5OW9
 
 | | Vitamin D receptor complex | | 分子名称: | (1~{S},3~{Z})-3-[(2~{E})-2-[(1~{S},3~{a}~{S},7~{a}~{S})-7~{a}-methyl-1-[(2~{S})-6-methyl-2-oxidanyl-heptan-2-yl]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexan-1-ol, Nuclear receptor coactivator 1, Vitamin D3 receptor A | | 著者 | Rochel, N, Li, W. | | 登録日 | 2017-08-31 | | 公開日 | 2018-02-07 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.403 Å) | | 主引用文献 | Investigation of 20S-hydroxyvitamin D3 analogs and their 1 alpha-OH derivatives as potent vitamin D receptor agonists with anti-inflammatory activities.
Sci Rep, 8, 2018
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2A1E
 | | High resolution structure of HIV-1 PR with TS-126 | | 分子名称: | ACETATE ION, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | 著者 | Demitri, N, Geremia, S, Randaccio, L, Wuerges, J, Benedetti, F, Berti, F, Dinon, F, Campaner, P, Tell, G. | | 登録日 | 2005-06-20 | | 公開日 | 2006-02-21 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | A potent HIV protease inhibitor identified in an epimeric mixture by high-resolution protein crystallography.
Chemmedchem, 1, 2006
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2FTZ
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3ZK4
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1BTO
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1PGF
 | | PROSTAGLANDIN H2 SYNTHASE-1 COMPLEXED WITH 1-(4-IODOBENZOYL)-5-METHOXY-2-METHYLINDOLE-3-ACETIC ACID (IODOINDOMETHACIN), CIS MODEL | | 分子名称: | 1-(4-IODOBENZOYL)-5-METHOXY-2-METHYL INDOLE-3-ACETIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Loll, P.J, Picot, D, Garavito, R.M. | | 登録日 | 1995-12-02 | | 公開日 | 1997-01-11 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (4.5 Å) | | 主引用文献 | Synthesis and use of iodinated nonsteroidal antiinflammatory drug analogs as crystallographic probes of the prostaglandin H2 synthase cyclooxygenase active site.
Biochemistry, 35, 1996
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3SGZ
 | | High resolution crystal structure of rat long chain hydroxy acid oxidase in complex with the inhibitor 4-carboxy-5-[(4-chiorophenyl)sulfanyl]-1, 2, 3-thiadiazole. | | 分子名称: | 5-[(4-methylphenyl)sulfanyl]-1,2,3-thiadiazole-4-carboxylic acid, FLAVIN MONONUCLEOTIDE, Hydroxyacid oxidase 2 | | 著者 | Chen, Z, Vignaud, C, Jaafar, A, Gueritte, F, Guenard, D, Lederer, F, Mathews, F.S. | | 登録日 | 2011-06-15 | | 公開日 | 2012-03-07 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | | 主引用文献 | High resolution crystal structure of rat long chain hydroxy acid oxidase in complex with the inhibitor 4-carboxy-5-[(4-chlorophenyl)sulfanyl]-1, 2, 3-thiadiazole. Implications for inhibitor specificity and drug design.
Biochimie, 94, 2012
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1K4V
 | | 1.53 A Crystal Structure of the Beta-Galactoside-alpha-1,3-galactosyltransferase in Complex with UDP | | 分子名称: | GLYCEROL, MANGANESE (II) ION, N-ACETYLLACTOSAMINIDE ALPHA-1,3-GALACTOSYLTRANSFERASE, ... | | 著者 | Boix, E, Swaminathan, G.J, Zhang, Y, Natesh, R, Brew, K, Acharya, K.R. | | 登録日 | 2001-10-09 | | 公開日 | 2002-04-10 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (1.53 Å) | | 主引用文献 | Structure of UDP complex of UDP-galactose:beta-galactoside-alpha -1,3-galactosyltransferase at 1.53-A resolution reveals a conformational change in the catalytically important C terminus.
J.Biol.Chem., 276, 2001
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1DLQ
 | | STRUCTURE OF CATECHOL 1,2-DIOXYGENASE FROM ACINETOBACTER SP. ADP1 INHIBITED BY BOUND MERCURY | | 分子名称: | CATECHOL 1,2-DIOXYGENASE, FE (III) ION, MERCURY (II) ION, ... | | 著者 | Vetting, M.W, Ohlendorf, D.H. | | 登録日 | 1999-12-11 | | 公開日 | 2000-05-23 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | The 1.8 A crystal structure of catechol 1,2-dioxygenase reveals a novel hydrophobic helical zipper as a subunit linker.
Structure Fold.Des., 8, 2000
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1XUO
 | | X-ray structure of LFA-1 I-domain bound to a 1,4-diazepane-2,5-dione inhibitor at 1.8A resolution | | 分子名称: | (2R)-2-[3-ISOBUTYL-2,5-DIOXO-4-(QUINOLIN-3-YLMETHYL)-1,4-DIAZEPAN-1-YL]-N-METHYL-3-(2-NAPHTHYL)PROPANAMIDE, Integrin alpha-L, MAGNESIUM ION | | 著者 | Wattanasin, S, Kallen, J, Myers, S, Guo, Q, Sabio, M, Ehrhardt, C, Albert, R, Hommel, U, Weckbecker, G, Welzenbach, K. | | 登録日 | 2004-10-26 | | 公開日 | 2005-10-26 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | 1,4-Diazepane-2,5-diones as novel inhibitors of LFA-1
Bioorg.Med.Chem.Lett., 15, 2005
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2K01
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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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4H7C
 | | Crystal structure of human 17beta-hydroxysteroid dehydrogenase type 5 in complex with 1-{4-[(2-methyl-1-piperidinyl)sulfonyl]phenyl}-2-pyrrolidinone | | 分子名称: | 1-(4-{[(2R)-2-methylpiperidin-1-yl]sulfonyl}phenyl)-1,3-dihydro-2H-pyrrol-2-one, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | 著者 | Turnbull, A.P, Heinrich, D, Jamieson, S.M.F, Flanagan, J.U, Silva, S, Rigoreau, L.J.M, Trivier, E, Soudy, C, Samlal, S.S, Owen, P.J, Schroeder, E, Raynham, T, Denny, W.A. | | 登録日 | 2012-09-20 | | 公開日 | 2013-03-20 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | | 主引用文献 | Synthesis and structure-activity relationships for 1-(4-(piperidin-1-ylsulfonyl)phenyl)pyrrolidin-2-ones as novel non-carboxylate inhibitors of the aldo-keto reductase enzyme AKR1C3.
