3VYO
| Crystal structure of Mycobacterium tuberculosis L,D-transpeptidase LdtMt2 N140 truncation mutant (resideus 140-408) | 分子名称: | Probable conserved lipoprotein LPPS | 著者 | Li, W.J, Li, D.F, Bi, L.J, Wang, D.C. | 登録日 | 2012-09-30 | 公開日 | 2013-06-19 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Crystal structure of L,D-transpeptidase LdtMt2 in complex with meropenem reveals the mechanism of carbapenem against Mycobacterium tuberculosis Cell Res., 23, 2013
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4GQJ
| Complex of a binuclear Ruthenium compound D,D-([mu-(11,11')-bi(dppz)-(1,10-phenanthroline)4-Ru2]4+) bound to d(CGTACG) | 分子名称: | (mu-11,11'-bidipyrido[3,2-a:2',3'-c]phenazine-1kappa~2~N~4~,N~5~:2kappa~2~N~4'~,N~5'~)[tetrakis(1,10-phenanthroline-kappa~2~N~1~,N~10~)]diruthenium, DNA (5'-D(*CP*GP*TP*AP*CP*G)-3') | 著者 | Boer, D.R, Coll, M. | 登録日 | 2012-08-23 | 公開日 | 2014-03-05 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.951 Å) | 主引用文献 | Thread Insertion of a Bis(dipyridophenazine) Diruthenium Complex into the DNA Double Helix by the Extrusion of AT Base Pairs and Cross-Linking of DNA Duplexes. Angew.Chem.Int.Ed.Engl., 53, 2014
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7SY9
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4ZZ2
| HUMAN GAR TRANSFORMYLASE IN COMPLEX WITH GAR AND (S)-2-({5-[3-(2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDIN-6-YL)-PROPYL]-THIOPHENE-3-CARBONYL}-AMINO)-PENTANEDIOIC ACID | 分子名称: | (S)-2-({5-[3-(2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-6-yl)-propyl]-thiophene-3-carbonyl}-amino)-pentanedioic acid, GLYCINAMIDE RIBONUCLEOTIDE, Trifunctional purine biosynthetic protein adenosine-3 | 著者 | Deis, S.M, Dann III, C.E. | 登録日 | 2015-05-22 | 公開日 | 2015-12-16 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.451 Å) | 主引用文献 | 6-Substituted Pyrrolo[2,3-d]pyrimidine Thienoyl Regioisomers as Targeted Antifolates for Folate Receptor alpha and the Proton-Coupled Folate Transporter in Human Tumors. J.Med.Chem., 58, 2015
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7AM6
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3D2I
| Crystal structure of mouse Aurora A (Asn186->Gly, Lys240->Arg, Met302->Leu) in complex with 1-{5-[2-(1-methyl-1H-pyrazolo[4,3-d]pyrimidin-7-ylamino)-ethyl]-thiazol-2-yl}-3-(3-trifluoromethyl-phenyl)-urea | 分子名称: | 1-(5-{2-[(1-methyl-1H-pyrazolo[4,3-d]pyrimidin-7-yl)amino]ethyl}-1,3-thiazol-2-yl)-3-[3-(trifluoromethyl)phenyl]urea, serine/threonine kinase 6 | 著者 | Oslob, J.D, Yu, C, Romanowski, M.J. | 登録日 | 2008-05-08 | 公開日 | 2009-05-12 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Discovery of Aurora-A-selective inhibitors To be Published
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4ZZ1
| HUMAN GAR TRANSFORMYLASE IN COMPLEX WITH GAR AND (S)-2-({4-[3-(2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDIN-6-YL)-PROPYL]-THIOPHENE-2-CARBONYL}-AMINO)-PENTANEDIOIC ACID | 分子名称: | (S)-2-({4-[3-(2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-6-yl)-propyl]-thiophene-2-carbonyl}-amino)-pentanedioic acid, GLYCINAMIDE RIBONUCLEOTIDE, Trifunctional purine biosynthetic protein adenosine-3 | 著者 | Deis, S.M, Dann III, C.E. | 登録日 | 2015-05-22 | 公開日 | 2015-12-16 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.351 Å) | 主引用文献 | 6-Substituted Pyrrolo[2,3-d]pyrimidine Thienoyl Regioisomers as Targeted Antifolates for Folate Receptor alpha and the Proton-Coupled Folate Transporter in Human Tumors. J.Med.Chem., 58, 2015
