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3UAJ
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BU of 3uaj by Molmil
Crystal structure of the envelope glycoprotein ectodomain from dengue virus serotype 4 in complex with the fab fragment of the chimpanzee monoclonal antibody 5H2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain, monoclonal antibody 5H2, ...
著者Cockburn, J.J.B, Stura, E.A, Navarro-Sanchez, M.E, Rey, F.A.
登録日2011-10-21
公開日2011-12-14
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (3.232 Å)
主引用文献Structural insights into the neutralization mechanism of a higher primate antibody against dengue virus.
Embo J., 31, 2012
3TRV
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BU of 3trv by Molmil
Crystal structure of quasiracemic villin headpiece subdomain containing (F5Phe17) substitution
分子名称: D-Villin-1, ISOPROPYL ALCOHOL, L-Villin-1, ...
著者Mortenson, D.E, Satyshur, K.A, Gellman, S.H, Forest, K.T.
登録日2011-09-11
公開日2012-01-25
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Quasiracemic crystallization as a tool to assess the accommodation of noncanonical residues in nativelike protein conformations.
J.Am.Chem.Soc., 134, 2012
3TRY
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BU of 3try by Molmil
Crystal structure of racemic villin headpiece subdomain in space group I-4c2
分子名称: D-Villin-1, SULFATE ION
著者Mortenson, D.E, Satyshur, K.A, Gellman, S.H, Forest, K.T.
登録日2011-09-11
公開日2012-01-25
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Quasiracemic crystallization as a tool to assess the accommodation of noncanonical residues in nativelike protein conformations.
J.Am.Chem.Soc., 134, 2012
3TTD
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BU of 3ttd by Molmil
Crystal structure of E. coli HypF with AMP-CPP and carbamoyl phosphate
分子名称: MAGNESIUM ION, Transcriptional regulatory protein, ZINC ION
著者Petkun, S, Shi, R, Li, Y, Cygler, M.
登録日2011-09-14
公開日2011-12-28
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure of Hydrogenase Maturation Protein HypF with Reaction Intermediates Shows Two Active Sites.
Structure, 19, 2011
3TLV
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BU of 3tlv by Molmil
The GLIC pentameric Ligand-Gated Ion Channel Loop2-22' oxidized mutant in a locally-closed conformation (LC3 subtype)
分子名称: CHLORIDE ION, DODECYL-BETA-D-MALTOSIDE, Glr4197 protein
著者Sauguet, L, Nury, H, Corringer, P.J, Delarue, M.
登録日2011-08-30
公開日2012-05-16
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献A locally closed conformation of a bacterial pentameric proton-gated ion channel.
Nat.Struct.Mol.Biol., 19, 2012
3TNI
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BU of 3tni by Molmil
structure of CDK9/cyclin T F241L
分子名称: Cyclin-T1, Cyclin-dependent kinase 9
著者Baumli, S, Hole, A.J, Endicott, J.A.
登録日2011-09-01
公開日2012-02-15
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (3.234 Å)
主引用文献The CDK9 C-helix Exhibits Conformational Plasticity That May Explain the Selectivity of CAN508.
Acs Chem.Biol., 7, 2012
3TVZ
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BU of 3tvz by Molmil
Structure of Bacillus subtilis HmoB
分子名称: Putative uncharacterized protein yhgC
著者Choe, J, Choi, S, Park, S.
登録日2011-09-21
公開日2012-07-11
最終更新日2019-10-09
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Bacillus subtilis HmoB is a heme oxygenase with a novel structure.
Bmb Rep, 45, 2012
3TPW
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BU of 3tpw by Molmil
CRYSTAL STRUCTURE OF M-PMV DUTPASE - DUPNPP complex revealing distorted ligand geometry (approach intermediate)
分子名称: 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DEOXYURIDINE 5'-TRIPHOSPHATE NUCLEOTIDO HYDROLASE, ...
著者Barabas, O, Nemeth, V, Vertessy, B.G.
登録日2011-09-08
公開日2011-10-05
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structural Snapshots of Enzyme-Catalysed Phosphate Ester Hydrolysis Directly Visualize In-line Attack and Inversion
to be published
3SA3
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BU of 3sa3 by Molmil
Crystal structure of wild-type HIV-1 protease in complex with AG23
分子名称: ACETATE ION, N~2~-acetyl-N-[(2S,3R)-4-{(1,3-benzothiazol-6-ylsulfonyl)[(2S)-2-methylbutyl]amino}-3-hydroxy-1-phenylbutan-2-yl]-L-isoleucinamide, PHOSPHATE ION, ...
