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4ACS
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BU of 4acs by Molmil
Crystal structure of mutant GST A2-2 with enhanced catalytic efficiency with azathioprine
分子名称: GLUTATHIONE, GLUTATHIONE S-TRANSFERASE A2
著者Zhang, W, Moden, O, Tars, K, Mannervik, B.
登録日2011-12-19
公開日2011-12-28
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure-based redesign of GST A2-2 for enhanced catalytic efficiency with azathioprine.
Chem.Biol., 19, 2012
2E5D
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BU of 2e5d by Molmil
Crystal structure of Human NMPRTase complexed with nicotinamide
分子名称: NICOTINAMIDE, Nicotinamide phosphoribosyltransferase
著者Takahashi, R, Nakamura, S, Kobayashi, Y, Ohkubo, T.
登録日2006-12-20
公開日2007-12-25
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure and reaction mechanism of human nicotinamide phosphoribosyltransferase
J.Biochem., 147, 2010
2E5U
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C-terminal domain of Epsilon subunit of F1F0-ATP synthase from the Thermophilic Bacillus PS3
分子名称: ATP synthase epsilon chain
著者Yagi, H, Akutsu, H.
登録日2006-12-25
公開日2007-07-10
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Structures of the thermophilic F1-ATPase {varepsilon} subunit suggesting ATP-regulated arm motion of its C-terminal domain in F1
Proc.Natl.Acad.Sci.Usa, 104, 2007
3X03
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BU of 3x03 by Molmil
Crystal structure of PIP4KIIBETA complex with AMPPNP
分子名称: PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Phosphatidylinositol 5-phosphate 4-kinase type-2 beta
著者Takeuchi, K, Lo, Y.H, Sumita, K, Senda, M, Terakawa, J, Dimitoris, A, Locasale, J.W, Sasaki, M, Yoshino, H, Zhang, Y, Kahoud, E.R, Takano, T, Yokota, T, Emerling, B, Asara, J.A, Ishida, T, Shimada, I, Daikoku, T, Cantley, L.C, Senda, T, Sasaki, A.T.
登録日2014-10-09
公開日2015-10-14
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献The Lipid Kinase PI5P4K beta Is an Intracellular GTP Sensor for Metabolism and Tumorigenesis
Mol.Cell, 61, 2016
5CMR
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BU of 5cmr by Molmil
Crystal Structure of Linker-Mediated Zn-bound Human H-Ferritin variant 122H-delta C-star
分子名称: Ferritin heavy chain, N,N'-dihydroxybenzene-1,4-dicarboxamide, SODIUM ION, ...
著者Sontz, P.A, Bailey, J.B, Ahn, S, Tezcan, F.A.
登録日2015-07-17
公開日2015-09-09
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.792 Å)
主引用文献A Metal Organic Framework with Spherical Protein Nodes: Rational Chemical Design of 3D Protein Crystals.
J.Am.Chem.Soc., 137, 2015
5FM0
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BU of 5fm0 by Molmil
Crystal structure of the 6-carboxyhexanoate-CoA ligase (BioW)from Bacillus subtilis (PtCl4 derivative)
分子名称: 6-CARBOXYHEXANOATE--COA LIGASE, MAGNESIUM ION, PIMELOYL-AMP, ...
著者Moynie, L, Wang, M, Campopiano, D.J, Naismith, J.H.
登録日2015-10-29
公開日2016-11-16
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.44 Å)
主引用文献Using the pimeloyl-CoA synthetase adenylation fold to synthesize fatty acid thioesters.
Nat. Chem. Biol., 13, 2017
3WZ8
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BU of 3wz8 by Molmil
Endothiapepsin in complex with Gewald reaction-derived inhibitor (8)
分子名称: DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, Endothiapepsin, ...
著者Kuhnert, M, Steuber, H, Diederich, W.E.
