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2A32
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BU of 2a32 by Molmil
Trypsin in complex with benzene boronic acid
Descriptor: 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, BORATE ION, CALCIUM ION, ...
Authors:Transue, T.R, Gabel, S.A, London, R.E.
Deposit date:2005-06-23
Release date:2006-07-04
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:NMR and crystallographic characterization of adventitious borate binding by trypsin.
Bioconjug.Chem., 17, 2006
7ZEA
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BU of 7zea by Molmil
Crystal Structure of truncated aspartate transcarbamoylase from Plasmodium falciparum with bound inhibitor O-benzylhydroxylamine
Descriptor: Aspartate carbamoyltransferase, O-benzylhydroxylamine, SODIUM ION, ...
Authors:Wang, C, Zhang, B.
Deposit date:2022-03-30
Release date:2022-08-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.448 Å)
Cite:Discovery of Small-Molecule Allosteric Inhibitors of Pf ATC as Antimalarials.
J.Am.Chem.Soc., 144, 2022
7YZX
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BU of 7yzx by Molmil
ScpA from Streptococcus pyogenes, D783A mutant.
Descriptor: C5a peptidase, CALCIUM ION, MALONIC ACID, ...
Authors:Kagawa, T.F, Cooney, J.C, Jain, M.
Deposit date:2022-02-21
Release date:2022-08-31
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:X-ray diffraction data for the C5a-peptidase mutant with modified activity and specificity.
Data Brief, 46, 2023
7ZCZ
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BU of 7zcz by Molmil
Crystal Structure of truncated aspartate transcarbamoylase from Plasmodium falciparum with bound inhibitor 1-(4-chlorophenyl)methanamine
Descriptor: 1-(4-CHLOROPHENYL)METHANAMINE, Aspartate carbamoyltransferase, SODIUM ION, ...
Authors:Wang, C, Zhang, B.
Deposit date:2022-03-29
Release date:2022-08-31
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Discovery of Small-Molecule Allosteric Inhibitors of Pf ATC as Antimalarials.
J.Am.Chem.Soc., 144, 2022
7ZB1
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BU of 7zb1 by Molmil
S580A with 18mer
Descriptor: 1,2-ETHANEDIOL, 18mer, BICARBONATE ION, ...
Authors:Song, H, Naismith, J.H.
Deposit date:2022-03-23
Release date:2022-07-06
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Molecular basis for the enzymatic macrocyclization of multiply backbone N-methylated peptides
Biorxiv, 2022
7ZB0
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BU of 7zb0 by Molmil
macrocyclase OphP with 15mer
Descriptor: 1,2-ETHANEDIOL, 15mer, BICARBONATE ION, ...
Authors:Song, H, Naismith, J.H.
Deposit date:2022-03-23
Release date:2022-07-06
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.47 Å)
Cite:Molecular basis for the enzymatic macrocyclization of multiply backbone N-methylated peptides
Biorxiv, 2022
2A5D
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BU of 2a5d by Molmil
Structural basis for the activation of cholera toxin by human ARF6-GTP
Descriptor: ADP-ribosylation factor 6, Cholera enterotoxin, A chain, ...
Authors:O'Neal, C.J, Jobling, M.G, Holmes, R.K, Hol, W.G.J.
Deposit date:2005-06-30
Release date:2005-08-16
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural basis for the activation of cholera toxin by human ARF6-GTP.
Science, 309, 2005
7Z05
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BU of 7z05 by Molmil
White Bream virus N7-Methyltransferase
Descriptor: DI(HYDROXYETHYL)ETHER, Non-structural protein 1, S-ADENOSYL-L-HOMOCYSTEINE, ...
Authors:Shannon, A, Gauffre, P, Canard, B, Ferron, F.
Deposit date:2022-02-22
Release date:2022-09-28
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:A second type of N7-guanine RNA cap methyltransferase in an unusual locus of a large RNA virus genome.
Nucleic Acids Res., 50, 2022
7ZA4
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BU of 7za4 by Molmil
GSTF sh155 mutant
Descriptor: Glutathione transferase, SODIUM ION
Authors:Papageorgiou, A.C.
Deposit date:2022-03-22
Release date:2022-07-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Directed Evolution of Phi Class Glutathione Transferases Involved in Multiple-Herbicide Resistance of Grass Weeds and Crops.
Int J Mol Sci, 23, 2022
1ZC9
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BU of 1zc9 by Molmil
The crystal structure of dialkylglycine decarboxylase complex with pyridoxamine 5-phosphate
Descriptor: 2,2-dialkylglycine decarboxylase, 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, POTASSIUM ION, ...
