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3CAV
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BU of 3cav by Molmil
Crystal structure of 5beta-reductase (AKR1D1) in complex with NADP+ and 5beta-pregnan-3,20-dione
Descriptor: (5BETA)-PREGNANE-3,20-DIONE, 1,2-ETHANEDIOL, 3-oxo-5-beta-steroid 4-dehydrogenase, ...
Authors:Faucher, F, Cantin, L, Breton, R.
Deposit date:2008-02-20
Release date:2008-07-29
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The crystal structure of human Delta4-3-ketosteroid 5beta-reductase defines the functional role of the residues of the catalytic tetrad in the steroid double bond reduction mechanism.
Biochemistry, 47, 2008
3CBW
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BU of 3cbw by Molmil
Crystal structure of the YdhT protein from Bacillus subtilis
Descriptor: CITRIC ACID, YdhT protein
Authors:Bonanno, J.B, Rutter, M, Bain, K.T, Iizuka, M, Romero, R, Smith, D, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2008-02-23
Release date:2008-03-11
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.269 Å)
Cite:Crystal structure of the YdhT protein from Bacillus subtilis.
To be Published
2QWC
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BU of 2qwc by Molmil
THE X-RAY STRUCTURE OF A COMPLEX OF NEU5AC2EN AND A DRUG RESISTANT VARIANT R292K OF TERN N9 INFLUENZA VIRUS NEURAMINIDASE
Descriptor: 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Varghese, J.N.
Deposit date:1998-04-07
Release date:1998-11-11
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Drug design against a shifting target: a structural basis for resistance to inhibitors in a variant of influenza virus neuraminidase.
Structure, 6, 1998
3CI2
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BU of 3ci2 by Molmil
REFINEMENT OF THE THREE-DIMENSIONAL SOLUTION STRUCTURE OF BARLEY SERINE PROTEINASE INHIBITOR 2 AND COMPARISON WITH THE STRUCTURES IN CRYSTALS
Descriptor: CHYMOTRYPSIN INHIBITOR 2
Authors:Poulsen, F.M.
Deposit date:1991-09-10
Release date:1993-10-31
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Refinement of the three-dimensional solution structure of barley serine proteinase inhibitor 2 and comparison with the structures in crystals.
J.Mol.Biol., 222, 1991
2QWB
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BU of 2qwb by Molmil
THE X-RAY STRUCTURE OF A COMPLEX OF SIALIC ACID AND A DRUG RESISTANT VARIANT R292K OF TERN N9 INFLUENZA VIRUS NEURAMINIDASE
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Varghese, J.N.
Deposit date:1998-04-07
Release date:1998-11-11
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:Drug design against a shifting target: a structural basis for resistance to inhibitors in a variant of influenza virus neuraminidase.
Structure, 6, 1998
3CHQ
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BU of 3chq by Molmil
Crystal structure of leukotriene a4 hydrolase in complex with N5-[4-(phenylmethoxy)phenyl]-L-glutamine
Descriptor: (2S)-2-amino-5-oxo-5-[(4-phenylmethoxyphenyl)amino]pentanoic acid, IMIDAZOLE, Leukotriene A-4 hydrolase, ...
Authors:Thunnissen, M.M.G.M, Adler, M, Whitlow, M.
Deposit date:2008-03-10
Release date:2008-04-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Synthesis of glutamic acid analogs as potent inhibitors of leukotriene A4 hydrolase.
Bioorg.Med.Chem., 16, 2008
3CHE
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BU of 3che by Molmil
Crystal structure of Aspergillus fumigatus chitinase B1 in complex with tripeptide
Descriptor: Chitinase, Peptide inhibitor, SULFATE ION
Authors:Andersen, O.A, van Aalten, D.M.F.
Deposit date:2008-03-09
Release date:2008-03-25
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structure-based dissection of the natural product cyclopentapeptide chitinase inhibitor argifin.
Chem.Biol., 15, 2008
3CI5
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BU of 3ci5 by Molmil
Complex of Phosphorylated Dictyostelium Discoideum Actin with Gelsolin
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, GLYCEROL, ...
Authors:Baek, K, Dominguez, R.
Deposit date:2008-03-10
Release date:2008-08-19
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Modulation of actin structure and function by phosphorylation of Tyr-53 and profilin binding.
Proc.Natl.Acad.Sci.Usa, 105, 2008
3CFJ
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BU of 3cfj by Molmil
Crystal structure of catalytic elimination antibody 34E4, orthorhombic crystal form
Descriptor: CATALYTIC ANTIBODY FAB 34E4 HEAVY CHAIN fusion, CATALYTIC ANTIBODY FAB 34E4 LIGHT CHAIN fusion, GLYCEROL, ...
Authors:Debler, E.W, Wilson, I.A.
Deposit date:2008-03-04
Release date:2008-04-15
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Conformational isomerism can limit antibody catalysis.
