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2ZZU
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Human Factor VIIA-Tissue Factor Complexed with ethylsulfonamide-D-5-(3-carboxybenzyloxy)-Trp-Gln-p-aminobenzamidine
分子名称: 3-[[3-[(2R)-3-[[(2S)-5-amino-1-[(4-carbamimidoylphenyl)methylamino]-1,5-dioxo-pentan-2-yl]amino]-2-(ethylsulfonylamino)-3-oxo-propyl]-1H-indol-5-yl]oxymethyl]benzoic acid, CALCIUM ION, Factor VII heavy chain, ...
著者Kadono, S, Sakamoto, A, Kikuchi, Y, Oh-Eda, M, Yabuta, N, Koga, T, Hattori, K, Shiraishi, T, Haramura, M, Sato, H, Ohta, M, Kozono, T.
登録日2009-02-25
公開日2009-03-24
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Design and synthesis of peptidomimetic factor VIIa inhibitors
Chem.Pharm.Bull., 58, 2010
2ZZC
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Crystal structure of NADP(H):human thioredoxin reductase I
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Thioredoxin reductase 1, ...
著者Lo, Y.C, Ko, T.P, Wang, A.H.J.
登録日2009-02-09
公開日2009-08-18
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Terpyridine-platinum(II) complexes are effective inhibitors of mammalian topoisomerases and human thioredoxin reductase 1.
J.Inorg.Biochem., 103, 2009
3IUT
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The Crystal Structure of Cruzain in Complex with a Tetrafluorophenoxymethyl Ketone Inhibitor
分子名称: (3S)-3-(4-{(1S)-1,2-dimethyl-1-[(quinolin-6-ylmethyl)amino]propyl}-1H-1,2,3-triazol-1-yl)heptan-2-one, 1,2-ETHANEDIOL, Cruzipain
著者Kerr, I.D, Debnath, M, Brinen, L.S.
登録日2009-08-31
公開日2010-03-02
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Nonpeptidic tetrafluorophenoxymethyl ketone cruzain inhibitors as promising new leads for chagas disease chemotherapy.
J.Med.Chem., 53, 2010
3A0I
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Human glucokinase in complex with a synthetic activator
分子名称: 3-[(4-fluorophenyl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)-6-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]pyridine-2-carboxamide, Glucokinase, SODIUM ION, ...
著者Kamata, K, Mitsuya, M.
登録日2009-03-19
公開日2009-04-28
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Discovery of novel 3,6-disubstituted 2-pyridinecarboxamide derivatives as GK activators
Bioorg.Med.Chem.Lett., 19, 2009
3IVI
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Design and Synthesis of Potent BACE-1 Inhibitors with Cellular Activity: Structure-Activity Relationship of P1 Substituents
分子名称: Beta-secretase 1, GLYCEROL, N-[(1S,2R)-3-{[(5S)-5-(3-tert-butylphenyl)-4,5,6,7-tetrahydro-1H-indazol-5-yl]amino}-1-(3,5-difluorobenzyl)-2-hydroxypropyl]acetamide, ...
著者Pan, H.
登録日2009-09-01
公開日2010-01-05
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Design and synthesis of cell potent BACE-1 inhibitors: structure-activity relationship of P1' substituents.
Bioorg.Med.Chem.Lett., 19, 2009
3A3N
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BU of 3a3n by Molmil
Crystal structure of complex between SA-subtilisin and Tk-propeptide with deletion of the two C-terminal residues
分子名称: CALCIUM ION, Tk-subtilisin, ZINC ION
著者Tanaka, S, Matsumura, H, Koga, Y, Takano, K, Kanaya, S.
登録日2009-06-15
公開日2009-08-18
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Identification of the interactions critical for propeptide-catalyzed folding of Tk-subtilisin
J.Mol.Biol., 394, 2009
3AAU
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Bovine beta-trypsin bound to meta-diguanidino schiff base copper (II) chelate
分子名称: CALCIUM ION, COPPER (II) ION, Cationic trypsin, ...
著者Iyaguchi, D, Kawano, S, Toyota, E.
登録日2009-11-26
公開日2010-04-07
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural basis for the design of novel Schiff base metal chelate inhibitors of trypsin
Bioorg.Med.Chem., 18, 2010
2SGD
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ASP 18 VARIANT OF TURKEY OVOMUCOID INHIBITOR THIRD DOMAIN COMPLEXED WITH STREPTOMYCES GRISEUS PROTEINASE B AT PH 10.7
分子名称: Ovomucoid, PHOSPHATE ION, POTASSIUM ION, ...
