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6B1P
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BU of 6b1p by Molmil
Crystal Structure of Glutamate-tRNA Synthetase from Helicobacter pylori
Descriptor: 1,2-ETHANEDIOL, Glutamate--tRNA ligase 1
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2017-09-18
Release date:2017-09-27
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal Structure of Glutamate-tRNA Synthetase from Helicobacter pylori
to be published
6AO8
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BU of 6ao8 by Molmil
Crystal structure of arginyl-tRNA_synthetase from Neisseria gonorrhoeae in complex with arginine
Descriptor: ARGININE, Arginine--tRNA ligase, GLYCEROL
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2017-08-15
Release date:2017-08-30
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of arginyl-tRNA_synthetase from Neisseria gonorrhoeae in complex with arginine
To be Published
1WN6
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BU of 1wn6 by Molmil
Crystal Structure of Blasticidin S Deaminase (BSD) Complexed with Tetrahedral Intermediate of Blasticidin S
Descriptor: 6-(4-AMINO-4-HYDROXY-2-OXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YL)-3-[3-AMINO-5-(N-METHYL-GUANIDINO)-PENT ANOYLAMINO]-3,6-DIHYDRO-2H-PYRAN-2-CARBOXYLIC ACID, ARSENIC, Blasticidin-S deaminase, ...
Authors:Kumasaka, T, Yamamoto, M, Furuichi, M, Nakasako, M, Kimura, M, Yamaguchi, I, Ueki, T.
Deposit date:2004-07-27
Release date:2005-10-25
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structures of blasticidin S deaminase (BSD): implications for dynamic properties of catalytic zinc
J.Biol.Chem., 282, 2007
1EWO
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BU of 1ewo by Molmil
THE CYSTEINE PROTEASE CRUZAIN BOUND TO WRR-204
Descriptor: CRUZAIN, N-[N'-BENZYLOXYCARBONYL-PHENYLALANINYL]-3-AMINO-5-PHENYL-PENTANE-1-SULFONIC ACID PHENYL ESTER
Authors:Brinen, L.S, Gillmor, S.A, Fletterick, R.J.
Deposit date:2000-04-26
Release date:2003-06-10
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structure of Cruzain bound to WRR-204
To be Published
3LGT
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BU of 3lgt by Molmil
Y162A/H198P double mutant of DegS-deltaPDZ protease
Descriptor: Protease degS
Authors:Sohn, J, Grant, R.A, Sauer, R.T.
Deposit date:2010-01-21
Release date:2010-08-25
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:Allostery is an intrinsic property of the protease domain of DegS: implications for enzyme function and evolution.
J.Biol.Chem., 285, 2010
6PA2
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BU of 6pa2 by Molmil
E. coli L-asparaginase II mutant (K162M) in complex with L-Asp at pH 5.6
Descriptor: ASPARTIC ACID, GLYCEROL, L-asparaginase 2
Authors:Lubkowski, J, Wlodawer, A.
Deposit date:2019-06-11
Release date:2019-09-04
Last modified:2019-10-02
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Geometric considerations support the double-displacement catalytic mechanism of l-asparaginase.
Protein Sci., 28, 2019
2RFB
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BU of 2rfb by Molmil
Crystal Structure of a Cytochrome P450 from the Thermoacidophilic Archaeon Picrophilus Torridus
Descriptor: Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
Authors:Ho, W.W, Li, H, Poulos, T.L, Nishida, C.R, Ortiz de Montellano, P.R.
Deposit date:2007-09-28
Release date:2008-01-29
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal Structure and Properties of CYP231A2 from the Thermoacidophilic Archaeon Picrophilus torridus.
Biochemistry, 47, 2008
8K7Y
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BU of 8k7y by Molmil
Crystal structure of GH146 beta-L-arabinofuranosidase Bll3HypBA1 (amino acids 380-1051), ligand-free form
Descriptor: ZINC ION, beta1,3-L-arabinofuranoside
Authors:Maruyama, S, Pan, L, Miyake, M, Fujita, K, Fushinobu, S.
Deposit date:2023-07-27
Release date:2024-02-21
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Bifidobacterial GH146 beta-L-arabinofuranosidase for the removal of beta 1,3-L-arabinofuranosides on plant glycans.
Appl.Microbiol.Biotechnol., 108, 2024
5M96
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BU of 5m96 by Molmil
Synthesis and biological evaluation of new triazolo and imidazolopyridine RORgt inverse agonists
Descriptor: Nuclear receptor ROR-gamma, ~{N}-[8-[[(3~{S})-4-cyclopentylcarbonyl-3-methyl-piperazin-1-yl]methyl]-7-methyl-imidazo[1,2-a]pyridin-6-yl]-2-methyl-pyrimidine-5-carboxamide
Authors:Kallen, J.
Deposit date:2016-10-31
Release date:2016-12-14
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Synthesis and Biological Evaluation of New Triazolo- and Imidazolopyridine ROR gamma t Inverse Agonists.
