransferase, HYDROCINNAMIC ACID
Authors:Chow, M.A, McElroy, K.E, Corbett, K.D, Berger, J.M, Kirsch, J.F.
Deposit date:2004-06-14
Release date:2004-10-05
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Narrowing substrate specificity in a directly evolved enzyme: the A293D mutant of aspartate aminotransferase
Biochemistry, 43, 2004
1TTH
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BU of 1tth by Molmil
Aspartate Transcarbamoylase Catalytic Chain Mutant Glu50Ala Complexed with N-(Phosphonacetyl-L-Aspartate) (PALA)
Descriptor: Aspartate carbamoyltransferase catalytic chain, Aspartate carbamoyltransferase regulatory chain, N-(PHOSPHONACETYL)-L-ASPARTIC ACID, ...
Authors:Stieglitz, K, Stec, B, Baker, D.P, Kantrowitz, E.R.
Deposit date:2004-06-22
Release date:2004-07-20
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Monitoring the Transition from the T to the R State in E.coli Aspartate Transcarbamoylase by X-ray Crystallography: Crystal Structures of the E50A Mutant Enzyme in Four Distinct Allosteric States.
J.Mol.Biol., 341, 2004
2HNY
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BU of 2hny by Molmil
Crystal Structure of E138K Mutant HIV-1 Reverse Transcriptase in Complex with Nevirapine
Descriptor: 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE, MAGNESIUM ION, PHOSPHATE ION, ...
Authors:Ren, J, Nichols, C.E, Stamp, A, Chamberlain, P.P, Stammers, D.K.
Deposit date:2006-07-13
Release date:2006-09-05
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural insights into mechanisms of non-nucleoside drug resistance for HIV-1 reverse transcriptases mutated at codons 101 or 138.
Febs J., 273, 2006
2HOM
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BU of 2hom by Molmil
Crystal structure of an E. coli thi-box riboswitch bound to thiamine monophosphate
Descriptor: CALCIUM ION, MAGNESIUM ION, THIAMIN PHOSPHATE, ...
Authors:Edwards, T.E, Ferre-D'Amare, A.R.
Deposit date:2006-07-14
Release date:2006-09-19
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Crystal Structures of the Thi-Box Riboswitch Bound to Thiamine Pyrophosphate Analogs Reveal Adaptive RNA-Small Molecule Recognition
Structure, 14, 2006
2HOL
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BU of 2hol by Molmil
Crystal structure of an E. coli thi-box riboswitch bound to thiamine pyrophosphate, barium ions
Descriptor: BARIUM ION, CALCIUM ION, MAGNESIUM ION, ...
Authors:Edwards, T.E, Ferre-D'Amare, A.R.
Deposit date:2006-07-14
Release date:2006-09-19
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal Structures of the Thi-Box Riboswitch Bound to Thiamine Pyrophosphate Analogs Reveal Adaptive RNA-Small Molecule Recognition
Structure, 14, 2006
2HOO
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BU of 2hoo by Molmil
Crystal structure of an E. coli thi-box riboswitch bound to benfotiamine
Descriptor: CALCIUM ION, S-BENZOYLTHIAMINE O-MONOPHOSPHATE, thi-box riboswitch
Authors:Edwards, T.E, Ferre-D'Amare, A.R.
Deposit date:2006-07-14
Release date:2006-09-19
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal Structures of the Thi-Box Riboswitch Bound to Thiamine Pyrophosphate Analogs Reveal Adaptive RNA-Small Molecule Recognition
Structure, 14, 2006
2HOJ
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BU of 2hoj by Molmil
Crystal structure of an E. coli thi-box riboswitch bound to thiamine pyrophosphate, manganese ions
Descriptor: MAGNESIUM ION, MANGANESE (II) ION, THIAMINE DIPHOSPHATE, ...
Authors:Edwards, T.E, Ferre-D'Amare, A.R.