Eur.J.Med.Chem., 62C, 2013
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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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1DLM
 | | STRUCTURE OF CATECHOL 1,2-DIOXYGENASE FROM ACINETOBACTER CALCOACETICUS NATIVE DATA | | 分子名称: | CATECHOL 1,2-DIOXYGENASE, FE (III) ION, [1-PENTADECANOYL-2-DECANOYL-GLYCEROL-3-YL]PHOSPHONYL CHOLINE | | 著者 | Vetting, M.W, Ohlendorf, D.H. | | 登録日 | 1999-12-11 | | 公開日 | 2000-05-23 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | The 1.8 A crystal structure of catechol 1,2-dioxygenase reveals a novel hydrophobic helical zipper as a subunit linker.
Structure Fold.Des., 8, 2000
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1DMH
 | | STRUCTURE OF CATECHOL 1,2-DIOXYGENASE FROM ACINETOBACTER SP. ADP1 WITH BOUND 4-METHYLCATECHOL | | 分子名称: | 4-METHYLCATECHOL, CATECHOL 1,2-DIOXYGENASE, FE (III) ION, ... | | 著者 | Vetting, M.W, Ohlendorf, D.H. | | 登録日 | 1999-12-14 | | 公開日 | 2000-05-23 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | The 1.8 A crystal structure of catechol 1,2-dioxygenase reveals a novel hydrophobic helical zipper as a subunit linker.
Structure Fold.Des., 8, 2000
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3AXE
 | | The truncated Fibrobacter succinogenes 1,3-1,4-beta-D-glucanase V18Y/W203Y in complex with cellotetraose (cellobiose density was observed) | | 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 | 2011-04-04 | | 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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3QBX
 | | Crystal structure of pseudomonas aeruginosa 1,6-anhydro-n-actetylmuramic acid kinase (ANMK) bound to 1,6-anhydro-n-actetylmuramic acid | | 分子名称: | 2-(2-ACETYLAMINO-4-HYDROXY-6,8-DIOXA-BICYCLO[3.2.1]OCT-3-YLOXY)-PROPIONIC ACID, Anhydro-N-acetylmuramic acid kinase, SULFATE ION | | 著者 | Bacik, J.P, Martin, D.R, Mark, B.L. | | 登録日 | 2011-01-14 | | 公開日 | 2011-02-02 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Molecular Basis of 1,6-Anhydro Bond Cleavage and Phosphoryl Transfer by Pseudomonas aeruginosa 1,6-Anhydro-N-acetylmuramic Acid Kinase.
J.Biol.Chem., 286, 2011
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2YBB
 | | Fitted model for bovine mitochondrial supercomplex I1III2IV1 by single particle cryo-EM (EMD-1876) | | 分子名称: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, CALCIUM ION, CARDIOLIPIN, ... | | 著者 | Althoff, T, Mills, D.J, Popot, J.-L, Kuehlbrandt, W. | | 登録日 | 2011-03-02 | | 公開日 | 2011-10-19 | | 最終更新日 | 2024-11-20 | | 実験手法 | ELECTRON MICROSCOPY (19 Å) | | 主引用文献 | Arrangement of Electron Transport Chain Components in Bovine Mitochondrial Supercomplex I(1)III(2)Iv(1).
Embo J., 30, 2011
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2K05
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2HI0
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2BFN
 | | The crystal structure of the complex of the haloalkane dehalogenase LinB with the product of dehalogenation reaction 1,2-dichloropropane. | | 分子名称: | (2S)-2,3-DICHLOROPROPAN-1-OL, CALCIUM ION, CHLORIDE ION, ... | | 著者 | Banas, P, Otyepka, M, Jerabek, P, Vevodova, J, Bohac, M, Damborsky, J. | | 登録日 | 2004-12-09 | | 公開日 | 2006-06-26 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Weak Activity of Haloalkane Dehalogenase Linb with 1,2,3-Trichloropropane Revealed by X-Ray Crystallography and Microcalorimetry
Appl.Environ.Microbiol., 73, 2007
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2K04
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2K03
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3SLH
 | | 1.70 Angstrom resolution structure of 3-phosphoshikimate 1-carboxyvinyltransferase (AroA) from Coxiella burnetii in complex with shikimate-3-phosphate and glyphosate | | 分子名称: | (3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-1-ENE-1-CARBOXYLIC ACID, 1,2-ETHANEDIOL, 3-phosphoshikimate 1-carboxyvinyltransferase, ... | | 著者 | Light, S.H, Minasov, G, Filippova, E.V, Krishna, S.N, Shuvalova, L, Papazisi, L, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | 登録日 | 2011-06-24 | | 公開日 | 2011-07-20 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | 1.70 Angstrom resolution structure of 3-phosphoshikimate 1-carboxyvinyltransferase(AroA) from Coxiella burnetii in complex with shikimate-3-phosphate and glyphosate
To be Published
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