3BGP
 
 | | Human Pim-1 complexed with a benzoisoxazole inhibitor VX1 | | 分子名称: | 4-[3-(4-chlorophenyl)-2,1-benzisoxazol-5-yl]pyrimidin-2-amine, Proto-oncogene serine/threonine-protein kinase Pim-1 | | 著者 | Jacobs, M.D. | | 登録日 | 2007-11-27 | | 公開日 | 2007-12-11 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Docking study yields four novel inhibitors of the protooncogene pim-1 kinase.
J.Med.Chem., 51, 2008
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1ZAJ
 | | Fructose-1,6-bisphosphate aldolase from rabbit muscle in complex with mannitol-1,6-bisphosphate, a competitive inhibitor | | 分子名称: | D-MANNITOL-1,6-DIPHOSPHATE, Fructose-bisphosphate aldolase A | | 著者 | St-Jean, M, Lafrance-Vanasse, J, Liotard, B, Sygusch, J. | | 登録日 | 2005-04-06 | | 公開日 | 2005-05-10 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | | 主引用文献 | High Resolution Reaction Intermediates of Rabbit Muscle Fructose-1,6-bisphosphate Aldolase: substrate cleavage and induced fit.
J.Biol.Chem., 280, 2005
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3ZK4
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1I5R
 | | TYPE 1 17-BETA HYDROXYSTEROID DEHYDROGENASE EM1745 COMPLEX | | 分子名称: | GLYCEROL, O5'-[9-(3,17B-DIHYDROXY-1,3,5(10)-ESTRATRIEN-16B-YL)-NONANOYL]ADENOSINE, TYPE 1 17 BETA-HYDROXYSTEROID DEHYDROGENASE | | 著者 | Qiu, W, Campbell, R.L, Boivin, P, Poirier, D, Lin, S.-X. | | 登録日 | 2001-02-28 | | 公開日 | 2003-03-11 | | 最終更新日 | 2023-08-09 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | A concerted, rational design of type 1 17beta-hydroxysteroid dehydrogenase inhibitors:
estradiol-adenosine hybrids with high affinity
FASEB J., 16, 2002
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6KDJ
 | | HIV-1 reverse transcriptase with Q151M/Y115F/F116Y:DNA:lamivudine 5'-triphosphate ternary complex | | 分子名称: | DNA/RNA (38-MER), GLYCEROL, HIV-1 RT p51 subunit, ... | | 著者 | Yasutake, Y, Hattori, S.I, Tamura, N, Maeda, K. | | 登録日 | 2019-07-02 | | 公開日 | 2020-03-04 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.51 Å) | | 主引用文献 | Structural features in common of HBV and HIV-1 resistance against chirally-distinct nucleoside analogues entecavir and lamivudine.
Sci Rep, 10, 2020
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4JNC
 | | Soluble Epoxide Hydrolase complexed with a carboxamide inhibitor | | 分子名称: | 1-[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]-N-[2-(trifluoromethyl)benzyl]piperidine-4-carboxamide, Bifunctional epoxide hydrolase 2 | | 著者 | Shewchuk, L.M. | | 登録日 | 2013-03-15 | | 公開日 | 2013-06-05 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | | 主引用文献 | Discovery of 1-(1,3,5-triazin-2-yl)piperidine-4-carboxamides as inhibitors of soluble epoxide hydrolase.
Bioorg.Med.Chem.Lett., 23, 2013
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6LF7
 | | Crystal structure of the complex of goat lactoperoxidase with hypothiocyanite and hydrogen peroxide at 1.79 A resolution. | | 分子名称: | 1,2-ETHANEDIOL, 1-(OXIDOSULFANYL)METHANAMINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Viswanathan, V, Tyagi, T.K, Singh, R.P, Singh, A.K, Singh, A, Bhushan, A, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. | | 登録日 | 2019-11-30 | | 公開日 | 2020-01-22 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (1.794 Å) | | 主引用文献 | Crystal structure of the complex of goat lactoperoxidase with hypothiocyanite and hydrogen peroxide at 1.79 A resolution.
To Be Published
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3BYZ
 | | 2-Amino-1,3-thiazol-4(5H)-ones as Potent and Selective 11-Hydroxysteroid Dehydrogenase Type 1 Inhibitors | | 分子名称: | (5S)-2-(cyclooctylamino)-5-methyl-5-propyl-1,3-thiazol-4(5H)-one, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | 著者 | Zhang, J, Jordan, S.R, Li, V. | | 登録日 | 2008-01-16 | | 公開日 | 2008-02-12 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.69 Å) | | 主引用文献 | 2-amino-1,3-thiazol-4(5H)-ones as potent and selective 11beta-hydroxysteroid dehydrogenase type 1 inhibitors: enzyme-ligand co-crystal structure and demonstration of pharmacodynamic effects in C57Bl/6 mice.