著者Schiffer, C.A, Nalam, M.N.L.
登録日2011-06-02
公開日2012-06-06
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Protease Inhibitors that protrude out from substrate envelope are more susceptible to developing drug resistance
To be Published
3SAB
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BU of 3sab by Molmil
Crystal structure of wild-type HIV-1 protease in complex with AF78
分子名称: 3-hydroxy-N-[(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](3-phenylpropyl)amino}-1-phenylbutan-2-yl]benzamide, PHOSPHATE ION, Protease
著者Schiffer, C.A, Nalam, M.N.L.
登録日2011-06-02
公開日2012-06-06
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Protease Inhibitors that protrude out from substrate envelope are more susceptible to developing drug resistance
To be Published
3SD2
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BU of 3sd2 by Molmil
Crystal structure of a putative member of duf3244 protein family (BT_3571) from Bacteroides thetaiotaomicron vpi-5482 at 1.40 A resolution
分子名称: Putative member of DUF3244 protein family
著者Joint Center for Structural Genomics (JCSG)
登録日2011-06-08
公開日2011-06-29
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Crystal structure of a Putative member of DUF3244 protein family (BT_3571) from Bacteroides thetaiotaomicron VPI-5482 at 1.40 A resolution
To be published
3SEK
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BU of 3sek by Molmil
Crystal Structure of the Myostatin:Follistatin-like 3 Complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Follistatin-related protein 3, Growth/differentiation factor 8
著者Cash, J.N, Thompson, T.B.
登録日2011-06-10
公開日2011-11-02
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.401 Å)
主引用文献Structure of myostatinfollistatin-like 3: N-terminal domains of follistatin-type molecules exhibit alternate modes of binding.
J.Biol.Chem., 287, 2012
3SDI
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BU of 3sdi by Molmil
Structure of yeast 20S open-gate proteasome with Compound 20
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, MAGNESIUM ION, N~4~-(2,2-dimethylpropyl)-N~1~-{(2S)-1-[(4-methylbenzyl)amino]-1-oxo-4-phenylbutan-2-yl}-N~2~-[(5-methyl-1,2-oxazol-3-yl)carbonyl]-L-aspartamide, ...
著者Sintchak, M.D.
登録日2011-06-09
公開日2012-06-13
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Optimization of a series of dipeptides with a P3 threonine residue as non-covalent inhibitors of the chymotrypsin-like activity of the human 20S proteasome.
Bioorg.Med.Chem.Lett., 20, 2010
3SFG
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BU of 3sfg by Molmil
crystal structure of murine norovirus RNA dependent RNA polymerase in complex with 2thiouridine(2TU)
分子名称: 1-(beta-D-ribofuranosyl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one, GLYCEROL, MAGNESIUM ION, ...
著者Kim, K.H, Alam, I.
登録日2011-06-13
公開日2012-05-09
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.209 Å)
主引用文献Crystal structures of murine norovirus-1 RNA-dependent RNA polymerase in complex with 2-thiouridine or ribavirin.
Virology, 426, 2012
3S9T
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BU of 3s9t by Molmil
Crystal structure of human carbonic anhydrase isozyme II with 2-chloro-5-{[(4,6-dimethyl-2-pyrimidinyl)sulfanyl]acetyl}benzenesulfonamide
分子名称: 2-chloro-5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide, BICINE, Carbonic anhydrase 2, ...
著者Grazulis, S, Manakova, E, Tamulaitiene, G.
登録日2011-06-02
公開日2012-04-18
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Design of [(2-pyrimidinylthio)acetyl]benzenesulfonamides as inhibitors of human carbonic anhydrases.
Eur.J.Med.Chem., 51, 2012
3SA2
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BU of 3sa2 by Molmil
Bacuills anthracis Dihydrofolate Reductase bound propargyl-linked TMP analog, UCP1014
分子名称: 6-ethyl-5-[3-(5-methoxybiphenyl-3-yl)prop-1-yn-1-yl]pyrimidine-2,4-diamine, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Anderson, A.C, Beierlein, J.M.