Deposit date:2006-07-14
Release date:2006-09-19
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal Structures of the Thi-Box Riboswitch Bound to Thiamine Pyrophosphate Analogs Reveal Adaptive RNA-Small Molecule Recognition
Structure, 14, 2006
2HOP
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BU of 2hop by Molmil
Crystal structure of an E. coli thi-box riboswitch bound to pyrithiamine
Descriptor: 1-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-3-(2-HYDROXYETHYL)-2-METHYLPYRIDINIUM, CALCIUM ION, MAGNESIUM ION, ...
Authors:Edwards, T.E, Ferre-D'Amare, A.R.
Deposit date:2006-07-14
Release date:2006-09-19
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Crystal Structures of the Thi-Box Riboswitch Bound to Thiamine Pyrophosphate Analogs Reveal Adaptive RNA-Small Molecule Recognition
Structure, 14, 2006
1YWL
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BU of 1ywl by Molmil
Solution NMR structure of the protein EF2693 from E. faecalis: Northeast Structural Genomics Consortium target EFR36
Descriptor: Hypothetical UPF0213 protein EF2693
Authors:Northeast Structural Genomics Consortium (NESG)
Deposit date:2005-02-18
Release date:2005-03-29
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution NMR structure of the protein EF2693 from E. faecalis: Northeast Structural Genomics Consortium target EFR36
To be Published
4I7F
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BU of 4i7f by Molmil
HIV-1 Reverse Transcriptase in complex with a phosphonate analog of nevirapine
Descriptor: CHLORIDE ION, MAGNESIUM ION, Reverse transcriptase, ...
Authors:Lansdon, E.B, Parrish, J.
Deposit date:2012-11-30
Release date:2013-02-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Synthesis and biological evaluation of phosphonate analogues of nevirapine.
Bioorg.Med.Chem.Lett., 23, 2013
4ICL
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BU of 4icl by Molmil
HIV-1 reverse transcriptase with bound fragment at the incoming dNTP binding site
Descriptor: 4-(4-methylpiperazin-1-yl)benzoic acid, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, DIMETHYL SULFOXIDE, ...
Authors:Bauman, J.D, Patel, D, Arnold, E.
Deposit date:2012-12-10
Release date:2013-02-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Detecting Allosteric Sites of HIV-1 Reverse Transcriptase by X-ray Crystallographic Fragment Screening.
J.Med.Chem., 56, 2013
4IFY
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BU of 4ify by Molmil
HIV-1 reverse transcriptase with bound fragment at the Knuckles site
Descriptor: 1-[4-(trifluoromethoxy)phenyl]methanamine, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, DIMETHYL SULFOXIDE, ...
Authors:Bauman, J.D, Patel, D, Arnold, E.
Deposit date:2012-12-15
Release date:2013-02-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Detecting Allosteric Sites of HIV-1 Reverse Transcriptase by X-ray Crystallographic Fragment Screening.
J.Med.Chem., 56, 2013
4EZ3
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BU of 4ez3 by Molmil
CDK2 in complex with NSC 134199
Descriptor: 1,2-ETHANEDIOL, 4-[(E)-(6-hydroxy-2-oxo-1,2-dihydropyridin-3-yl)diazenyl]benzenesulfonamide, Cyclin-dependent kinase 2
Authors:Alam, R, Martin, M, Zhu, J.-Y, Schonbrunn, E.
Deposit date:2012-05-02
Release date:2012-08-22
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:A Novel Approach to the Discovery of Small-Molecule Ligands of CDK2.
Chembiochem, 13, 2012
4IFV
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BU of 4ifv by Molmil
Detecting Allosteric Sites of HIV-1 Reverse Transcriptase by X-Ray Crystallographic Fragment Screening
Descriptor: 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, DIMETHYL SULFOXIDE, Exoribonuclease H, ...
Authors:Bauman, J.D, Patel, D, Fromer, M, Arnold, E.
