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3SMP
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BU of 3smp by Molmil
Monoclinic crystal structure of human pantothenate kinase 1 alpha
分子名称: ACETYL COENZYME *A, ARSENIC, CHLORIDE ION, ...
著者Guan, X, Tempel, W, Hong, B, Wernimont, A.K, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Park, H, Structural Genomics Consortium (SGC)
登録日2011-06-28
公開日2011-07-20
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Monoclinic crystal structure of human pantothenate kinase 1 alpha
to be published
3SNH
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BU of 3snh by Molmil
Crystal structure of nucleotide-free human dynamin1
分子名称: Dynamin-1
著者Faelber, K, Daumke, O.
登録日2011-06-29
公開日2011-09-21
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3.7 Å)
主引用文献Crystal structure of nucleotide-free dynamin.
Nature, 477, 2011
3S3B
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BU of 3s3b by Molmil
Structure of Thermus thermophilus cytochrome ba3 oxidase 240s after Xe depressurization
分子名称: COPPER (II) ION, Cytochrome c oxidase polypeptide 2A, Cytochrome c oxidase subunit 1, ...
著者Luna, V.M, Fee, J.A, Deniz, A.A, Stout, C.D.
登録日2011-05-18
公開日2012-05-23
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Mobility of Xe atoms within the oxygen diffusion channel of cytochrome ba(3) oxidase.
Biochemistry, 51, 2012
3S4K
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BU of 3s4k by Molmil
Structure of a putative esterase Rv1847/MT1895 from Mycobacterium tuberculosis
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Putative esterase Rv1847/MT1895, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2011-05-19
公開日2011-06-01
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure of a putative esterase Rv1847/MT1895 from Mycobacterium tuberculosis
To be Published
3S4S
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BU of 3s4s by Molmil
Crystal structure of CD4 mutant bound to HLA-DR1
分子名称: GLYCEROL, HLA class II histocompatibility antigen, DR alpha chain, ...
著者Li, Y.
登録日2011-05-20
公開日2011-09-21
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Affinity maturation of human CD4 by yeast surface display and crystal structure of a CD4-HLA-DR1 complex.
Proc.Natl.Acad.Sci.USA, 108, 2011
3S73
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BU of 3s73 by Molmil
The origin of the hydrophobic effect in the molecular recognition of arylsulfonamides by carbonic anhydrase
分子名称: 1,3-benzothiazole-2-sulfonamide, Carbonic anhydrase 2, ZINC ION
著者Snyder, P.W, Heroux, A, Whitesides, G.W.
登録日2011-05-26
公開日2011-12-21
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Mechanism of the hydrophobic effect in the biomolecular recognition of arylsulfonamides by carbonic anhydrase.
Proc.Natl.Acad.Sci.USA, 108, 2011
3S6B
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BU of 3s6b by Molmil
Crystal structure of methionine aminopeptidase 1b from Plasmodium Falciparum, PF10_0150
分子名称: FE (III) ION, GLYCEROL, Methionine aminopeptidase
著者Wernimont, A.K, Artz, J.D, Crombet, L, Lew, J, Weadge, J, Tempel, W, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Hui, R, Hills, T, Structural Genomics Consortium (SGC)
登録日2011-05-25
公開日2011-06-29
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystal structure of methionine aminopeptidase 1b from Plasmodium Falciparum, PF10_0150
To be Published
3S86
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BU of 3s86 by Molmil
Crystal Structure of TM0159 with bound IMP
分子名称: INOSINIC ACID, Nucleoside-triphosphatase, SULFATE ION
著者Sommerhalter, M, Smith, C, Awwad, K, Desai, A.
登録日2011-05-27
公開日2012-06-06
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structural and functional characterization of a noncanonical nucleoside triphosphate pyrophosphatase from Thermotoga maritima.
Acta Crystallogr.,Sect.D, 69, 2013
3S71
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BU of 3s71 by Molmil
The origin of the hydrophobic effect in the molecular recognition of arylsulfonamides by carbonic anhydrase
分子名称: 1-benzofuran-2-sulfonamide, Carbonic anhydrase 2, ZINC ION
著者Snyder, P.W, Heroux, A, Whitesides, G.W.