登録日2011-06-02
公開日2012-06-13
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献SAR studies of heterocyclic propargyl-linked TMP analogs to Bacillus dihydrofolate reductase
to be published
3SAA
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BU of 3saa by Molmil
Crystal structure of Wild-type HIV-1 protease in complex With AF77
分子名称: N-[(2S,3R)-4-{(cyclohexylmethyl)[(4-methoxyphenyl)sulfonyl]amino}-3-hydroxy-1-phenylbutan-2-yl]-3-hydroxybenzamide, PHOSPHATE ION, Protease
著者Schiffer, C.A, Nalam, M.N.L.
登録日2011-06-02
公開日2012-06-06
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Protease Inhibitors that protrude out from substrate envelope are more susceptible to developing drug resistance
To be Published
3SB6
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BU of 3sb6 by Molmil
Cu-mediated Dimer of T4 Lysozyme D61H/K65H/R76H/R80H by Synthetic Symmetrization
分子名称: CHLORIDE ION, COPPER (II) ION, Lysozyme
著者Soriaga, A.B, Laganowsky, A, Zhao, M, Sawaya, M.R, Cascio, D, Yeates, T.O.
登録日2011-06-03
公開日2011-09-21
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献An approach to crystallizing proteins by metal-mediated synthetic symmetrization.
Protein Sci., 20, 2011
3SHP
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BU of 3shp by Molmil
Crystal structure of putative acetyltransferase from Sphaerobacter thermophilus DSM 20745
分子名称: Putative acetyltransferase Sthe_0691, S,R MESO-TARTARIC ACID
著者Chang, C, Li, H, Clancy, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2011-06-16
公開日2011-07-06
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Crystal structure of putative acetyltransferase from Sphaerobacter thermophilus DSM 20745
To be Published
3SI2
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BU of 3si2 by Molmil
Structure of glycosylated murine glutaminyl cyclase in presence of the inhibitor PQ50 (PDBD150)
分子名称: 1-(3,4-dimethoxyphenyl)-3-[3-(1H-imidazol-1-yl)propyl]thiourea, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ...
著者Parthier, C, Carrillo, D, Stubbs, M.T.
登録日2011-06-17
公開日2011-06-29
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structures of Glycosylated Mammalian Glutaminyl Cyclases Reveal Conformational Variability near the Active Center.
Biochemistry, 50, 2011
3SIE
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BU of 3sie by Molmil
Crystal structure of the PDE5A1 catalytic domain in complex with novel inhibitors
分子名称: 5-bromo-6-ethyl-2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}pyrimidin-4(3H)-one, cGMP-specific 3',5'-cyclic phosphodiesterase
著者Chen, T.T, Chen, T, Xu, Y.C.
登録日2011-06-17
公開日2011-08-24
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Utilization of Halogen Bond in Lead Optimization: A Case Study of Rational Design of Potent Phosphodiesterase Type 5 (PDE5) Inhibitors.
J.Med.Chem., 54, 2011
3SK9
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BU of 3sk9 by Molmil
Crystal structure of the Thermus thermophilus cas3 HD domain
分子名称: Putative uncharacterized protein TTHB187
著者Bailey, S, Mulepati, S.
登録日2011-06-22
公開日2011-07-20
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural and Biochemical Analysis of Nuclease Domain of Clustered Regularly Interspaced Short Palindromic Repeat (CRISPR)-associated Protein 3 (Cas3).
J.Biol.Chem., 286, 2011
3SGW
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BU of 3sgw by Molmil
Crystal structure of ribose-5-phosphate isomerase B RpiB from Coccidioides immitis semi-covalently bound to malonic acid
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, MALONIC ACID, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2011-06-15
公開日2011-06-29
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural characterization of a ribose-5-phosphate isomerase B from the pathogenic fungus Coccidioides immitis.
Bmc Struct.Biol., 11, 2011
3SHL
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BU of 3shl by Molmil
Crystal structure of Staphylococcal nuclease variant Delta+PHS V74KL25A at cryogenic temperature
分子名称: CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease
著者Caro, J.A, Sue, G, Schlessman, J.L, Heroux, A, Garcia-Moreno E, B.
登録日2011-06-16
公開日2011-06-29
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Redirection of internal ionizable residues by engineered cavities
To be Published
3SL5
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BU of 3sl5 by Molmil
Crystal structure of the catalytic domain of PDE4D2 complexed with compound 10d
分子名称: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DIMETHYL SULFOXIDE, ...
著者Feil, S.F.
登録日2011-06-24
公開日2011-10-26
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Thiophene inhibitors of PDE4: Crystal structures show a second binding mode at the catalytic domain of PDE4D2.
Bioorg.Med.Chem.Lett., 21, 2011

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件を2024-11-06に公開中

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