Authors:Fogle, E.J, Liu, W, Toney, M.D.
Deposit date:2005-04-11
Release date:2006-01-03
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:Role of q52 in catalysis of decarboxylation and transamination in dialkylglycine decarboxylase.
Biochemistry, 44, 2005
7YNE
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BU of 7yne by Molmil
Crystal structure of fragmin domain-1 (1-160) in complex with G-form actin
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Takeda, S.
Deposit date:2022-07-30
Release date:2022-10-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structures and mechanisms of actin ATP hydrolysis.
Proc.Natl.Acad.Sci.USA, 119, 2022
2A1E
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BU of 2a1e by Molmil
High resolution structure of HIV-1 PR with TS-126
Descriptor: ACETATE ION, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Demitri, N, Geremia, S, Randaccio, L, Wuerges, J, Benedetti, F, Berti, F, Dinon, F, Campaner, P, Tell, G.
Deposit date:2005-06-20
Release date:2006-02-21
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:A potent HIV protease inhibitor identified in an epimeric mixture by high-resolution protein crystallography.
Chemmedchem, 1, 2006
2A5G
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BU of 2a5g by Molmil
Cholera toxin A1 subunit bound to ARF6(Q67L)
Descriptor: ADP-ribosylation factor 6, Cholera enterotoxin, A chain, ...
Authors:O'Neal, C.J, Jobling, M.G, Holmes, R.K, Hol, W.G.J.
Deposit date:2005-06-30
Release date:2005-08-16
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.66 Å)
Cite:Structural basis for the activation of cholera toxin by human ARF6-GTP.
Science, 309, 2005
2A83
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BU of 2a83 by Molmil
Crystal structure of hla-b*2705 complexed with the glucagon receptor (gr) peptide (residues 412-420)
Descriptor: Beta-2-microglobulin, GLYCEROL, HLA class I histocompatibility antigen, ...
Authors:Ruckert, C, Fiorillo, M.T, Loll, B, Moretti, R, Biesiadka, J, Saenger, W, Ziegler, A, Sorrentino, R, Uchanska-Ziegler, B.
Deposit date:2005-07-07
Release date:2005-12-27
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Conformational dimorphism of self-peptides and molecular mimicry in a disease-associated HLA-B27 subtype.
J.Biol.Chem., 281, 2006
1Y33
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BU of 1y33 by Molmil
Crystal structure of the complex of subtilisin BPN' with chymotrypsin inhibitor 2 T58P mutant
Descriptor: CALCIUM ION, CITRIC ACID, POLYETHYLENE GLYCOL (N=34), ...
Authors:Radisky, E.S, Lu, C.J, Kwan, G, Koshland Jr, D.E.
Deposit date:2004-11-23
Release date:2005-05-17
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Role of the intramolecular hydrogen bond network in the inhibitory power of chymotrypsin inhibitor 2
Biochemistry, 44, 2005
2AU7
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BU of 2au7 by Molmil
The R43Q active site variant of E.coli inorganic pyrophosphatase
Descriptor: CHLORIDE ION, Inorganic pyrophosphatase, MANGANESE (II) ION, ...
Authors:Samygina, V.R, Avaeva, S.M, Bartunik, H.D.
Deposit date:2005-08-27
Release date:2006-08-29
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Reversible inhibition of Escherichia coli inorganic pyrophosphatase by fluoride: trapped catalytic intermediates in cryo-crystallographic studies
J.Mol.Biol., 366, 2007
2AOC
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BU of 2aoc by Molmil
Crystal structure analysis of HIV-1 protease mutant I84V with a substrate analog P2-NC
Descriptor: CHLORIDE ION, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Tie, Y, Boross, P.I, Wang, Y.F, Gaddis, L, Liu, F, Chen, X, Tozser, J, Harrison, R.W, Weber, I.T.
Deposit date:2005-08-12
Release date:2006-01-17
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Molecular basis for substrate recognition and drug resistance from 1.1 to 1.6 angstroms resolution crystal structures of HIV-1 protease mutants with substrate analogs.
Febs J., 272, 2005
2AUT
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BU of 2aut by Molmil
Crystal structure of Lys154Asn mutant of mature AphA of S. typhimurium
Descriptor: AphA, MAGNESIUM ION, PHOSPHATE ION, ...
Authors:Makde, R.D, Gupta, G.D, Kumar, V.