J.Med.Chem., 51, 2008
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3BHM
 | | Crystal structure of human Carbonyl Reductase 1 in complex with S-hydroxymethylglutathione | | 分子名称: | 2-AMINO-4-[1-CARBOXYMETHYL-CARBAMOYL)-2-HYDROXYMETHYLSULFANYL-ETHYLCARBAMOYL]-BUTYRIC ACID, 3-(4-AMINO-1-TERT-BUTYL-1H-PYRAZOLO[3,4-D]PYRIMIDIN-3-YL)PHENOL, Carbonyl reductase [NADPH] 1, ... | | 著者 | Bateman, R.L, Rauh, D, Shokat, K.M. | | 登録日 | 2007-11-28 | | 公開日 | 2008-10-21 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Human carbonyl reductase 1 is an s-nitrosoglutathione reductase
J.Biol.Chem., 283, 2008
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6KDK
 | | HIV-1 reverse transcriptase with Q151M/Y115F/F116Y:DNA:dCTP ternary complex | | 分子名称: | 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, DNA/RNA (38-MER), GLYCEROL, ... | | 著者 | Yasutake, Y, Hattori, S.I, Tamura, N, Maeda, K. | | 登録日 | 2019-07-02 | | 公開日 | 2020-03-04 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.56 Å) | | 主引用文献 | Structural features in common of HBV and HIV-1 resistance against chirally-distinct nucleoside analogues entecavir and lamivudine.
Sci Rep, 10, 2020
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7JHO
 | | Structure of human beta 1,3-N-acetylglucosaminyltransferase 2 with UDP | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | | 著者 | Hao, Y, Huang, X. | | 登録日 | 2020-07-21 | | 公開日 | 2020-11-18 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Structures and mechanism of human glycosyltransferase beta 1,3-N-acetylglucosaminyltransferase 2 (B3GNT2), an important player in immune homeostasis.
J.Biol.Chem., 296, 2020
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3NVS
 | | 1.02 Angstrom resolution crystal structure of 3-phosphoshikimate 1-carboxyvinyltransferase from Vibrio cholerae in complex with shikimate-3-phosphate (partially photolyzed) and glyphosate | | 分子名称: | (3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-1-ENE-1-CARBOXYLIC ACID, 3-phosphoshikimate 1-carboxyvinyltransferase, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | 著者 | Minasov, G, Light, S.H, Halavaty, A, Shuvalova, G, Papazisi, L, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | 登録日 | 2010-07-08 | | 公開日 | 2010-07-21 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.021 Å) | | 主引用文献 | 1.02 Angstrom Resolution Crystal Structure of 3-Phosphoshikimate 1-Carboxyvinyltransferase from Vibrio cholerae in complex with Shikimate-3-Phosphate (Partially Photolyzed) and Glyphosate
TO BE PUBLISHED
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6KDO
 | | HIV-1 reverse transcriptase with Q151M/Y115F/F116Y/M184V/F160M:DNA:lamivudine 5'-triphosphate ternary complex | | 分子名称: | DNA/RNA (38-MER), GLYCEROL, HIV-1 RT p51 subunit, ... | | 著者 | Yasutake, Y, Hattori, S.I, Tamura, N, Maeda, K. | | 登録日 | 2019-07-02 | | 公開日 | 2020-03-04 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.573 Å) | | 主引用文献 | Structural features in common of HBV and HIV-1 resistance against chirally-distinct nucleoside analogues entecavir and lamivudine.
Sci Rep, 10, 2020
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3BTO
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3CEA
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4KOA
 | | Crystal Structure Analysis of 1,5-anhydro-D-fructose reductase from Sinorhizobium meliloti | | 分子名称: | 1,5-anhydro-D-fructose reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | 著者 | Schu, M, Faust, A, Stosik, B, Kohring, G.-W, Giffhorn, F, Scheidig, A.J. | | 登録日 | 2013-05-11 | | 公開日 | 2013-08-07 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | | 主引用文献 | The structure of substrate-free 1,5-anhydro-D-fructose reductase from Sinorhizobium meliloti 1021 reveals an open enzyme conformation.
Acta Crystallogr.,Sect.F, 69, 2013
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1THG
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1QGU
 | | NITROGENASE MO-FE PROTEIN FROM KLEBSIELLA PNEUMONIAE, DITHIONITE-REDUCED STATE | | 分子名称: | 1,2-ETHANEDIOL, 3-HYDROXY-3-CARBOXY-ADIPIC ACID, CHLORIDE ION, ... | | 著者 | Mayer, S.M, Lawson, D.M, Gormal, C.A, Roe, S.M, Smith, B.E. | | 登録日 | 1999-05-06 | | 公開日 | 1999-11-01 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | New insights into structure-function relationships in nitrogenase: A 1.6 A resolution X-ray crystallographic study of Klebsiella pneumoniae MoFe-protein.