登録日2011-05-26
公開日2011-10-19
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Mechanism of the hydrophobic effect in the biomolecular recognition of arylsulfonamides by carbonic anhydrase.
Proc.Natl.Acad.Sci.USA, 108, 2011
3S8X
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BU of 3s8x by Molmil
Crystal structure of human carbonic anhydrase isozyme II with 4-{[(4-methyl-6-oxo-1,6-dihydro-2-pyrimidinyl)sulfanyl]acetyl}benzenesulfonamide
分子名称: 4-{[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide, BICINE, Carbonic anhydrase 2, ...
著者Grazulis, S, Manakova, E, Tamulaitiene, G.
登録日2011-05-31
公開日2012-04-11
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
3SA7
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BU of 3sa7 by Molmil
Crystal structure of wild-type HIV-1 protease in complex with AF55
分子名称: N~2~-acetyl-N-[(2S,3R)-4-{(1,3-benzothiazol-6-ylsulfonyl)[(2S)-2-methylbutyl]amino}-3-hydroxy-1-phenylbutan-2-yl]-L-leucinamide, 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
3SAF
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BU of 3saf by Molmil
Crystal structure of the human RRP6 catalytic domain with D313N mutation in the active site
分子名称: Exosome component 10, MAGNESIUM ION, YTTRIUM (III) ION
著者Januszyk, K, Liu, Q, Lima, C.D.
登録日2011-06-02
公開日2011-07-06
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Activities of human RRP6 and structure of the human RRP6 catalytic domain.
Rna, 17, 2011
3SA8
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BU of 3sa8 by Molmil
Crystal structure of wild-type HIV-1 protease in complex with KB83
分子名称: 3-hydroxy-N-[(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]benzamide, ACETATE ION, 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 (1.5 Å)
主引用文献Protease Inhibitors that protrude out from substrate envelope are more susceptible to developing drug resistance
To be Published
3SAG
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BU of 3sag by Molmil
Crystal structure of the human RRP6 catalytic domain with D313N mutation in the active site
分子名称: Exosome component 10, MAGNESIUM ION, YTTRIUM (III) ION
著者Januszyk, K, Liu, Q, Lima, C.D.
登録日2011-06-02
公開日2011-07-06
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Activities of human RRP6 and structure of the human RRP6 catalytic domain.
Rna, 17, 2011
3SBX
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BU of 3sbx by Molmil
Crystal structure of a putative uncharacterized protein from Mycobacterium marinum bound to adenosine 5'-monophosphate AMP
分子名称: ADENOSINE MONOPHOSPHATE, Putative uncharacterized protein
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2011-06-06
公開日2011-06-15
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
3SB8
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BU of 3sb8 by Molmil
Cu-mediated Dimer of T4 Lysozyme D61H/K65H by Synthetic Symmetrization
分子名称: 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 (2.65 Å)
主引用文献An approach to crystallizing proteins by metal-mediated synthetic symmetrization.
Protein Sci., 20, 2011
3SC0
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BU of 3sc0 by Molmil
Crystal Structure of MMACHC (1-238), a human B12 processing enzyme, complexed with MethylCobalamin
分子名称: CO-METHYLCOBALAMIN, Methylmalonic aciduria and homocystinuria type C protein
著者Koutmos, M, Gherasim, C, Smith, J.L, Banerjee, R.
登録日2011-06-06
公開日2011-06-22
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural basis of multifunctionality in a vitamin B12-processing enzyme.
J.Biol.Chem., 286, 2011
3SD0
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BU of 3sd0 by Molmil
Identification of a Glycogen Synthase Kinase-3b Inhibitor that Attenuates Hyperactivity in CLOCK Mutant Mice
分子名称: 3-(5-fluoro-6-iodo-1-methyl-1H-indol-3-yl)-4-(7-methoxy-1-benzofuran-3-yl)-1H-pyrrole-2,5-dione, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Glycogen synthase kinase-3 beta
著者Mesecar, A.M, Walters, R.L.
