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3S82
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BU of 3s82 by Molmil
Structure of a S-adenosylmethionine synthetase from Mycobacterium avium
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, GLYCEROL, ...
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2011-05-27
Release date:2011-06-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
3KRK
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BU of 3krk by Molmil
X-ray crystal structure of arachidonic acid bound in the cyclooxygenase channel of L531F murine COX-2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACRYLIC ACID, ...
Authors:Vecchio, A.J, Simmons, D.M, Malkowski, M.G.
Deposit date:2009-11-18
Release date:2010-05-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural basis of fatty acid substrate binding to cyclooxygenase-2.
J.Biol.Chem., 285, 2010
4PH9
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BU of 4ph9 by Molmil
The structure of Ibuprofen bound to cyclooxygenase-2
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Orlando, B.J, Lucido, M.J, Malkowski, M.G.
Deposit date:2014-05-05
Release date:2014-11-26
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:The structure of ibuprofen bound to cyclooxygenase-2.
J.Struct.Biol., 189, 2015
8K20
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BU of 8k20 by Molmil
Cryo-EM structure of KEOPS complex from Arabidopsis thaliana
Descriptor: At4g34412, At5g53043, FE (III) ION, ...
Authors:Zheng, X.X, Zhu, L, Duan, L, Zhang, W.H.
Deposit date:2023-07-11
Release date:2024-04-03
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Molecular basis of A. thaliana KEOPS complex in biosynthesizing tRNA t6A.
Nucleic Acids Res., 52, 2024
5W58
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BU of 5w58 by Molmil
Crystal Complex of Cyclooxygenase-2: (S)-ARN-2508 (a dual COX and FAAH inhibitor)
Descriptor: (2S)-2-{2-fluoro-3'-[(hexylcarbamoyl)oxy][1,1'-biphenyl]-4-yl}propanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Xu, S, Goodman, M.C, Banerjee, S, Piomelli, D, Marnett, L.J.
Deposit date:2017-06-14
Release date:2018-01-31
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.267 Å)
Cite:Dual cyclooxygenase-fatty acid amide hydrolase inhibitor exploits novel binding interactions in the cyclooxygenase active site.
J. Biol. Chem., 293, 2018
2BTY
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BU of 2bty by Molmil
Acetylglutamate kinase from Thermotoga maritima complexed with its inhibitor arginine
Descriptor: ACETYLGLUTAMATE KINASE, ARGININE, N-ACETYL-L-GLUTAMATE, ...
Authors:Gil-Ortiz, F, Fernandez-Murga, M.L, Fita, I, Rubio, V.
Deposit date:2005-06-08
Release date:2005-12-13
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Structural Bases of Feed-Back Control of Arginine Biosynthesis, Revealed by the Structure of Two Hexameric N-Acetylglutamate Kinases, from Thermotoga Maritima and Pseudomonas Aeruginosa
J.Mol.Biol., 356, 2006
3MDL
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BU of 3mdl by Molmil
X-ray crystal structure of 1-arachidonoyl glycerol bound to the cyclooxygenase channel of cyclooxygenase-2
Descriptor: (2S)-2,3-dihydroxypropyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Vecchio, A.J, Malkowski, M.G.
Deposit date:2010-03-30
Release date:2011-04-13
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The structural basis of endocannabinoid oxygenation by cyclooxygenase-2.
J.Biol.Chem., 286, 2011
4KR6
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BU of 4kr6 by Molmil
Crystal structure of a 4-thiouridine synthetase - RNA complex
Descriptor: MERCURY (II) ION, Probable tRNA sulfurtransferase, RNA (39-MER)
Authors:Neumann, P, Ficner, R, Lakomek, K.
Deposit date:2013-05-16
Release date:2014-04-23
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Crystal structure of a 4-thiouridine synthetase-RNA complex reveals specificity of tRNA U8 modification.
Nucleic Acids Res., 42, 2014
4KR9
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BU of 4kr9 by Molmil
Crystal structure of a 4-thiouridine synthetase - RNA complex at 3.5 Angstrom resolution
Descriptor: Probable tRNA sulfurtransferase, RNA (39-MER)
Authors:Neumann, P, Ficner, R, Lakomek, K.
Deposit date:2013-05-16
Release date:2014-04-23
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Crystal structure of a 4-thiouridine synthetase-RNA complex reveals specificity of tRNA U8 modification.