J.Biol.Chem., 283, 2008
2R2L
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BU of 2r2l by Molmil
Structure of Farnesyl Protein Transferase bound to PB-93
Descriptor: FARNESYL DIPHOSPHATE, Farnesyltransferase subunit alpha, Farnesyltransferase subunit beta, ...
Authors:Strickland, C.O, Voorhis, W.
Deposit date:2007-08-27
Release date:2008-03-11
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Efficacy, pharmacokinetics, and metabolism of tetrahydroquinoline inhibitors of Plasmodium falciparum protein farnesyltransferase.
Antimicrob.Agents Chemother., 51, 2007
3CH5
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BU of 3ch5 by Molmil
The crystal structure of the RanGDP-Nup153ZnF2 complex
Descriptor: Fragment of Nuclear pore complex protein Nup153, GTP-binding nuclear protein Ran, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Vetter, I.R, Schrader, N.
Deposit date:2008-03-07
Release date:2008-07-01
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The Crystal Structure of the Ran-Nup153ZnF2 Complex: a General Ran Docking Site at the Nuclear Pore Complex
Structure, 16, 2008
3CHR
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BU of 3chr by Molmil
Crystal structure of leukotriene A4 hydrolase in complex with 4-amino-N-[4-(phenylmethoxy)phenyl]-butanamide
Descriptor: 4-amino-N-[4-(benzyloxy)phenyl]butanamide, IMIDAZOLE, Leukotriene A-4 hydrolase, ...
Authors:Thunnissen, M.M.G.M, Adler, M, Whitlow, M.
Deposit date:2008-03-10
Release date:2008-04-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Synthesis of glutamic acid analogs as potent inhibitors of leukotriene A4 hydrolase.
Bioorg.Med.Chem., 16, 2008
2QI9
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BU of 2qi9 by Molmil
ABC-transporter BtuCD in complex with its periplasmic binding protein BtuF
Descriptor: DI(HYDROXYETHYL)ETHER, PENTAETHYLENE GLYCOL, PHOSPHATE ION, ...
Authors:Hvorup, R.N, Goetz, B.A, Niederer, M, Hollenstein, K, Perozo, E, Locher, K.P.
Deposit date:2007-07-03
Release date:2007-08-14
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Asymmetry in the structure of the ABC transporter-binding protein complex BtuCD-BtuF.
Science, 317, 2007
2QJM
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BU of 2qjm by Molmil
Crystal structure of the K271E mutant of Mannonate dehydratase from Novosphingobium aromaticivorans complexed with Mg and D-mannonate
Descriptor: D-MANNONIC ACID, MAGNESIUM ION, Mandelate racemase/muconate lactonizing enzyme
Authors:Fedorov, A.A, Fedorov, E.V, Rakus, J.F, Vick, J.E, Gerlt, J.A, Almo, S.C.
Deposit date:2007-07-08
Release date:2007-10-30
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Evolution of enzymatic activities in the enolase superfamily: D-Mannonate dehydratase from Novosphingobium aromaticivorans.
Biochemistry, 46, 2007
2R0M
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BU of 2r0m by Molmil
The effect of a Glu370Asp Mutation in Glutaryl-CoA Dehydrogenase on Proton Transfer to the Dienolate Intermediate
Descriptor: 4-nitrobutanoic acid, FLAVIN-ADENINE DINUCLEOTIDE, Glutaryl-CoA dehydrogenase
Authors:Rao, K.S, Fu, Z, Albro, M, Narayanan, B, Baddam, S, Lee, H.J, Kim, J.J, Frerman, F.E.
Deposit date:2007-08-20
Release date:2008-04-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The effect of a Glu370Asp mutation in glutaryl-CoA dehydrogenase on proton transfer to the dienolate intermediate.
Biochemistry, 46, 2007
2QQS
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BU of 2qqs by Molmil
JMJD2A tandem tudor domains in complex with a trimethylated histone H4-K20 peptide
Descriptor: JmjC domain-containing histone demethylation protein 3A, METHYLATED HISTONE H4 PEPTIDE
Authors:Lee, J, Botuyan, M.V, Mer, G.
Deposit date:2007-07-26
Release date:2007-12-11
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.82 Å)
Cite:Distinct binding modes specify the recognition of methylated histones H3K4 and H4K20 by JMJD2A-tudor.
Nat.Struct.Mol.Biol., 15, 2008
2QWD
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BU of 2qwd by Molmil
THE X-RAY STRUCTURE OF A COMPLEX OF 4-AMINO-NEU5AC2EN AND A DRUG RESISTANT VARIANT R292K OF TERN N9 INFLUENZA VIRUS NEURAMINIDASE
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-AMINO-2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID, ...
Authors:Varghese, J.N.
Deposit date:1998-04-07
Release date:1998-11-11
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:Drug design against a shifting target: a structural basis for resistance to inhibitors in a variant of influenza virus neuraminidase.
Structure, 6, 1998
2QWK
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BU of 2qwk by Molmil
THE X-RAY STRUCTURE OF A COMPLEX OF 5-N-ACETYL-5-AMINO-3-(1-ETHYLPROPOXY)-1-CYCLOHEXENE-1-CARBOXYLIC ACID (GS4071) AND WILDTYPE TERN N9 INFLUENZA VIRUS NEURAMINIDASE
Descriptor: (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Varghese, J.N.