著者Huang, K, Lu, W, Anderson, S, Laskowski Jr, M, James, M.N.G.
登録日1999-03-25
公開日2003-08-26
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Recruitment of a Buried K+ Ion to Stabilize the Negative Charge of Ionized P1 in the Hydrophobic Pocket: Crystal Structures of Glu18, Gln18, Asp18 and Asn18 Variants of Turkey Ovomucoid Inhibitor Third Domain Complexed with Streptomyces griseus Protease B at Various pHs
To be Published
2IUX
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Human tACE mutant g1234
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ANGIOTENSIN-CONVERTING ENZYME, ...
著者Watermeyer, J.M, Swell, B.T, Natesh, R, Corradi, H.R, Acharya, K.R, Sturrock, E.D.
登録日2006-06-07
公開日2006-10-25
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure of Testis Ace Glycosylation Mutants and Evidence for Conserved Domain Movement.
Biochemistry, 45, 2006
2SIC
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REFINED CRYSTAL STRUCTURE OF THE COMPLEX OF SUBTILISIN BPN' AND STREPTOMYCES SUBTILISIN INHIBITOR AT 1.8 ANGSTROMS RESOLUTION
分子名称: CALCIUM ION, STREPTOMYCES SUBTILISIN INHIBITOR (SSI), SUBTILISIN BPN'
著者Mitsui, Y, Takeuchi, Y, Hirono, S, Akagawa, H, Nakamura, K.T.
登録日1991-04-01
公開日1993-04-15
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Refined crystal structure of the complex of subtilisin BPN' and Streptomyces subtilisin inhibitor at 1.8 A resolution.
J.Mol.Biol., 221, 1991
3ICW
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Structure of a Circular Permutation on Lipase B from Candida Antartica with Bound Suicide Inhibitor
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Lipase B, PHOSPHATE ION, ...
著者Horton, J.R, Qian, Z, Jia, D, Lutz, S.A, Cheng, X.
登録日2009-07-18
公開日2009-10-06
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Structural redesign of lipase B from Candida antarctica by circular permutation and incremental truncation.
J.Mol.Biol., 393, 2009
2J1G
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L-ficolin complexed to N-acetyl-cystein
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, CALCIUM ION, ...
著者Garlatti, V, Gaboriaud, C.
登録日2006-08-11
公開日2007-01-23
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural Insights Into the Innate Immune Recognition Specificities of L- and H-Ficolins.
Embo J., 26, 2007
3A7T
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BU of 3a7t by Molmil
Crystal Structure of Trypsin complexed with 4-formylbenzimidamide
分子名称: 4-formylbenzenecarboximidamide, CALCIUM ION, Cationic trypsin, ...
著者Yamane, J, Yao, M, Tanaka, I.
登録日2009-10-05
公開日2010-09-29
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献In-Crystal Chemical Ligation for Drug Discovery
To be Published
3A83
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Crystal Structure of Trypsin complexed with pre-synthesized (E)-4-((2-nicotinoylhydrazono)methyl)benzimidamide
分子名称: (E)-4-((2-nicotinoylhydrazono)methyl)benzimidamide, CALCIUM ION, Cationic trypsin, ...
著者Yamane, J, Yao, M, Tanaka, I.
登録日2009-10-05
公開日2010-09-29
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献In-Crystal Chemical Ligation for Drug Discovery
To be Published
3IXK
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Potent beta-secretase 1 inhibitor
分子名称: Beta-secretase 1, N-[(2S,3S,5R)-1-[(3,5-difluorophenyl)methoxy]-3-hydroxy-5-methyl-6-[[(2S)-3-methyl-1-oxo-1-(phenylmethylamino)butan-2-yl]amino]-6-oxo-hexan-2-yl]-5-(methyl-methylsulfonyl-amino)-N'-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide
著者Borkakoti, N, Lindberg, J.D, Nystrom, S.
登録日2009-09-04
公開日2010-09-08
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Synthesis of potent BACE-1 inhibitors incorporating a hydroxyethylene isostere as central core.
Eur.J.Med.Chem., 45, 2010
2ZYB
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Crystal structure of phenylimidazo pyrazin 2 bound to the kinase domain of human LCK, (auto-phosphorylated on TYR394)
分子名称: N-(2,6-dimethylphenyl)-5-phenylimidazo[1,5-a]pyrazin-8-amine, Proto-oncogene tyrosine-protein kinase LCK, SULFATE ION
著者Tsuji, E.