Nucleic Acids Res., 42, 2014
3A2K
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BU of 3a2k by Molmil
Crystal structure of TilS complexed with tRNA
Descriptor: bacterial tRNA, tRNA(Ile)-lysidine synthase
Authors:Nakanishi, K, Bonnefond, L, Ishitani, R, Nureki, O.
Deposit date:2009-05-23
Release date:2009-10-20
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (3.65 Å)
Cite:Structural basis for translational fidelity ensured by transfer RNA lysidine synthetase.
Nature, 461, 2009
3IHL
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BU of 3ihl by Molmil
Human CTPS2 crystal structure
Descriptor: ADENOSINE-5'-DIPHOSPHATE, CTP synthase 2, PHOSPHATE ION
Authors:Moche, M, Siponen, M.I, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Karlberg, T, Kotenyova, T, Kotzsch, A, Kragh Nielsen, T, Nyman, T, Persson, C, Roos, A.K, Sagemark, J, Schueler, H, Schutz, P, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Weigelt, J, Welin, M, Wisniewska, M, Nordlund, P, Structural Genomics Consortium (SGC)
Deposit date:2009-07-30
Release date:2009-10-13
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Human CTPS2 crystal structure
To be Published
3NTG
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BU of 3ntg by Molmil
Crystal structure of COX-2 with selective compound 23d-(R)
Descriptor: (2R)-6,8-dichloro-7-(2-methylpropoxy)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Wang, J.L, Limburg, D, Graneto, M.J, Carter, J.C, Talley, J.J, Kiefer, J.R.
Deposit date:2010-07-04
Release date:2010-10-27
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:The novel benzopyran class of selective cyclooxygenase-2 inhibitors. Part 2: The second clinical candidate having a shorter and favorable human half-life.
Bioorg.Med.Chem.Lett., 20, 2010
3TZI
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BU of 3tzi by Molmil
X-ray crystal structure of arachidonic acid bound in the cyclooxygenase channel of G533V murine COX-2
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Vecchio, A.J, Malkowski, M.G.
Deposit date:2011-09-27
Release date:2012-04-25
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Investigating Substrate Promiscuity in Cyclooxygenase-2: THE ROLE OF ARG-120 AND RESIDUES LINING THE HYDROPHOBIC GROOVE.
J.Biol.Chem., 287, 2012
3AJE
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BU of 3aje by Molmil
Crystal structure of S. tokodaii Sua5 complexed with L-threonine and AMPPNP
Descriptor: NITRATE ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Putative uncharacterized protein ST1526, ...
Authors:Kuratani, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2010-06-01
Release date:2011-04-13
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of Sulfolobus tokodaii Sua5 complexed with L-threonine and AMPPNP
Proteins, 79, 2011
4IZ6
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BU of 4iz6 by Molmil
Structure of EntE and EntB, an NRPS adenylation-PCP fusion protein with pseudo translational symmetry
Descriptor: 4'-PHOSPHOPANTETHEINE, 5'-deoxy-5'-({[2-(2,3-dihydroxyphenyl)ethyl]sulfonyl}amino)adenosine, Enterobactin synthase component E, ...
Authors:Gulick, A.M, Sundlov, J.A.
Deposit date:2013-01-29
Release date:2013-07-31
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure determination of the functional domain interaction of a chimeric nonribosomal peptide synthetase from a challenging crystal with noncrystallographic translational symmetry.
Acta Crystallogr.,Sect.D, 69, 2013
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)
Descriptor: LEUCYL TRNA SYNTHASE
Authors: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.
Deposit date:2015-11-18
Release date:2016-06-22
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Anti-Malarial Benzoxaboroles Target P. Falciparum Leucyl-tRNA Synthetase.
Antimicrob.Agents Chemother., 60, 2016
1YP2
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BU of 1yp2 by Molmil
Crystal structure of potato tuber ADP-glucose pyrophosphorylase
Descriptor: Glucose-1-phosphate adenylyltransferase small subunit, PARA-MERCURY-BENZENESULFONIC ACID, SULFATE ION
Authors:Jin, X, Ballicora, M.A, Preiss, J, Geiger, J.H.
Deposit date:2005-01-29
Release date:2005-03-15
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Crystal structure of potato tuber ADP-glucose pyrophosphorylase.
Embo J., 24, 2005
7A5K
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BU of 7a5k by Molmil
Structure of the human mitoribosome in the post translocation state bound to mtEF-G1
Descriptor: 12S rRNA, 16S rRNA, 28S ribosomal protein S10, ...