ChemMedChem, 11, 2016
5GL7
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BU of 5gl7 by Molmil
Crystal structure of a truncated human cytosolic methionyl-tRNA synthetase
Descriptor: GLYCEROL, Methionine--tRNA ligase, cytoplasmic, ...
Authors:Cho, H.Y, Lee, H.J, Kang, B.S.
Deposit date:2016-07-08
Release date:2017-07-12
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.013 Å)
Cite:Crystal structure of a truncated human cytosolic methionyl-tRNA synthetase
To Be Published
8VL8
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BU of 8vl8 by Molmil
Salmonella enterica Typhimurium taxis to serine and repellents (Tsr) ligand-binding domain with L-Ser, pH 7
Descriptor: CHLORIDE ION, Methyl-accepting chemotaxis protein, POTASSIUM ION, ...
Authors:Glenn, S, Baylink, A.
Deposit date:2024-01-11
Release date:2024-04-03
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Human Serum is a Potent Chemoattractant for Enterobacteriaceae Species Associated with Gastrointestinal Bleeding
eLife, 2024
6PA4
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BU of 6pa4 by Molmil
E. coli L-asparaginase II double mutant (T89V,K162T) in complex with L-Asp at pH 7.0
Descriptor: ASPARTIC ACID, GLYCEROL, L-asparaginase 2
Authors:Lubkowski, J, Wlodawer, A.
Deposit date:2019-06-11
Release date:2019-09-04
Last modified:2020-08-19
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Geometric considerations support the double-displacement catalytic mechanism of l-asparaginase.
Protein Sci., 28, 2019
7PS9
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BU of 7ps9 by Molmil
Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with Iberdomide (CC-220)
Descriptor: (3S)-3-[4-({4-[(morpholin-4-yl)methyl]phenyl}methoxy)-1-oxo-1,3-dihydro-2H-isoindol-2-yl]piperidine-2,6-dione, Cereblon isoform 4, ZINC ION
Authors:Heim, C, Hartmann, M.D.
Deposit date:2021-09-22
Release date:2022-03-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:High-resolution structures of the bound effectors avadomide (CC-122) and iberdomide (CC-220) highlight advantages and limitations of the MsCI4 soaking system.
Acta Crystallogr D Struct Biol, 78, 2022
5GTD
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BU of 5gtd by Molmil
o-Succinylbenzoate CoA Synthetase (MenE) from Bacillus Subtilis in Complex with the Acyl-adenylate Intermediate OSB-AMP
Descriptor: 2-SUCCINYLBENZOATE, 2-succinylbenzoate--CoA ligase, ADENOSINE MONOPHOSPHATE, ...
Authors:Chen, Y, Guo, Z.
Deposit date:2016-08-20
Release date:2017-01-04
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Mechanistic Insights from the Crystal Structure of Bacillus subtilis o-Succinylbenzoyl-CoA Synthetase Complexed with the Adenylate Intermediate
Biochemistry, 55, 2016
6YI7
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BU of 6yi7 by Molmil
Structure of cathepsin B1 from Schistosoma mansoni (SmCB1) in complex with an azanitrile inhibitor
Descriptor: 1-[(2~{S})-1-[[iminomethyl(methyl)amino]-methyl-amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-3-(phenylmethyl)urea, ACETATE ION, Cathepsin B-like peptidase (C01 family)
Authors:Jilkova, A, Rezacova, P, Pachl, P, Fanfrlik, J, Rubesova, P, Guetschow, M, Mares, M.
Deposit date:2020-04-01
Release date:2020-12-16
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.29 Å)
Cite:Azanitrile Inhibitors of the SmCB1 Protease Target Are Lethal to Schistosoma mansoni : Structural and Mechanistic Insights into Chemotype Reactivity.
Acs Infect Dis., 7, 2021
3IC2
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BU of 3ic2 by Molmil
Crystal Structure of liganded hemoglobin in complex with a potent antisickling agent, INN-266
Descriptor: 4-[(5-methoxy-2-methylphenoxy)methyl]pyridine, Hemoglobin subunit alpha, Hemoglobin subunit beta, ...
Authors:Safo, M.K, Musayev, F.N, Gandhi, A.K, Jorge, P.
Deposit date:2009-07-17
Release date:2009-07-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural and in Vitro Chracterization of Pyridyl Derivatives of Benzaldehydes: Highly Potent Antisickling Agents
To be Published
6M0T
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BU of 6m0t by Molmil
Crystal Structure of Lysyl-tRNA Synthetase from Plasmodium falciparum complexed with L-lysine and Cladosporin derivative (CL-2)
Descriptor: (3R)-3-[(R)-[(2R,6S)-6-methyloxan-2-yl]-oxidanyl-methyl]-6,8-bis(oxidanyl)-3,4-dihydroisochromen-1-one, LYSINE, Lysine--tRNA ligase
Authors:Babbar, P, Sharma, A, Manickam, Y.
Deposit date:2020-02-22
Release date:2021-04-21
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:Design, Synthesis, and Structural Analysis of Cladosporin-Based Inhibitors of Malaria Parasites.