登録日2014-09-19
公開日2015-08-05
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Tracing binding modes in hit-to-lead optimization: chameleon-like poses of aspartic protease inhibitors
Angew.Chem.Int.Ed.Engl., 54, 2015
5FO4
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BU of 5fo4 by Molmil
Crystal structure of the P.falciparum cytosolic leucyl-tRNA synthetase editing domain (space group P1)
分子名称: LEUCYL TRNA SYNTHASE
著者Palencia, A, Sonoiki, E, Guo, D, Ahyong, V, Dong, C, Li, X, Hernandez, V.S, Gut, J, Legac, J, Cooper, R, Alley, M.R.K, Freund, Y.R, DeRisi, J, Cusack, S, Rosenthal, P.J.
登録日2015-11-18
公開日2016-06-22
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Anti-Malarial Benzoxaboroles Target P. Falciparum Leucyl-tRNA Synthetase.
Antimicrob.Agents Chemother., 60, 2016
5CAS
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BU of 5cas by Molmil
EGFR kinase domain mutant "TMLR" with compound 41a
分子名称: (1R)-1-{6-({2-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-yl}amino)-1-[(2S)-1,1,1-trifluoropropan-2-yl]-1H-imidazo[4,5-c]pyridin-2-yl}ethanol, Epidermal growth factor receptor, SULFATE ION
著者Eigenbrot, C, Yu, C.
登録日2015-06-29
公開日2015-10-28
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Noncovalent Mutant Selective Epidermal Growth Factor Receptor Inhibitors: A Lead Optimization Case Study.
J.Med.Chem., 58, 2015
1XGB
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BU of 1xgb by Molmil
ALPHA CONOTOXIN GI: 2-13;3-7 DISULFIDE BOND ISOMER NMR, 24 STRUCTURES
分子名称: ALPHA-CONOTOXIN GI
著者Gehrmann, J, Alewood, P.F, Craik, D.J.
登録日1998-01-18
公開日1999-02-16
最終更新日2022-03-02
実験手法SOLUTION NMR
主引用文献Structure determination of the three disulfide bond isomers of alpha-conotoxin GI: a model for the role of disulfide bonds in structural stability.
J.Mol.Biol., 278, 1998
1XGC
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BU of 1xgc by Molmil
ALPHA CONOTOXIN GI: 2-3;7-13 DISULFIDE BOND ISOMER, NMR, 25 STRUCTURES
分子名称: ALPHA-CONOTOXIN GI
著者Gehrmann, J, Alewood, P.F, Craik, D.J.
登録日1998-01-18
公開日1999-02-02
最終更新日2022-03-02
実験手法SOLUTION NMR
主引用文献Structure determination of the three disulfide bond isomers of alpha-conotoxin GI: a model for the role of disulfide bonds in structural stability.
J.Mol.Biol., 278, 1998
5FOD
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BU of 5fod by Molmil
Crystal structure of the P.falciparum cytosolic leucyl-tRNA synthetase editing domain (space group P1) containing deletions of insertions 1 and 3
分子名称: 1,2-ETHANEDIOL, LEUCYL-TRNA SYNTHETASE
著者Palencia, A, Sonoiki, E, Guo, D, Ahyong, V, Dong, C, Li, X, Hernandez, V.S, Gut, J, Legac, J, Cooper, R, Alley, M.R.K, Freund, Y.R, DeRisi, J, Cusack, S, Rosenthal, P.J.
登録日2015-11-19
公開日2016-06-22
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Anti-Malarial Benzoxaboroles Target P. Falciparum Leucyl-tRNA Synthetase.
Antimicrob.Agents Chemother., 60, 2016
5FIR
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BU of 5fir by Molmil
Crystal structure of C. elegans XRN2 in complex with the XRN2-binding domain of PAXT-1
分子名称: 5'-3' EXORIBONUCLEASE 2 HOMOLOG, PAXT-1, SULFATE ION
著者Richter, H, Katic, I, Gut, H, Grosshans, H.
