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3I1U
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Carboxypeptidase A Inhibited by a Thiirane Mechanism-Based inactivator
分子名称: (2S,3R)-2-benzyl-3-sulfanylbutanoic acid, Carboxypeptidase A1 (Pancreatic), GLYCEROL, ...
著者Fernandez, D.
登録日2009-06-28
公開日2009-11-17
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.391 Å)
主引用文献The X-ray structure of carboxypeptidase A inhibited by a thiirane mechanism-based inhibitor
Chem.Biol.Drug Des., 75, 2010
3HV6
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BU of 3hv6 by Molmil
Human p38 MAP Kinase in Complex with RL39
分子名称: 1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)phenyl]urea, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside
著者Gruetter, C, Simard, J.R, Getlik, M, Rauh, D.
登録日2009-06-15
公開日2009-11-17
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Displacement assay for the detection of stabilizers of inactive kinase conformations.
J.Med.Chem., 53, 2010
3I28
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BU of 3i28 by Molmil
Crystal Structure of soluble epoxide Hydrolase
分子名称: 4-cyano-N-{(3S)-3-(4-fluorophenyl)-3-[4-(methylsulfonyl)phenyl]propyl}benzamide, Epoxide hydrolase 2
著者Farrow, N.A.
登録日2009-06-29
公開日2009-10-13
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structure-based optimization of arylamides as inhibitors of soluble epoxide hydrolase.
J.Med.Chem., 52, 2009
3I4X
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BU of 3i4x by Molmil
Crystal structure of the dimethylallyl tryptophan synthase FgaPT2 from Aspergillus fumigatus in complex with Trp and DMSPP
分子名称: DIMETHYLALLYL S-THIOLODIPHOSPHATE, GLYCEROL, TRYPTOPHAN, ...
著者Schall, C, Zocher, G, Stehle, T.
登録日2009-07-03
公開日2009-09-01
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The structure of dimethylallyl tryptophan synthase reveals a common architecture of aromatic prenyltransferases in fungi and bacteria
Proc.Natl.Acad.Sci.USA, 106, 2009
3HWU
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BU of 3hwu by Molmil
Crystal structure of Putative DNA-binding protein (YP_299413.1) from Ralstonia eutrophA JMP134 at 1.30 A resolution
分子名称: Putative DNA-binding protein
著者Joint Center for Structural Genomics (JCSG)
登録日2009-06-18
公開日2009-06-30
最終更新日2023-02-01
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Crystal structure of Putative DNA-binding protein (YP_299413.1) from Ralstonia eutropha JMP134 at 1.30 A resolution
To be published
3HZX
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Crystal Structure of Staphylococcal nuclease variant D+PHS/V66K at pH 9 determined at 100 K
分子名称: CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease
著者Schlessman, J.L, De Luca-Westrate, J.N, Garcia-Moreno, B.E.
登録日2009-06-24
公開日2010-05-19
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure of Staphylococcal nuclease D+PHS/V66K reveals internal hydration in protein cavity
To be Published
3I09
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BU of 3i09 by Molmil
CRYSTAL STRUCTURE OF A PERIPLASMIC BINDING PROTEIN (BMA2936) FROM BURKHOLDERIA MALLEI AT 1.80 A RESOLUTION
分子名称: 1,2-ETHANEDIOL, ACETOACETIC ACID, CITRIC ACID, ...
著者Joint Center for Structural Genomics (JCSG)
登録日2009-06-24
公開日2009-07-21
最終更新日2023-02-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of Periplasmic Binding Protein BMA293 (YP_104442.1) from Burkholderia mallei ATCC 23344 at 1.80 A resolution
To be published
3I14
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Cobalt-substituted metallo-beta-lactamase from Bacillus cereus: residue Cys168 partially oxidized
分子名称: Beta-lactamase 2, COBALT (II) ION, GLYCEROL
著者Gonzalez, J.M, Buschiazzo, A, Vila, A.J.
登録日2009-06-25
公開日2009-12-29
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Evidence of adaptability in metal coordination geometry and active-site loop conformation among B1 metallo-beta-lactamases .
Biochemistry, 49, 2010
3HS9
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Intersectin 1-peptide-AP2 beta ear complex
分子名称: AP-2 complex subunit beta-1, peptide from Intersectin-1, residues 841-851
著者Vahedi-Faridi, A, Pechstein, A, Schaefer, J.G, Saenger, W, Haucke, V.