Deposit date:1998-04-07
Release date:1998-11-11
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Drug design against a shifting target: a structural basis for resistance to inhibitors in a variant of influenza virus neuraminidase.
Structure, 6, 1998
2QB3
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BU of 2qb3 by Molmil
Structural Studies Reveal the Inactivation of E. coli L-Aspartate Aminotransferase by (s)-4,5-dihydro-2-thiophenecarboxylic acid (SADTA) via Two Mechanisms (at pH 7.5)
Descriptor: 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, 4-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)AMINO]THIOPHENE-2-CARBOXYLIC ACID, Aspartate aminotransferase, ...
Authors:Liu, D, Pozharski, E, Lepore, B, Fu, M, Silverman, R.B, Petsko, G.A, Ringe, D.
Deposit date:2007-06-15
Release date:2007-12-04
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Inactivation of Escherichia coli L-aspartate aminotransferase by (S)-4-amino-4,5-dihydro-2-thiophenecarboxylic acid reveals "a tale of two mechanisms".
Biochemistry, 46, 2007
2QCB
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BU of 2qcb by Molmil
T7-tagged full-length streptavidin complexed with ruthenium ligand
Descriptor: N-(4-{[(2-AMINOETHYL)AMINO]SULFONYL}PHENYL)-5-[(3AS,4S,6AR)-2-OXOHEXAHYDRO-1H-THIENO[3,4-D]IMIDAZOL-4-YL]PENTANAMIDE-(1,2,3,4,5,6-ETA)-BENZENE-CHLORO-RUTHENIUM(III), Streptavidin
Authors:Le Trong, I, Creus, M, Pordea, A, Ward, T.R, Stenkamp, R.E.
Deposit date:2007-06-19
Release date:2008-04-29
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:X-ray structure and designed evolution of an artificial transfer hydrogenase
Angew.Chem.Int.Ed.Engl., 47, 2008
2QJP
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BU of 2qjp by Molmil
Crystal structure of wild type rhodobacter sphaeroides with stigmatellin and antimycin inhibited
Descriptor: (1R)-2-{[(R)-(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(DODECANOYLOXY)METHYL]ETHYL (9Z)-OCTADEC-9-ENOATE, (2R,3S,6S,7R,8R)-3-{[3-(FORMYLAMINO)-2-HYDROXYBENZOYL]AMINO}-8-HEXYL-2,6-DIMETHYL-4,9-DIOXO-1,5-DIOXONAN-7-YL (2S)-2-METHYLBUTANOATE, 2-O-octyl-beta-D-glucopyranose, ...
Authors:Esser, L, Xia, D.
Deposit date:2007-07-08
Release date:2007-12-25
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Inhibitor-complexed structures of the cytochrome bc1 from the photosynthetic bacterium Rhodobacter sphaeroides.
J.Biol.Chem., 283, 2008
2QLW
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BU of 2qlw by Molmil
Crystal structure of rhamnose mutarotase RhaU of Rhizobium leguminosarum
Descriptor: FORMIC ACID, MAGNESIUM ION, RhaU
Authors:Carpena, X, Loewen, P.C.
Deposit date:2007-07-13
Release date:2008-11-04
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:RhaU of Rhizobium leguminosarum is a rhamnose mutarotase.
J.Bacteriol., 190, 2008
2QJJ
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BU of 2qjj by Molmil
Crystal structure of D-Mannonate dehydratase from Novosphingobium aromaticivorans
Descriptor: MAGNESIUM ION, Mandelate racemase/muconate lactonizing enzyme
Authors:Fedorov, A.A, Fedorov, E.V, Rakus, J.F, Vick, J.E, Gerlt, J.A, Almo, S.C.
Deposit date:2007-07-07
Release date:2007-10-30
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Evolution of enzymatic activities in the enolase superfamily: D-Mannonate dehydratase from Novosphingobium aromaticivorans.
Biochemistry, 46, 2007
2QWA
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BU of 2qwa by Molmil
THE X-RAY STRUCTURE OF A DRUG RESISTANT VARIANT R292K OF TERN N9 INFLUENZA VIRUS NEURAMINIDASE
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Varghese, J.N.
Deposit date:1998-04-07
Release date:1998-11-11
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Drug design against a shifting target: a structural basis for resistance to inhibitors in a variant of influenza virus neuraminidase.
Structure, 6, 1998
2QXF
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BU of 2qxf by Molmil
Product bound structure of exonuclease I at 1.5 angstrom resolution
Descriptor: Exodeoxyribonuclease I, MAGNESIUM ION, SODIUM ION, ...
Authors:Busam, R.D.
Deposit date:2007-08-11
Release date:2008-01-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure of Escherichia coli exonuclease I in complex with thymidine 5'-monophosphate.
Acta Crystallogr.,Sect.D, 64, 2008

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