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3D2K
| Crystal structure of mouse Aurora A (Asn186->Gly, Lys240->Arg, Met302->Leu) in complex with [7-(2-{2-[3-(3-chloro-phenyl)-ureido]-thiazol-5-yl}-ethylamino)-pyrazolo[4,3-d]pyrimidin-1-yl]-acetic acid | 分子名称: | (7-{[2-(2-{[(3-chlorophenyl)carbamoyl]amino}-1,3-thiazol-5-yl)ethyl]amino}-1H-pyrazolo[4,3-d]pyrimidin-1-yl)acetic acid, serine/threonine kinase 6 | 著者 | Elling, R.A, Oslob, J.D, Yu, C, Romanowski, M.J. | 登録日 | 2008-05-08 | 公開日 | 2009-05-12 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Discovery of Aurora-A-selective inhibitors To be Published
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4G4I
| Crystal structure of glucuronoyl esterase S213A mutant from Sporotrichum thermophile determined at 1.9 A resolution | 分子名称: | 1,2-ETHANEDIOL, 4-O-methyl-glucuronoyl methylesterase, GLYCEROL | 著者 | Charvagi, M.D, Dimarogona, M, Topakas, E, Christakopoulos, P, Chrysina, E.D. | 登録日 | 2012-07-16 | 公開日 | 2013-01-02 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | The structure of a novel glucuronoyl esterase from Myceliophthora thermophila gives new insights into its role as a potential biocatalyst. Acta Crystallogr.,Sect.D, 69, 2013
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3UQ9
| Adenosine kinase from Schistosoma mansoni in complex with tubercidin | 分子名称: | '2-(4-AMINO-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-HYDROXYMETHYL-TETRAHYDRO-FURAN-3,4-DIOL, Adenosine kinase, putative, ... | 著者 | Romanello, L, Cassago, A, Bachega, F.R, Garatt, R.C, DeMarco, R, Pereira, H.M. | 登録日 | 2011-11-19 | 公開日 | 2012-10-31 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.343 Å) | 主引用文献 | Adenosine kinase from Schistosoma mansoni: structural basis for the differential incorporation of nucleoside analogues. Acta Crystallogr.,Sect.D, 69, 2013
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4GJQ
| Crystal structure of human GLTP bound with 12:0 monosulfatide (orthorhombic form;two subunits in asymmetric unit) | 分子名称: | (15Z)-N-((1S,2R,3E)-2-HYDROXY-1-{[(3-O-SULFO-BETA-D-GALACTOPYRANOSYL)OXY]METHYL}HEPTADEC-3-ENYL)TETRACOS-15-ENAMIDE, Glycolipid transfer protein, HEXANE | 著者 | Cabo-Bilbao, A, Goni-de-Cerio, F, Samygina, V.R, Ochoa-Lizarralde, B, Popov, A.N, Malinina, L. | 登録日 | 2012-08-10 | 公開日 | 2013-06-12 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structural insights into lipid-dependent reversible dimerization of human GLTP. Acta Crystallogr.,Sect.D, 69, 2013
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4G4G
| Crystal structure of recombinant glucuronoyl esterase from Sporotrichum thermophile determined at 1.55 A resolution | 分子名称: | 1,2-ETHANEDIOL, 4-O-methyl-glucuronoyl methylesterase, GLYCEROL | 著者 | Charavgi, M.D, Dimarogona, M, Topakas, E, Christakopoulos, P, Chrysina, E.D. | 登録日 | 2012-07-16 | 公開日 | 2013-01-02 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | The structure of a novel glucuronoyl esterase from Myceliophthora thermophila gives new insights into its role as a potential biocatalyst. Acta Crystallogr.,Sect.D, 69, 2013