登録日2009-06-10
公開日2010-02-23
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Regulation of synaptic vesicle recycling by complex formation between intersectin 1 and the clathrin adaptor complex AP2.
Proc.Natl.Acad.Sci.USA, 107, 2010
3HSD
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BU of 3hsd by Molmil
Crystal structure of E. coli HPPK(Y53A)
分子名称: CHLORIDE ION, GLYCEROL, HPPK, ...
著者Blaszczyk, J, Li, Y, Yan, H, Ji, X.
登録日2009-06-10
公開日2010-06-23
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.652 Å)
主引用文献Pterin-binding site mutation Y53A, N55A or F123A and activity of E. coli HPPK.
To be Published
3HSK
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BU of 3hsk by Molmil
Crystal Structure of Aspartate Semialdehyde Dehydrogenase with NADP from Candida albicans
分子名称: Aspartate-semialdehyde dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Arachea, B.T, Pavlovsky, A, Liu, X, Viola, R.E.
登録日2009-06-10
公開日2010-02-02
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Expansion of the aspartate beta-semialdehyde dehydrogenase family: the first structure of a fungal ortholog.
Acta Crystallogr.,Sect.D, 66, 2010
3HTV
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BU of 3htv by Molmil
Crystal structure of D-allose kinase (NP_418508.1) from ESCHERICHIA COLI K12 at 1.95 A resolution
分子名称: D-allose kinase
著者Joint Center for Structural Genomics (JCSG)
登録日2009-06-12
公開日2009-06-23
最終更新日2023-02-01
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystal structure of D-allose kinase (NP_418508.1) from ESCHERICHIA COLI K12 at 1.95 A resolution
To be published
3I41
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BU of 3i41 by Molmil
Crystal structure of beta toxin from Staphylococcus aureus F277A, P278A mutant
分子名称: Beta-hemolysin
著者Huseby, M, Shi, K, Kruse, A.C, Ohlendorf, D.H.
登録日2009-07-01
公開日2010-07-14
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structure and biological functions of beta toxin from Staphylococcus aureus: Role of the hydrophobic beta hairpin in virulence
to be published
3I48
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Crystal structure of beta toxin from Staphylococcus aureus F277A, P278A mutant with bound magnesium ions
分子名称: Beta-hemolysin, MAGNESIUM ION, PHOSPHATE ION
著者Huseby, M, Shi, K, Kruse, A.C, Ohlendorf, D.H.
登録日2009-07-01
公開日2010-07-14
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure and biological functions of beta toxin from Staphylococcus aureus: Role of the hydrophobic beta hairpin in virulence
to be published, 2009
3HV3
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Human p38 MAP Kinase in Complex with RL49
分子名称: 1-{4-[(6-aminoquinolin-4-yl)amino]phenyl}-3-[3-tert-butyl-1-(3-methylphenyl)-1H-pyrazol-5-yl]urea, GLYCEROL, Mitogen-activated protein kinase 14, ...
著者Gruetter, C, Simard, J.R, Getlik, M, Rauh, D.
登録日2009-06-15
公開日2009-11-17
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Displacement assay for the detection of stabilizers of inactive kinase conformations.
J.Med.Chem., 53, 2010
3HNE
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BU of 3hne by Molmil
Crystal structure of human ribonucleotide reductase 1 bound to the effectors TTP and ATP
分子名称: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Ribonucleoside-diphosphate reductase large subunit, ...
著者Fairman, J.W, Wijerathna, S.R, Xu, H, Dealwis, C.G.
登録日2009-05-31
公開日2011-02-23
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (3.11 Å)
主引用文献Structural basis for allosteric regulation of human ribonucleotide reductase by nucleotide-induced oligomerization.
Nat.Struct.Mol.Biol., 18, 2011
3HXY
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Crystal Structure of catalytic fragment of E. coli AlaRS in complex with AMPPCP, Ala-AMP and PCP
分子名称: 2-HYDROXYETHYL DISULFIDE, 5'-O-[(R)-{[(2S)-2-aminopropanoyl]oxy}(hydroxy)phosphoryl]adenosine, Alanyl-tRNA synthetase, ...
著者Guo, M, Yang, X.-L, Schimmel, P.
登録日2009-06-22
公開日2009-12-15
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Paradox of mistranslation of serine for alanine caused by AlaRS recognition dilemma.