Acs Infect Dis., 7, 2021
3MHC
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BU of 3mhc by Molmil
Crystal structure of human cabonic anhydrase II in adduct with an adamantyl analogue of acetazolamide in a novel hydrophobic binding pocket
Descriptor: (3S,5S,7S)-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)tricyclo[3.3.1.1~3,7~]decane-1-carboxamide, Carbonic anhydrase 2, ZINC ION
Authors:Avvaru, B.S.
Deposit date:2010-04-07
Release date:2010-07-21
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.698 Å)
Cite:Carbonic anhydrase inhibitors. The X-ray crystal structure of human isoform II in adduct with an adamantyl analogue of acetazolamide resides in a less utilized binding pocket than most hydrophobic inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
3PH7
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BU of 3ph7 by Molmil
Crystal structure of Plasmodium vivax putative polyprenyl pyrophosphate synthase in complex with geranylgeranyl diphosphate
Descriptor: Farnesyl pyrophosphate synthase, GERANYLGERANYL DIPHOSPHATE
Authors:Wernimont, A.K, Dunford, J, Lew, J, Zhao, Y, Kozieradzki, I, Cossar, D, Schapiro, M, Bochkarev, A, Arrowsmith, C.H, Bountra, C, Weigelt, J, Edwards, A.M, Hui, R, Artz, J.D, Structural Genomics Consortium (SGC)
Deposit date:2010-11-03
Release date:2010-11-17
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Molecular characterization of a novel geranylgeranyl pyrophosphate synthase from Plasmodium parasites.
J.Biol.Chem., 286, 2011
4YCU
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BU of 4ycu by Molmil
Crystal structure of cladosporin in complex with human lysyl-tRNA synthetase
Descriptor: Aminoacyl tRNA synthase complex-interacting multifunctional protein 2, GLYCEROL, LYSINE, ...
Authors:Fang, P, Wang, J, Guo, M.
Deposit date:2015-02-20
Release date:2015-06-10
Last modified:2019-12-25
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural Basis for Specific Inhibition of tRNA Synthetase by an ATP Competitive Inhibitor.
Chem. Biol., 22, 2015
4FL7
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BU of 4fl7 by Molmil
The crystal structure of human carbonic anhydrase II in complex with N-(Hydroxy)-benzamide
Descriptor: BENZHYDROXAMIC ACID, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Di Fiore, A, De Simone, G.
Deposit date:2012-06-14
Release date:2012-08-15
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Hydroxamate represents a versatile zinc binding group for the development of new carbonic anhydrase inhibitors.
Chem.Commun.(Camb.), 48, 2012
4RQF
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BU of 4rqf by Molmil
human Seryl-tRNA synthetase dimer complexed with one molecule of tRNAsec
Descriptor: PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, SERINE, Serine--tRNA ligase, ...
Authors:Xie, W, Wang, C, Guo, Y, Tian, Q, Jia, Q.
Deposit date:2014-11-03
Release date:2015-11-04
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.503 Å)
Cite:SerRS-tRNASec complex structures reveal mechanism of the first step in selenocysteine biosynthesis.
Nucleic Acids Res., 43, 2015
2BJ4
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BU of 2bj4 by Molmil
ESTROGEN RECEPTOR ALPHA LBD IN COMPLEX WITH A PHAGE-DISPLAY DERIVED PEPTIDE ANTAGONIST
Descriptor: 4-HYDROXYTAMOXIFEN, ESTROGEN RECEPTOR, PEPTIDE ANTAGONIST
Authors:Kong, E, Heldring, N, Gustafsson, J.A, Treuter, E, Hubbard, R.E, Pike, A.C.W.
Deposit date:2005-01-28
Release date:2005-02-16
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Delineation of a Unique Protein-Protein Interaction Site on the Surface of the Estrogen Receptor
Proc.Natl.Acad.Sci.USA, 102, 2005
4RR6
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BU of 4rr6 by Molmil
N-terminal editing domain of threonyl-tRNA synthetase from Aeropyrum pernix with L-Ser3AA (snapshot 1)
Descriptor: Probable threonine--tRNA ligase 2, SERINE-3'-AMINOADENOSINE
Authors:Ahmad, S, Muthukumar, S, Yerabham, A.S.K, Kamarthapu, V, Sankaranarayanan, R.
Deposit date:2014-11-06
Release date:2015-07-15
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Specificity and catalysis hardwired at the RNA-protein interface in a translational proofreading enzyme.
Nat Commun, 6, 2015
4RRQ
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BU of 4rrq by Molmil
K121M mutant of N-terminal editing domain of threonyl-tRNA synthetase from Pyrococcus abyssi with L-Ser3AA
Descriptor: SERINE-3'-AMINOADENOSINE, Threonine--tRNA ligase
Authors:Hussain, T, Kamarthapu, V, Sankaranarayanan, R.
Deposit date:2014-11-06
Release date:2015-07-15
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Specificity and catalysis hardwired at the RNA-protein interface in a translational proofreading enzyme.
Nat Commun, 6, 2015

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