登録日2015-10-02
公開日2016-01-20
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.836 Å)
主引用文献Structural Basis and Function of Xrn2-Binding by Xtb Domains
Nat.Struct.Mol.Biol., 23, 2016
3X01
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BU of 3x01 by Molmil
Crystal structure of PIP4KIIBETA complex with AMP
分子名称: ADENOSINE MONOPHOSPHATE, Phosphatidylinositol 5-phosphate 4-kinase type-2 beta
著者Takeuchi, K, Lo, Y.H, Sumita, K, Senda, M, Terakawa, J, Dimitoris, A, Locasale, J.W, Sasaki, M, Yoshino, H, Zhang, Y, Kahoud, E.R, Takano, T, Yokota, T, Emerling, B, Asara, J.A, Ishida, T, Shimada, I, Daikoku, T, Cantley, L.C, Senda, T, Sasaki, A.T.
登録日2014-10-09
公開日2015-10-14
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献The Lipid Kinase PI5P4K beta Is an Intracellular GTP Sensor for Metabolism and Tumorigenesis
Mol.Cell, 61, 2016
5FOC
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Crystal structure of the P.falciparum cytosolic leucyl-tRNA synthetase editing domain (space group P21)
分子名称: LEUCYL-TRNA SYNTHETASE
著者Palencia, A, Sonoiki, E, Guo, D, Ahyong, V, Dong, C, Li, X, Hernandez, V.S, Gut, J, Legac, J, Cooper, R, Alley, M.R.K, Freund, Y.R, DeRisi, J, Cusack, S, Rosenthal, P.J.
登録日2015-11-19
公開日2016-06-22
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Anti-Malarial Benzoxaboroles Target P. Falciparum Leucyl-tRNA Synthetase.
Antimicrob.Agents Chemother., 60, 2016
5T25
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BU of 5t25 by Molmil
Kinetic, Spectral and Structural Characterization of the Slow Binding Inhibitor Acetopyruvate with Dihydrodipicolinate Synthase from Escherichia coli.
分子名称: 4-hydroxy-tetrahydrodipicolinate synthase, LYSINE, SODIUM ION
著者Chooback, L, Thomas, L.M, Karsten, W.E, Fleming, C.D, Seabourn, P.
登録日2016-08-23
公開日2017-03-01
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.991 Å)
主引用文献Kinetic, Spectral and Structural Characterization of the Slow Binding Inhibitor Acetopyruvate with Dihydrodipicolinate Synthase from Escherichia coli.
To Be Published
1XWL
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BU of 1xwl by Molmil
BACILLUS STEAROTHERMOPHILUS (NEWLY IDENTIFIED STRAIN AS YET UNNAMED) DNA POLYMERASE FRAGMENT
分子名称: DNA POLYMERASE I, SULFATE ION
著者Kiefer, J.R, Mao, C, Beese, L.S.
登録日1998-07-22
公開日1999-01-13
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure of a thermostable Bacillus DNA polymerase I large fragment at 2.1 A resolution.
Structure, 5, 1997
3X0Y
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BU of 3x0y by Molmil
Crystal structure of FMN-bound DszC from Rhodococcus erythropolis D-1
分子名称: DszC, FLAVIN MONONUCLEOTIDE
著者Guan, L.J, Lee, W.C, Wang, S.P, Ohtsuka, J, Tanokura, M.
登録日2014-10-23
公開日2015-02-25
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structures of apo-DszC and FMN-bound DszC from Rhodococcus erythropolis D-1.
Febs J., 282, 2015
5FOF
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BU of 5fof by Molmil
Crystal structure of the P.knowlesi cytosolic leucyl-tRNA synthetase editing domain
分子名称: LEUCYL-TRNA SYNTHETASE
著者Palencia, A, Sonoiki, E, Guo, D, Ahyong, V, Dong, C, Li, X, Hernandez, V.S, Gut, J, Legac, J, Cooper, R, Alley, M.R.K, Freund, Y.R, DeRisi, J, Cusack, S, Rosenthal, P.J.