Deposit date:2012-12-15
Release date:2013-02-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Detecting Allosteric Sites of HIV-1 Reverse Transcriptase by X-ray Crystallographic Fragment Screening.
J.Med.Chem., 56, 2013
4ID5
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BU of 4id5 by Molmil
HIV-1 reverse transcriptase with bound fragment at the RNase H primer grip site
Descriptor: 1-methyl-5-phenyl-1H-pyrazole-4-carboxylic acid, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, DIMETHYL SULFOXIDE, ...
Authors:Bauman, J.D, Patel, D, Arnold, E.
Deposit date:2012-12-11
Release date:2013-02-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Detecting Allosteric Sites of HIV-1 Reverse Transcriptase by X-ray Crystallographic Fragment Screening.
J.Med.Chem., 56, 2013
1RYL
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BU of 1ryl by Molmil
The Crystal Structure of a Protein of Unknown Function YfbM from Escherichia coli
Descriptor: Hypothetical protein yfbM
Authors:Zhang, R, Evdokimova, E, Savchenko, A, Edwards, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2003-12-22
Release date:2004-07-06
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:1.6A crystal structure of a hypothetical protein yfbM from E. coli
To be Published
2FEO
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BU of 2feo by Molmil
Mutant R188M of The Cytidine Monophosphate Kinase from E. coli complexed with dCMP
Descriptor: 2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE, Cytidylate kinase, SULFATE ION
Authors:Ofiteru, A, Bucurenci, N, Alexov, E, Bertrand, T, Briozzo, P, Munier-Lehmann, H, Tourneux, L, Barzu, O, Gilles, A.M.
Deposit date:2005-12-16
Release date:2006-01-10
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural and functional consequences of single amino acid substitutions in the pyrimidine base binding pocket of Escherichia coli CMP kinase.
Febs J., 274, 2007
3QJH
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BU of 3qjh by Molmil
The crystal structure of the 5c.c7 TCR
Descriptor: 5c.c7 alpha chain, 5c.c7 beta chain
Authors:Ely, L.K, Newell, E.W, Davis, M.M, Garcia, K.C.
Deposit date:2011-01-28
Release date:2011-04-27
Last modified:2024-11-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural basis of specificity and cross-reactivity in T cell receptors specific for cytochrome c-I-E(k).
J.Immunol., 186, 2011
3QJF
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BU of 3qjf by Molmil
Crystal structure of the 2B4 TCR
Descriptor: 2B4 alpha chain, 2B4 beta chain
Authors:Ely, L.K, Newell, E.W, Davis, M.M, Garcia, K.C.
Deposit date:2011-01-28
Release date:2011-04-27
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural basis of specificity and cross-reactivity in T cell receptors specific for cytochrome c-I-E(k).
J.Immunol., 186, 2011
4IDK
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BU of 4idk by Molmil
HIV-1 reverse transcriptase with bound fragment at the 428 site
Descriptor: 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, DIMETHYL SULFOXIDE, MAGNESIUM ION, ...
Authors:Bauman, J.D, Patel, D, Arnold, E.
Deposit date:2012-12-12
Release date:2013-02-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Detecting Allosteric Sites of HIV-1 Reverse Transcriptase by X-ray Crystallographic Fragment Screening.
J.Med.Chem., 56, 2013
3ZG4
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BU of 3zg4 by Molmil
NMR structure of the catalytic domain from E. faecium L,D- transpeptidase
Descriptor: ERFK/YBIS/YCFS/YNHG
Authors:Lecoq, L, Dubee, V, Triboulet, S, Bougault, C, Hugonnet, J.E, Arthur, M, Simorre, J.P.
Deposit date:2012-12-14
Release date:2013-04-24
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:The Structure of Enterococcus Faecium L,D---Transpeptidase Acylated by Ertapenem Provides Insight Into the Inactivation Mechanism.
Acs Chem.Biol., 8, 2013

238582

数据于2025-07-09公开中

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