登録日2009-01-19
公開日2009-02-03
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献The importance of CH/pi hydrogen bonds in rational drug design: An ab initio fragment molecular orbital study to leukocyte-specific protein tyrosine (LCK) kinase
Bioorg.Med.Chem., 16, 2008
2ZZK
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Crystal structure of tRNA wybutosine synthesizing enzyme TYW4
分子名称: CITRIC ACID, Leucine carboxyl methyltransferase 2, TETRAETHYLENE GLYCOL
著者Suzuki, Y, Noma, A, Suzuki, T, Ishitani, R, Nureki, O.
登録日2009-02-17
公開日2009-06-02
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.706 Å)
主引用文献Structural basis of tRNA modification with CO2 fixation and methylation by wybutosine synthesizing enzyme TYW4.
Nucleic Acids Res., 37, 2009
3A7S
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Catalytic domain of UCH37
分子名称: CHLORIDE ION, Ubiquitin carboxyl-terminal hydrolase isozyme L5
著者Nishio, K, Kim, S.W, Kawai, K, Mizushima, T, Yamane, T, Hamazaki, J, Murata, S, Tanaka, K.
登録日2009-10-04
公開日2009-11-03
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of the de-ubiquitinating enzyme UCH37 (human UCH-L5) catalytic domain
Biochem.Biophys.Res.Commun., 2009
3A82
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Crystal Structure of Trypsin complexed with pre-synthesized (E)-2-(4-carbamimidoylbenzylideneaminooxy)acetic acid
分子名称: (E)-2-(4-carbamimidoylbenzylideneaminooxy)acetic acid, CALCIUM ION, Cationic trypsin, ...
著者Yamane, J, Yao, M, Tanaka, I.
登録日2009-10-05
公開日2010-09-29
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献In-Crystal Chemical Ligation for Drug Discovery
To be Published
2J0Z
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p53 tetramerization domain wild type
分子名称: CELLULAR TUMOR ANTIGEN P53
著者Carbajo, R.J, Mora, P, Sanchez del Pino, M.M, Perez-Paya, E, Pineda-Lucena, A.
登録日2006-08-08
公開日2007-08-28
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Solvent-exposed residues located in the beta-sheet modulate the stability of the tetramerization domain of p53--a structural and combinatorial approach.
Proteins, 71, 2008
3A8D
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BU of 3a8d by Molmil
Crystal Structure of Trypsin complexed with (E)-2-(4-carbamimidoylbenzylideneaminooxy)acetic acid (under aniline-free condition)
分子名称: (E)-2-(4-carbamimidoylbenzylideneaminooxy)acetic acid, CALCIUM ION, Cationic trypsin, ...
著者Yamane, J, Yao, M, Tanaka, I.
登録日2009-10-05
公開日2010-09-29
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献In-Crystal Chemical Ligation for Drug Discovery
To be Published
2IVV
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Crystal structure of phosphorylated RET tyrosine kinase domain complexed with the inhibitor PP1
分子名称: 1-TER-BUTYL-3-P-TOLYL-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINE, FORMIC ACID, PROTO-ONCOGENE TYROSINE-PROTEIN KINASE RECEPTOR RET PRECURSOR
著者Knowles, P.P, Murray-Rust, J, McDonald, N.Q.
登録日2006-06-16
公開日2006-08-14
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structure and chemical inhibition of the RET tyrosine kinase domain.
J. Biol. Chem., 281, 2006
2J3G
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L-ficolin
分子名称: CALCIUM ION, FICOLIN-2, O-ACETALDEHYDYL-HEXAETHYLENE GLYCOL, ...
著者Garlatti, V, Gaboriaud, C.
登録日2006-08-21
公開日2007-01-23
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural Insights Into the Innate Immune Recognition Specificities of L- and H-Ficolins.
Embo J., 26, 2007
2J4C
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Structure of human Butyrylcholinesterase in complex with 10mM HgCl2
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Colletier, J.P, Frasco, M.F, Carvalho, F, Guilhermino, L, Stojan, J, Fournier, D, Weik, M.
登録日2006-08-28
公開日2007-03-27
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Mechanisms of Cholinesterase Inhibition by Inorganic Mercury.
FEBS J., 274, 2007
3J5Q
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Structure of TRPV1 ion channel in complex with DkTx and RTX determined by single particle electron cryo-microscopy
分子名称: Kappa-theraphotoxin-Cg1a 1, Transient receptor potential cation channel subfamily V member 1
著者Liao, M, Cao, E, Julius, D, Cheng, Y.
登録日2013-10-28
公開日2013-12-04
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献TRPV1 structures in distinct conformations reveal activation mechanisms.
Nature, 504, 2013

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