J.Mol.Biol., 292, 1999
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1BDM
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1VDV
 | | Bovine Milk Xanthine Dehydrogenase Y-700 Bound Form | | 分子名称: | 1-[3-CYANO-4-(NEOPENTYLOXY)PHENYL]-1H-PYRAZOLE-4-CARBOXYLIC ACID, ACETIC ACID, CALCIUM ION, ... | | 著者 | Fukunari, A, Okamoto, K, Nishino, T, Eger, B.T, Pai, E.F, Kamezawa, M, Yamada, I, Kato, N. | | 登録日 | 2004-03-25 | | 公開日 | 2004-12-21 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | | 主引用文献 | Y-700 [1-[3-Cyano-4-(2,2-dimethylpropoxy)phenyl]-1H-pyrazole-4-carboxylic acid]: a potent xanthine oxidoreductase inhibitor with hepatic excretion
J.Pharmacol.Exp.Ther., 311, 2004
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7EEJ
 | | Complex structure of glycoside hydrolase family 12 beta-1,3-1,4-glucanase with cellobiose | | 分子名称: | GLYCEROL, beta-D-mannopyranose-(1-4)-beta-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-beta-D-mannopyranose, glycoside hydrolase family 12 beta-1,3-1,4-glucanase | | 著者 | Jiang, Z.Q, Ma, J.W. | | 登録日 | 2021-03-18 | | 公開日 | 2022-03-23 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (1.47798049 Å) | | 主引用文献 | Structural and biochemical insights into the substrate-binding mechanism of a glycoside hydrolase family 12 beta-1,3-1,4-glucanase from Chaetomium sp.
J.Struct.Biol., 213, 2021
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7EEE
 | | Complex structure of glycoside hydrolase family 12 beta-1,3-1,4-glucanase with gentiobiose | | 分子名称: | GLYCEROL, beta-D-mannopyranose-(1-6)-beta-D-mannopyranose, glycoside hydrolase family 12 beta-1,3-1,4-glucanase | | 著者 | Jiang, Z.Q, Ma, J.W. | | 登録日 | 2021-03-18 | | 公開日 | 2022-03-23 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (1.660792 Å) | | 主引用文献 | Structural and biochemical insights into the substrate-binding mechanism of a glycoside hydrolase family 12 beta-1,3-1,4-glucanase from Chaetomium sp.
J.Struct.Biol., 213, 2021
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3AXD
 | | The truncated Fibrobacter succinogenes 1,3-1,4-beta-D-glucanase V18Y/W203Y in apo-form | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta-glucanase, CALCIUM ION | | 著者 | Huang, J.W, Cheng, Y.S, Ko, T.P, Lin, C.Y, Lai, H.L, Chen, C.C, Ma, Y, Huang, C.H, Zheng, Y, Liu, J.R, Guo, R.T. | | 登録日 | 2011-04-03 | | 公開日 | 2012-02-15 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.53 Å) | | 主引用文献 | Rational design to improve thermostability and specific activity of the truncated Fibrobacter succinogenes 1,3-1,4-beta-D-glucanase
Appl.Microbiol.Biotechnol., 94, 2012
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1QH8
 | | NITROGENASE MOFE PROTEIN FROM KLEBSIELLA PNEUMONIAE, AS-CRYSTALLIZED (MIXED OXIDATION) STATE | | 分子名称: | 1,2-ETHANEDIOL, 3-HYDROXY-3-CARBOXY-ADIPIC ACID, CHLORIDE ION, ... | | 著者 | Mayer, S.M, Lawson, D.M, Gormal, C.A, Roe, S.M, Smith, B.E. | | 登録日 | 1999-05-11 | | 公開日 | 1999-11-01 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | New insights into structure-function relationships in nitrogenase: A 1.6 A resolution X-ray crystallographic study of Klebsiella pneumoniae MoFe-protein.
J.Mol.Biol., 292, 1999
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1QH1
 | | NITROGENASE MOFE PROTEIN FROM KLEBSIELLA PNEUMONIAE, PHENOSAFRANIN OXIDIZED STATE | | 分子名称: | 1,2-ETHANEDIOL, 3-HYDROXY-3-CARBOXY-ADIPIC ACID, CHLORIDE ION, ... | | 著者 | Mayer, S.M, Lawson, D.M, Gormal, C.A, Roe, S.M, Smith, B.E. | | 登録日 | 1999-05-10 | | 公開日 | 1999-11-01 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | New insights into structure-function relationships in nitrogenase: A 1.6 A resolution X-ray crystallographic study of Klebsiella pneumoniae MoFe-protein.
J.Mol.Biol., 292, 1999
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