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2D82
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Target Structure-Based Discovery of Small Molecules that Block Human p53 and CREB Binding Protein (CBP) Association
分子名称: 9-ACETYL-2,3,4,9-TETRAHYDRO-1H-CARBAZOL-1-ONE, CREB-binding protein
著者Sachchidanand, Resnick-Silverman, L, Yan, S, Mujtaba, S, Liu, W.J, Zeng, L, Manfredi, J.J, Zhou, M.M.
登録日2005-12-01
公開日2006-04-04
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Target structure-based discovery of small molecules that block human p53 and CREB binding protein association
Chem.Biol., 13, 2006
2DAL
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Solution Structure of the Novel Identified UBA-like Domain in the N-terminal of Human Fas Associated Factor 1 Protein
分子名称: Protein KIAA0794
著者Zhao, C, Kigawa, T, Tomizawa, T, Koshiba, S, Inoue, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2005-12-14
公開日2006-06-14
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Solution Structure of the Novel Identified UBA-like Domain in the N-terminal of Human Fas Associated Factor 1 Protein
To be Published
1U16
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Crystal structure of a duck-delta-crystallin-1 double loop mutant (DLM) in complex with sulfate
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, Delta crystallin I, ...
著者Tsai, M, Sampaleanu, L.M, Greene, C, Creagh, L, Haynes, C, Howell, P.L.
登録日2004-07-14
公開日2004-10-05
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献A duck delta1 crystallin double loop mutant provides insight into residues important for argininosuccinate lyase activity.
Biochemistry, 43, 2004
1Z8I
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Crystal structure of the thrombin mutant G193A bound to PPACK
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, SODIUM ION, ...
著者Bobofchak, K.M, Pineda, A.O, Mathews, F.S, Di Cera, E.
登録日2005-03-30
公開日2005-05-17
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Energetic and structural consequences of perturbing Gly-193 in the oxyanion hole of serine proteases
J.Biol.Chem., 280, 2005
2D1Z
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Crystal structure of catalytic-site mutant xylanase from Streptomyces olivaceoviridis E-86
分子名称: ENDO-1,4-BETA-D-XYLANASE, GLYCEROL, SULFATE ION
著者Suzuki, R, Kuno, A, Fujimoto, Z, Ito, S, Kawahara, S.I, Kaneko, S, Hasegawa, T, Taira, K.
登録日2005-09-02
公開日2006-10-10
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystallographic snapshots of an entire reaction cycle for a retaining xylanase from Streptomyces olivaceoviridis E-86
J.Biochem., 146, 2009
4C72
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Crystal structure of M. tuberculosis C171Q KasA in complex with TLM5
分子名称: (2R)-2-(hexadecanoyloxy)-3-{[(10R)-10-methyloctadecanoyl]oxy}propyl phosphate, (5R)-3-acetyl-4-hydroxy-5-methyl-5-[(1Z)-2-methylbuta-1,3-dien-1-yl]thiophen-2(5H)-one, 1,2-ETHANEDIOL, ...
著者Schiebel, J, Kapilashrami, K, Fekete, A, Bommineni, G.R, Schaefer, C.M, Mueller, M.J, Tonge, P.J, Kisker, C.
登録日2013-09-19
公開日2013-10-09
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural Basis for the Recognition of Mycolic Acid Precursors by Kasa, a Condensing Enzyme and Drug Target from Mycobacterium Tuberculosis
J.Biol.Chem., 288, 2013
1ZAP
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SECRETED ASPARTIC PROTEASE FROM C. ALBICANS
分子名称: N-ethyl-N-[(4-methylpiperazin-1-yl)carbonyl]-D-phenylalanyl-N-[(1S,2S,4R)-4-(butylcarbamoyl)-1-(cyclohexylmethyl)-2-hyd roxy-5-methylhexyl]-L-norleucinamide, SECRETED ASPARTIC PROTEINASE, ZINC ION
著者Abad-Zapatero, C, Muchmore, S.W.
登録日1996-01-16
公開日1997-04-21
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure of a secreted aspartic protease from C. albicans complexed with a potent inhibitor: implications for the design of antifungal agents.
Protein Sci., 5, 1996
4GC9
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Crystal structure of murine TFB1M in complex with SAM
分子名称: ACETATE ION, Dimethyladenosine transferase 1, mitochondrial, ...
著者Guja, K.E, Yakubovskaya, E, Shi, H, Mejia, E, Hambardjieva, E, Venkataraman, K, Karzai, A.W, Garcia-Diaz, M.
登録日2012-07-30
公開日2013-07-10
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.103 Å)
主引用文献Structural basis for S-adenosylmethionine binding and methyltransferase activity by mitochondrial transcription factor B1.
Nucleic Acids Res., 41, 2013
4C2Y
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Human N-myristoyltransferase (NMT1) with Myristoyl-CoA co-factor
分子名称: CITRIC ACID, GLYCEROL, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE 1, ...