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3M0X
| Crystal structure of Pseudomonas stutzeri L-rhamnose isomerase mutant S329L in complex with D-psicose | 分子名称: | D-psicose, L-rhamnose isomerase, MANGANESE (II) ION | 著者 | Yoshida, H, Takeda, K, Izumori, K, Kamitori, S. | 登録日 | 2010-03-03 | 公開日 | 2010-11-10 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | 主引用文献 | Elucidation of the role of Ser329 and the C-terminal region in the catalytic activity of Pseudomonas stutzeri L-rhamnose isomerase Protein Eng.Des.Sel., 23, 2010
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4WMC
| OXA-48 covalent complex with Avibactam inhibitor | 分子名称: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase, CARBON DIOXIDE | 著者 | Mangani, S, Benvenuti, M, Docquier, J.D. | 登録日 | 2014-10-08 | 公開日 | 2014-12-03 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Molecular Basis of Selective Inhibition and Slow Reversibility of Avibactam against Class D Carbapenemases: A Structure-Guided Study of OXA-24 and OXA-48. Acs Chem.Biol., 10, 2015
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3LQS
| Complex Structure of D-Amino Acid Aminotransferase and 4-amino-4,5-dihydro-thiophenecarboxylic acid (ADTA) | 分子名称: | 4-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)AMINO]THIOPHENE-2-CARBOXYLIC ACID, ACETIC ACID, D-alanine aminotransferase | 著者 | Lepore, B.W, Liu, D, Peng, Y, Fu, M, Yasuda, C, Manning, J.M, Silverman, R.B, Ringe, D. | 登録日 | 2010-02-10 | 公開日 | 2010-03-16 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Chiral discrimination among aminotransferases: inactivation by 4-amino-4,5-dihydrothiophenecarboxylic acid. Biochemistry, 49, 2010
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5OJT
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4UDK
| Crystal structure of b-1,4-mannopyranosyl-chitobiose phosphorylase at 1.76 Angstrom from unknown human gut bacteria (Uhgb_MP) in complex with N-acetyl-D-glucosamine, beta-D-mannopyranose and inorganic phosphate | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-alpha-D-glucopyranose, GLYCEROL, ... | 著者 | Ladeveze, S, Cioci, G, Potocki-Veronese, G, Tranier, S, Mourey, L. | 登録日 | 2014-12-10 | 公開日 | 2015-05-27 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | 主引用文献 | Structural Bases for N-Glycan Processing by Mannoside Phosphorylase. Acta Crystallogr.,Sect.D, 71, 2015
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7T35
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4GH0
| Crystal structure of D48V mutant of human GLTP bound with 12:0 monosulfatide | 分子名称: | Glycolipid transfer protein, N-{(2S,3R,4E)-3-hydroxy-1-[(3-O-sulfo-beta-D-galactopyranosyl)oxy]octadec-4-en-2-yl}dodecanamide, PENTADECANE | 著者 | Samygina, V.R, Cabo-Bilbao, A, Ochoa-Lizarralde, B, Popov, A.N, Malinina, L. | 登録日 | 2012-08-07 | 公開日 | 2013-04-10 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | 主引用文献 | Structural insights into lipid-dependent reversible dimerization of human GLTP. Acta Crystallogr.,Sect.D, 69, 2013
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7T2X