Nature, 462, 2009
3HOI
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BU of 3hoi by Molmil
Crystal structure of FMN-dependent nitroreductase BF3017 from Bacteroides fragilis NCTC 9343 (YP_212631.1) from Bacteroides fragilis NCTC 9343 at 1.55 A resolution
分子名称: CITRATE ANION, DI(HYDROXYETHYL)ETHER, FLAVIN MONONUCLEOTIDE, ...
著者Joint Center for Structural Genomics (JCSG)
登録日2009-06-02
公開日2009-06-23
最終更新日2023-02-01
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Crystal structure of FMN-dependent nitroreductase BF3017 from Bacteroides fragilis NCTC 9343 (YP_212631.1) from Bacteroides fragilis NCTC 9343 at 1.55 A resolution
To be published
3HM8
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BU of 3hm8 by Molmil
Crystal structure of the C-terminal Hexokinase domain of human HK3
分子名称: 6-O-phosphono-beta-D-glucopyranose, Hexokinase-3, alpha-D-glucopyranose
著者Nedyalkova, L, Tong, Y, Rabeh, W, Tempel, W, Landry, R, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC)
登録日2009-05-28
公開日2009-08-11
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structure of the C-terminal Hexokinase domain of human HK3
To be Published
3HNL
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Crystal structure of the Cu-induced dimer of the engineered cyt cb562 variant RIDC-1
分子名称: CHLORIDE ION, COPPER (II) ION, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Salgado, E.N, Lewis, R.A, Brodin, J, Tezcan, F.A.
登録日2009-05-31
公開日2010-02-09
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Metal templated design of protein interfaces.
Proc.Natl.Acad.Sci.USA, 107, 2010
3HVY
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Crystal structure of putative cystathionine beta-lyase involved in aluminum resistance (NP_348457.1) from Clostridium acetobutylicum at 2.00 A resolution
分子名称: 1,2-ETHANEDIOL, Cystathionine beta-lyase family protein, YNBB B.subtilis ortholog, ...
著者Joint Center for Structural Genomics (JCSG)
登録日2009-06-16
公開日2009-06-30
最終更新日2023-02-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of putative cystathionine beta-lyase involved in aluminum resistance (NP_348457.1) from Clostridium acetobutylicum at 2.00 A resolution
To be published
3HUC
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BU of 3huc by Molmil
Human p38 MAP Kinase in Complex with RL40
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Mitogen-activated protein kinase 14, N-[2-phenyl-4-(1H-pyrazol-3-ylamino)quinazolin-7-yl]prop-2-enamide, ...
著者Gruetter, C, Simard, J.R, Getlik, M, Rauh, D.
登録日2009-06-13
公開日2010-03-09
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Fluorophore labeling of the glycine-rich loop as a method of identifying inhibitors that bind to active and inactive kinase conformations.
J.Am.Chem.Soc., 132, 2010
3HXV
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Crystal Structure of catalytic fragment of E. coli AlaRS in complex with GlySA
分子名称: 2-HYDROXYETHYL DISULFIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5'-O-(glycylsulfamoyl)adenosine, ...
著者Guo, M, Yang, X.-L, Schimmel, P.
登録日2009-06-22
公開日2009-12-15
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Paradox of mistranslation of serine for alanine caused by AlaRS recognition dilemma.
Nature, 462, 2009
3HV7
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Human p38 MAP Kinase in Complex with RL38
分子名称: 1-[1-(3-aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl]-3-naphthalen-1-ylurea, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside
著者Gruetter, C, Simard, J.R, Getlik, M, Rauh, D.
登録日2009-06-15
公開日2009-11-17
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Displacement assay for the detection of stabilizers of inactive kinase conformations.
J.Med.Chem., 53, 2010
3HX8
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Crystal structure of putative ketosteroid isomerase (NP_103587.1) from Mesorhizobium loti at 1.45 A resolution
分子名称: IMIDAZOLE, TETRAETHYLENE GLYCOL, UNKNOWN LIGAND, ...
著者Joint Center for Structural Genomics (JCSG)
登録日2009-06-19
公開日2009-07-07
最終更新日2023-02-01
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Crystal structure of putative ketosteroid isomerase (NP_103587.1) from MESORHIZOBIUM LOTI at 1.45 A resolution
To be published

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