著者Thinon, E, Serwa, R.A, Brannigan, J.A, Brassat, U, Wright, M.H, Heal, W.P, Wilkinson, A.J, Mann, D.J, Tate, E.W.
登録日2013-08-20
公開日2014-10-01
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Global Profiling of Co- and Post-Translationally N-Myristoylated Proteomes in Human Cells.
Nat.Commun., 5, 2014
2CQT
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BU of 2cqt by Molmil
Crystal Structure of Cellvibrio gilvus Cellobiose Phosphorylase Crystallized from Sodium/Potassium Phosphate
分子名称: Cellobiose Phosphorylase, GLYCEROL, PHOSPHATE ION, ...
著者Hidaka, M, Kitaoka, M, Hayashi, K, Wakagi, T, Shoun, H, Fushinobu, S.
登録日2005-05-20
公開日2006-05-16
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural dissection of the reaction mechanism of cellobiose phosphorylase.
Biochem.J., 398, 2006
1U15
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BU of 1u15 by Molmil
Crystal structure of a duck-delta-crystallin-1 double loop mutant (DLM)
分子名称: Delta crystallin I
著者Tsai, M, Sampaleanu, L.M, Greene, C, Creagh, L, Haynes, C, Howell, P.L.
登録日2004-07-14
公開日2004-10-05
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献A duck delta1 crystallin double loop mutant provides insight into residues important for argininosuccinate lyase activity.
Biochemistry, 43, 2004
4I0S
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BU of 4i0s by Molmil
Crystal structure of spleen tyrosine kinase complexed with 2-(6-Chloro-1-methyl-1H-indazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid isopropylamide
分子名称: 2-(6-chloro-1-methyl-1H-indazol-3-yl)-N-(propan-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide, Tyrosine-protein kinase SYK
著者Kuglstatter, A, Slade, M.
登録日2012-11-19
公開日2013-10-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Pyrrolopyrazines as selective spleen tyrosine kinase inhibitors.
J.Med.Chem., 56, 2013
2D89
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Solution structure of the CH domain from human EH domain binding protein 1
分子名称: EHBP1 protein
著者Tomizawa, T, Kigawa, T, Koshiba, S, Inoue, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2005-12-02
公開日2006-06-02
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Solution structure of the CH domain from human EH domain binding protein 1
To be Published
2Z9W
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Crystal structure of pyridoxamine-pyruvate aminotransferase complexed with pyridoxal
分子名称: 3-HYDROXY-5-(HYDROXYMETHYL)-2-METHYLISONICOTINALDEHYDE, Aspartate aminotransferase, GLYCEROL, ...
著者Yoshikane, Y, Yokochi, N, Yamasaki, M, Mizutani, K, Ohnishi, K, Mikami, B, Hayashi, H, Yagi, T.
登録日2007-09-26
公開日2007-11-06
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure of pyridoxamine-pyruvate aminotransferase from Mesorhizobium loti MAFF303099
J.Biol.Chem., 283, 2008
4I49
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Structure of ngNAGS bound with bisubstrate analog CoA-NAG
分子名称: (2S)-2-({(3S,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14,20-trioxo-2,4,6-trioxa-18-thia-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaicosan-20-yl}amino)pentanedioic acid (non-preferred name), Amino-acid acetyltransferase, SULFATE ION
著者Shi, D, Zhao, G, Allewell, N.M, Tuchman, M.
登録日2012-11-27
公開日2013-01-09
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Structure of the complex of Neisseria gonorrhoeae N-acetyl-l-glutamate synthase with a bound bisubstrate analog.
Biochem.Biophys.Res.Commun., 430, 2013
3OGP
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BU of 3ogp by Molmil
Crystal Structure of 6s-98S FIV Protease with Darunavir bound
分子名称: (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, DIMETHYL SULFOXIDE, FIV Protease
著者Lin, Y.-C, Perryman, A.L, Elder, J.H, Stout, C.D.
登録日2010-08-17
公開日2011-06-08
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural basis for drug and substrate specificity exhibited by FIV encoding a chimeric FIV/HIV protease.
Acta Crystallogr.,Sect.D, 67, 2011
3ODR
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Crystal Structure of the N-terminal Domain of Human Symplekin
分子名称: 1,2-ETHANEDIOL, Symplekin
著者Tong, L, Xiang, K.
登録日2010-08-11
公開日2010-10-06
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of the human symplekin-Ssu72-CTD phosphopeptide complex.
Nature, 467, 2010
4BVV
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Identification of small molecule inhibitors selective for apo(a) kringles KIV-7, KIV-10 and KV.