| Estrogen Receptor Alpha Ligand Binding Domain Y537S in Complex with 2-chloro-4-((4-hydroxybenzyl)amino)-5-phenylthieno[2,3-d]pyrimidin-6-ol and GRIP Peptide | 分子名称: | Estrogen receptor, Nuclear receptor coactivator 2, S-(2-chloro-6-{[(4-hydroxyphenyl)methyl]amino}pyrimidin-4-yl) phenylethanethioate | 著者 | Joiner, C, Sammeta, V.K.R, Norris, J.D, McDonnell, D.P, Wilson, T.M, Fanning, S.W. | 登録日 | 2021-12-06 | 公開日 | 2022-06-22 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | A New Chemotype of Chemically Tractable Nonsteroidal Estrogens Based on a Thieno[2,3- d ]pyrimidine Core. Acs Med.Chem.Lett., 13, 2022
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4FYB
| Structural and functional characterizations of a thioredoxin-fold protein from Helicobacter pylori | 分子名称: | GLYCEROL, Thiol:disulfide interchange protein (DsbC) | 著者 | Yoon, J.Y, Kim, J, Lee, S.J, Im, H.N, Kim, H.S, Yoon, H, An, D.R, Kim, J.Y, Kim, S, Han, B.W, Suh, S.W. | 登録日 | 2012-07-04 | 公開日 | 2013-05-08 | 最終更新日 | 2013-09-11 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Structural and functional characterization of HP0377, a thioredoxin-fold protein from Helicobacter pylori Acta Crystallogr.,Sect.D, 69, 2013
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3D42
| Crystal structure of HePTP in complex with a monophosphorylated Erk2 peptide | 分子名称: | D(-)-TARTARIC ACID, GLYCEROL, Mitogen-activated protein kinase 1 peptide, ... | 著者 | Critton, D.A, Tortajada, A, Page, R. | 登録日 | 2008-05-13 | 公開日 | 2009-03-17 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.46 Å) | 主引用文献 | Structural basis of substrate recognition by hematopoietic tyrosine phosphatase. Biochemistry, 47, 2008
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4FYC
| Structural and functional characterizations of a thioredoxin-fold protein from Helicobacter pylori | 分子名称: | TETRAETHYLENE GLYCOL, Thiol:disulfide interchange protein (DsbC) | 著者 | Yoon, J.Y, Kim, J, Lee, S.J, Im, H.N, Kim, H.S, Yoon, H, An, D.R, Kim, J.Y, Kim, S, Han, B.W, Suh, S.W. | 登録日 | 2012-07-04 | 公開日 | 2013-05-08 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.31 Å) | 主引用文献 | Structural and functional characterization of HP0377, a thioredoxin-fold protein from Helicobacter pylori Acta Crystallogr.,Sect.D, 69, 2013
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4GHP
| Crystal Structure of D48V||A47D mutant of Human GLTP bound with 12:0 monosulfatide | 分子名称: | Glycolipid transfer protein, N-{(2S,3R,4E)-3-hydroxy-1-[(3-O-sulfo-beta-D-galactopyranosyl)oxy]octadec-4-en-2-yl}dodecanamide | 著者 | Samygina, V.R, Ochoa-Lizarralde, B, Popov, A.N, Malinina, L. | 登録日 | 2012-08-08 | 公開日 | 2013-04-10 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structural insights into lipid-dependent reversible dimerization of human GLTP. Acta Crystallogr.,Sect.D, 69, 2013
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4VGC
| GAMMA-CHYMOTRYPSIN D-NAPHTHYL-1-ACETAMIDO BORONIC ACID INHIBITOR COMPLEX | 分子名称: | D-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACID, GAMMA CHYMOTRYPSIN, SULFATE ION | 著者 | Stoll, V.S, Eger, B.T, Hynes, R.C, Martichonok, V, Jones, J.B, Pai, E.F. | 登録日 | 1997-05-01 | 公開日 | 1997-11-12 | 最終更新日 | 2023-08-09 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Differences in binding modes of enantiomers of 1-acetamido boronic acid based protease inhibitors: crystal structures of gamma-chymotrypsin and subtilisin Carlsberg complexes. Biochemistry, 37, 1998
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