登録日2015-11-19
公開日2016-06-22
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Anti-Malarial Benzoxaboroles Target P. Falciparum Leucyl-tRNA Synthetase.
Antimicrob.Agents Chemother., 60, 2016
5COX
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BU of 5cox by Molmil
UNINHIBITED MOUSE CYCLOOXYGENASE-2 (PROSTAGLANDIN SYNTHASE-2)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CYCLOOXYGENASE-2, PROTOPORPHYRIN IX CONTAINING FE
著者Kurumbail, R, Stallings, W.
登録日1996-12-18
公開日1997-12-24
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural basis for selective inhibition of cyclooxygenase-2 by anti-inflammatory agents.
Nature, 384, 1996
3ZBI
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BU of 3zbi by Molmil
Fitting result in the O-layer of the subnanometer structure of the bacterial pKM101 type IV secretion system core complex digested with elastase
分子名称: TRAF PROTEIN, TRAN PROTEIN, TRAO PROTEIN
著者Rivera-Calzada, A, Fronzes, R, Savva, C.G, Chandran, V, Lian, P.W, Laeremans, T, Pardon, E, Steyaert, J, Remaut, H, Waksman, G, Orlova, E.V.
登録日2012-11-10
公開日2013-04-03
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (8.5 Å)
主引用文献Structure of a Bacterial Type Iv Secretion Core Complex at Subnanometre Resolution.
Embo J., 32, 2013
2EC1
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BU of 2ec1 by Molmil
Solution structure of the RanBD1 domain from human Nucleoporin 50 kDa
分子名称: Nucleoporin 50 kDa
著者Zhang, H.P, Kurosaki, C, Yoshida, M, Hayashi, F, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2007-02-09
公開日2007-08-14
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Solution structure of the RanBD1 domain from human Nucleoporin 50 kDa
To be published
5FN0
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BU of 5fn0 by Molmil
Crystal structure of Pseudomonas fluorescens kynurenine-3- monooxygenase (KMO) in complex with GSK180
分子名称: 3-(5,6-DICHLORO-2-OXOBENZO[D]OXAZOL-3(2H)-YL)PROPANOIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, KYNURENINE 3-MONOOXYGENASE
著者Mole, D.J, Webster, S.P, Uings, I, Zheng, X, Binnie, M, Wilson, K, Hutchinson, J.P, Mirguet, O, Walker, A, Beaufils, B, Ancellin, N, Trottet, L, Beneton, V, Mowat, C.G, Wilkinson, M, Rowland, P, Haslam, C, McBride, A, Homer, N.Z.M, Baily, J.E, Sharp, M.G.F, Garden, O.J, Hughes, J, Howie, S.E.M, Holmes, D, Liddle, J, Iredale, J.P.
登録日2015-11-10
公開日2016-01-13
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (3.19 Å)
主引用文献Kynurenine-3-Monooxygenase Inhibition Prevents Multiple Organ Failure in Rodent Models of Acute Pancreatitis.
Nat.Med. (N.Y.), 22, 2016
1XYS
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BU of 1xys by Molmil
CATALYTIC CORE OF XYLANASE A E246C MUTANT
分子名称: CALCIUM ION, XYLANASE A
著者Harris, G.W, Jenkins, J.A, Connerton, I, Pickersgill, R.W.
登録日1994-09-02
公開日1995-07-10
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure of the catalytic core of the family F xylanase from Pseudomonas fluorescens and identification of the xylopentaose-binding sites.
Structure, 2, 1994
5CNX
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Crystal structure of Xaa-Pro aminopeptidase from Escherichia coli K12
分子名称: Aminopeptidase YpdF, CACODYLATE ION, GLYCEROL, ...
著者Kumar, A, Are, V, Ghosh, B, Jamdar, S, Makde, R.D.
登録日2015-07-18
公開日2016-07-20
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structures and activities of widely conserved small prokaryotic aminopeptidases-P clarify classification of M24B peptidases
Proteins, 2018

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