登録日2011-06-08
公開日2011-08-03
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Identification of a Glycogen Synthase Kinase-3b Inhibitor that Attenuates Hyperactivity in CLOCK Mutant Mice
To be Published
3SDK
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BU of 3sdk by Molmil
Structure of yeast 20S open-gate proteasome with Compound 34
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, MAGNESIUM ION, N-[(2S)-3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-({(2S)-1-[(4-methylbenzyl)amino]-1-oxo-4-phenylbutan-2-yl}amino)-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide, ...
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 (2.7 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
3SD3
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BU of 3sd3 by Molmil
The structure of the tetrahydrofolate riboswitch containing a U25C mutation
分子名称: IRIDIUM HEXAMMINE ION, N-[4-({[(6S)-2-amino-5-formyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-L-glutamic acid, Tetrahydrofolate riboswitch
著者Reyes, F.E, Trausch, J.J, Ceres, P, Batey, R.T.
登録日2011-06-08
公開日2011-09-21
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献The structure of a tetrahydrofolate-sensing riboswitch reveals two ligand binding sites in a single aptamer.
Structure, 19, 2011
3SH2
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BU of 3sh2 by Molmil
Staphylococcus aureus Dihydrofolate Reductase complexed with NADPH and 6-ethyl-5-(3-(4-methoxybiphenyl-3-yl)prop-1-ynyl)pyrimidine-2,4-diamine (UCP120J)
分子名称: 6-ethyl-5-[3-(4-methoxybiphenyl-3-yl)prop-1-yn-1-yl]pyrimidine-2,4-diamine, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Frey, K.M, Anderson, A.C.
登録日2011-06-15
公開日2012-03-07
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.999 Å)
主引用文献Toward New Therapeutics for Skin and Soft Tissue Infections: Propargyl-Linked Antifolates Are Potent Inhibitors of MRSA and Streptococcus pyogenes.
Plos One, 7, 2012
3SHY
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BU of 3shy by Molmil
Crystal structure of the PDE5A1 catalytic domain in complex with novel inhibitors
分子名称: 6-ethyl-5-fluoro-2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}pyrimidin-4(3H)-one, MAGNESIUM ION, ZINC ION, ...
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 (2.647 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
3SF0
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BU of 3sf0 by Molmil
Structure of Recombinant Haemophilus Influenzae e(P4) Acid Phosphatase mutant D64N complexed with 5'AMP
分子名称: ADENOSINE MONOPHOSPHATE, Lipoprotein E, MAGNESIUM ION
著者Singh, H.
登録日2011-06-12
公開日2011-09-28
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Structural basis of the inhibition of class C acid phosphatases by adenosine 5'-phosphorothioate.
Febs J., 278, 2011
3SIX
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BU of 3six by Molmil
Crystal structure of NodZ alpha-1,6-fucosyltransferase soaked with GDP-fucose
分子名称: CHLORIDE ION, GUANOSINE-5'-DIPHOSPHATE, Nodulation fucosyltransferase NodZ, ...
著者Brzezinski, K, Dauter, Z, Jaskolski, M.
登録日2011-06-20
公開日2012-02-08
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structures of NodZ alpha-1,6-fucosyltransferase in complex with GDP and GDP-fucose
Acta Crystallogr.,Sect.D, 68, 2012
3SGN
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BU of 3sgn by Molmil
Bromoderivative-8 of amyloid-related segment of alphaB-crystallin residues 90-100
分子名称: Alpha-crystallin B chain
著者Laganowsky, A, Sawaya, M.R, Cascio, D, Eisenberg, D.
登録日2011-06-15
公開日2012-03-21
最終更新日2025-03-26
実験手法X-RAY DIFFRACTION (2.807 Å)
主引用文献Atomic view of a toxic amyloid small oligomer.
Science, 335, 2012

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