Deposit date:2005-08-29
Release date:2006-09-05
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structural and mutational analyses reveal the functional role of active-site Lys-154 and Asp-173 of Salmonella typhimurium AphA protein.
Arch.Biochem.Biophys., 464, 2007
1E5V
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BU of 1e5v by Molmil
OXIDIZED DMSO REDUCTASE EXPOSED TO HEPES BUFFER
Descriptor: 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, Dimethyl sulfoxide/trimethylamine N-oxide reductase, MOLYBDENUM (IV)OXIDE, ...
Authors:Bailey, S, Bennett, B, Adams, B, Smith, A.T, Bray, R.C.
Deposit date:2000-08-03
Release date:2000-08-25
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Reversible Dissociation of Thiolate Ligands from Molybdenum in an Enzyme of the Dimethyl Sulfoxide Reductase Family
Biochemistry, 39, 2000
2ASF
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BU of 2asf by Molmil
Crystal structure of the conserved hypothetical protein Rv2074 from Mycobacterium tuberculosis 1.6 A
Descriptor: CITRIC ACID, Hypothetical protein Rv2074, SODIUM ION
Authors:Biswal, B.K, Au, K, Cherney, M.M, Garen, C, James, M.N, TB Structural Genomics Consortium (TBSGC)
Deposit date:2005-08-23
Release date:2005-10-11
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:The molecular structure of Rv2074, a probable pyridoxine 5'-phosphate oxidase from Mycobacterium tuberculosis, at 1.6 angstroms resolution.
Acta Crystallogr.,Sect.F, 62, 2006
2B9X
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BU of 2b9x by Molmil
Crystal Structure of CLA-producing fatty acid isomerase from P. acnes
Descriptor: DODECAETHYLENE GLYCOL, FLAVIN-ADENINE DINUCLEOTIDE, IODIDE ION, ...
Authors:Rudolph, M.G, Liavonchanka, A.
Deposit date:2005-10-13
Release date:2006-01-31
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Structure and mechanism of the Propionibacterium acnes polyunsaturated fatty acid isomerase
Proc.Natl.Acad.Sci.Usa, 103, 2006
4HMD
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BU of 4hmd by Molmil
Crystal structure of cold-adapted chitinase from Moritella marina with a reaction intermediate - oxazolinium ion (NGO)
Descriptor: 2-METHYL-4,5-DIHYDRO-(1,2-DIDEOXY-ALPHA-D-GLUCOPYRANOSO)[2,1-D]-1,3-OXAZOLE, 2-acetamido-2-deoxy-beta-D-glucopyranose, Chitinase 60, ...
Authors:Malecki, P.H, Vorgias, C.E, Raczynska, J.E, Rypniewski, W.
Deposit date:2012-10-18
Release date:2013-05-01
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Structure of a complete four-domain chitinase from Moritella marina, a marine psychrophilic bacterium
Acta Crystallogr.,Sect.D, 69, 2013
4HME
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BU of 4hme by Molmil
Crystal structure of cold-adapted chitinase from Moritella marina with a reaction product - NAG2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Chitinase 60, GLYCEROL, ...
Authors:Malecki, P.H, Vorgias, C.E, Raczynska, J.E, Rypniewski, W.
Deposit date:2012-10-18
Release date:2013-05-01
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Structure of a complete four-domain chitinase from Moritella marina, a marine psychrophilic bacterium
Acta Crystallogr.,Sect.D, 69, 2013
4HQO
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BU of 4hqo by Molmil
Crystal structure of Plasmodium vivax TRAP protein
Descriptor: CHLORIDE ION, MAGNESIUM ION, SODIUM ION, ...
Authors:Song, G, Koksal, A.C, Lu, C, Springer, T.A.
Deposit date:2012-10-25
Release date:2012-12-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.194 Å)
Cite:Shape change in the receptor for gliding motility in Plasmodium sporozoites.
Proc.Natl.Acad.Sci.USA, 109, 2012
4LOR
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BU of 4lor by Molmil
C1s CUB1-EGF-CUB2 in complex with a collagen-like peptide from C1q
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Complement C1s subcomponent heavy chain, ...
Authors:Wallis, R, Venkatraman Girija, U, Moody, P.C.E, Marshall, J.E.
Deposit date:2013-07-13
Release date:2013-08-07
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis of the C1q/C1s interaction and its central role in assembly of the C1 complex of complement activation.
Proc.Natl.Acad.Sci.USA, 110, 2013

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数据于2024-07-17公开中

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