分子名称: 1-CYCLOPROPYL-6-FLUORO-4-OXO-7-PIPERAZIN-1-YL-1,4-DIHYDROQUINOLINE-3-CARBOXYLIC ACID, APOLIPOPROTEIN(A), SULFATE ION
著者Sandmark, J, Althage, M, Andersson, G.M.K, Antonsson, T, Blaho, S, Bodin, C, Bostrom, J, Chen, Y, Dahlen, A, Eriksson, P.O, Evertsson, E, Fex, T, Fjellstrom, O, Gustafsson, D, Hallberg, C, Hicks, R, Jarkvist, E, Johansson, C, Kalies, I, Kang, D, Svalstedt Karlsson, B, Kartberg, F, Legnehed, A, Lindqvist, A.M, Martinsson, S.A, Moberg, A, Petersson, A.U, Ridderstrom, M, Thelin, A, Tigerstrom, A, Vinblad, J, Xu, B, Knecht, W.
登録日2013-06-28
公開日2014-07-16
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Small Molecules Used to Decipher the Pathophysiological Roles of the Kringle Domains Kiv-7, - 10 and Kv of Apolipoprotein(A)
To be Published
4C08
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Crystal structure of M. musculus protein arginine methyltransferase PRMT6 with CaCl2 at 1.34 Angstroms
分子名称: CALCIUM ION, PENTAETHYLENE GLYCOL, PROTEIN ARGININE N-METHYLTRANSFERASE 6
著者Bonnefond, L, Cura, V, Troffer-Charlier, N, Mailliot, J, Wurtz, J.M, Cavarelli, J.
登録日2013-07-31
公開日2014-07-30
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.338 Å)
主引用文献Functional Insights from High Resolution Structures of Mouse Protein Arginine Methyltransferase 6.
J.Struct.Biol., 191, 2015
2ZM4
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Crystal structure of imidazo quinoxaline 1 bound to the kinase domain of human LCK, activated form (auto-phosphorylated on TYR394)
分子名称: DIMETHYL SULFOXIDE, N-(2-chloro-6-methylphenyl)-8-[(3S)-3-methylpiperazin-1-yl]imidazo[1,5-a]quinoxalin-4-amine, Proto-oncogene tyrosine-protein kinase LCK, ...
著者Tsuji, E.
登録日2008-04-11
公開日2008-10-14
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.7 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
2ZM8
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Structure of 6-Aminohexanoate-dimer Hydrolase, S112A/D370Y Mutant Complexed with 6-Aminohexanoate-dimer
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-AMINOHEXANOIC ACID, 6-aminohexanoate-dimer hydrolase, ...
著者Ohki, T, Shibata, N, Higuchi, Y, Kawashima, Y, Takeo, M, Kato, D, Negoro, S.
登録日2008-04-14
公開日2009-04-14
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Two alternative modes for optimizing nylon-6 byproduct hydrolytic activity from a carboxylesterase with a beta-lactamase fold: X-ray crystallographic analysis of directly evolved 6-aminohexanoate-dimer hydrolase.
Protein Sci., 18, 2009
1XJA
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Apo form of the Y31V mutant dimerization domain fragment of Escherichia coli regulatory protein AraC
分子名称: 1,2-ETHANEDIOL, Arabinose operon regulatory protein
著者Weldon, J.E, Larkin, C, Schleif, R.F.
登録日2004-09-23
公開日2004-10-12
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure and properties of a truely apo form of AraC dimerization domain.
Proteins, 66, 2007
4K2H
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Crystal structure of C103A mutant of DJ-1 superfamily protein STM1931 from Salmonella typhimurium
分子名称: Intracellular protease/amidase, ZINC ION
著者Shumilin, I.A, Niedzialkowska, E, Domagalski, M.J, Stam, J, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2013-04-09
公開日2013-04-24
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of C103A mutant of DJ-1 superfamily protein STM1931 from Salmonella typhimurium
TO BE PUBLISHED
1IVN
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E.coli Thioesterase I/Protease I/Lysophospholiase L1
分子名称: GLYCEROL, SULFATE ION, Thioesterase I
著者Lo, Y.-C, Shaw, J.-F, Liaw, Y.-C.
登録日2002-03-27
公開日2003-07-08
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal Structure of Escherichia coli Thioesterase I/Protease I/Lysophospholipase L1: Consensus Sequence Blocks Constitute the Catalytic Center of SGNH-hydrolases through a Conserved Hydrogen Bond Network
J.Mol.Biol., 330, 2003
2Z6O
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Crystal Structure of the Ufc1, Ufm1 conjugating enzyme 1
分子名称: MAGNESIUM ION, Ufm1-conjugating enzyme 1
著者Mizushima , T, Tatsumi, K, Ozaki, Y, Kawakami, T, Suzuki, A, Ogasahara, K, Komatsu, M, Kominami, E, Tanaka, K, Yamane, T.
登録日2007-08-06
公開日2007-09-25
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal structure of Ufc1, the Ufm1-conjugating enzyme
Biochem.Biophys.Res.Commun., 362, 2007

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