Authors:Desai, N, Yang, H, Chandrasekaran, V, Kazi, R, Minczuk, M, Ramakrishnan, V.
Deposit date:2020-08-21
Release date:2020-12-23
Last modified:2022-12-07
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Elongational stalling activates mitoribosome-associated quality control.
Science, 370, 2020
4U98
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BU of 4u98 by Molmil
Structure of mycobacterial maltokinase, the missing link in the essential GlgE-pathway (AppCp complex)
Descriptor: MAGNESIUM ION, Maltokinase, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER
Authors:Fraga, J, Empadinhas, N, Pereira, P.J.B, Macedo-Ribeiro, S.
Deposit date:2014-08-05
Release date:2015-02-11
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Structure of mycobacterial maltokinase, the missing link in the essential GlgE-pathway.
Sci Rep, 5, 2015
3HS7
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BU of 3hs7 by Molmil
X-ray crystal structure of docosahexaenoic acid bound to the cyclooxygenase channel of cyclooxygenase-2
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Vecchio, A.J, Simmons, D.M, Malkowski, M.G.
Deposit date:2009-06-10
Release date:2010-05-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structural basis of fatty acid substrate binding to cyclooxygenase-2.
J.Biol.Chem., 285, 2010
4U94
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BU of 4u94 by Molmil
Structure of mycobacterial maltokinase, the missing link in the essential GlgE-pathway
Descriptor: MAGNESIUM ION, Maltokinase
Authors:Fraga, J, Empadinhas, N, Pereira, P.J.B, Macedo-Ribeiro, S.
Deposit date:2014-08-05
Release date:2015-02-11
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.473 Å)
Cite:Structure of mycobacterial maltokinase, the missing link in the essential GlgE-pathway.
Sci Rep, 5, 2015
5ZY9
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BU of 5zy9 by Molmil
Structural basis for a tRNA synthetase
Descriptor: (1R,2R)-2-[(2S,4E,6E,8R,9S,11R,13S,15S,16S)-7-cyano-8,16-dihydroxy-9,11,13,15-tetramethyl-18-oxooxacyclooctadeca-4,6-dien-2-yl]cyclopentanecarboxylic acid, Threonyl-tRNA synthase, ZINC ION
Authors:Zhang, J.
Deposit date:2018-05-23
Release date:2019-06-12
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis for inhibition of translational functions on a tRNA synthetase
To Be Published
2AT1
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BU of 2at1 by Molmil
CRYSTAL STRUCTURES OF PHOSPHONOACETAMIDE LIGATED T AND PHOSPHONOACETAMIDE AND MALONATE LIGATED R STATES OF ASPARTATE CARBAMOYLTRANSFERASE AT 2.8-ANGSTROMS RESOLUTION AND NEUTRAL PH
Descriptor: ASPARTATE CARBAMOYLTRANSFERASE (R STATE), CATALYTIC CHAIN, ASPARTATE CARBAMOYLTRANSFERASE REGULATORY CHAIN, ...
Authors:Gouaux, J.E, Lipscomb, W.N.
Deposit date:1989-09-22
Release date:1990-10-15
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structures of phosphonoacetamide ligated T and phosphonoacetamide and malonate ligated R states of aspartate carbamoyltransferase at 2.8-A resolution and neutral pH.
Biochemistry, 29, 1990
4M11
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BU of 4m11 by Molmil
Crystal Structure of Murine Cyclooxygenase-2 Complex with Meloxicam
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-2H-1,2-benzothiazine-3-carboxamide 1,1-dioxide, ...
Authors:Xu, S, Banerjee, S, Hermanson, D.J, Marnett, L.J.
Deposit date:2013-08-02
Release date:2014-01-22
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Oxicams Bind in a Novel Mode to the Cyclooxygenase Active Site via a Two-water-mediated H-bonding Network.
J.Biol.Chem., 289, 2014
4M10
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BU of 4m10 by Molmil
Crystal Structure of Murine Cyclooxygenase-2 Complex with Isoxicam
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-hydroxy-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2H-1,2-benzothiazine-3-carboxamide 1,1-dioxide, ...
Authors:Xu, S, Hermanson, D.J, Banerjee, S, Ghebreelasie, K, Marnett, L.J.
Deposit date:2013-08-02
Release date:2014-01-22
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Oxicams Bind in a Novel Mode to the Cyclooxygenase Active Site via a Two-water-mediated H-bonding Network.
J.Biol.Chem., 289, 2014

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數據於2024-08-28公開中

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