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4MY4
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BU of 4my4 by Molmil
Crystal structure of phosphoglycerate mutase from Staphylococcus aureus.
Descriptor: 2,3-bisphosphoglycerate-independent phosphoglycerate mutase, MANGANESE (II) ION
Authors:Roychowdhury, A, Kundu, A, Gujar, A, Bose, M, Das, A.K.
Deposit date:2013-09-27
Release date:2013-10-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Complete catalytic cycle of cofactor-independent phosphoglycerate mutase involves a spring-loaded mechanism
Febs J., 282, 2015
4Y6G
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BU of 4y6g by Molmil
Crystal structure of Tryptophan Synthase from Salmonella typhimurium in complex with N-(4'-trifluoromethoxybenzoyl)-2-amino-1-ethylphosphate (F6F) inhibitor in the alpha-site and beta-site.
Descriptor: 2-{[4-(TRIFLUOROMETHOXY)BENZOYL]AMINO}ETHYL DIHYDROGEN PHOSPHATE, PYRIDOXAL-5'-PHOSPHATE, SODIUM ION, ...
Authors:Hilario, E, Caulkins, B.G, Young, R.P, Dunn, M.F, Mueller, L.J, Fan, L.
Deposit date:2015-02-13
Release date:2016-02-10
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Visualizing the tunnel in tryptophan synthase with crystallography: Insights into a selective filter for accommodating indole and rejecting water.
Biochim.Biophys.Acta, 1864, 2016
3V16
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BU of 3v16 by Molmil
An intramolecular pi-cation latch in phosphatidylinositol-specific phospholipase C from S.aureus controls substrate access to the active site
Descriptor: 1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANE, 1-phosphatidylinositol phosphodiesterase, CHLORIDE ION
Authors:Goldstein, R.I, Cheng, J, Stec, B, Roberts, M.F.
Deposit date:2011-12-09
Release date:2012-04-04
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structure of the S. aureus PI-Specific Phospholipase C Reveals Modulation of Active Site Access by a Titratable PI-Cation Latched Loop
Biochemistry, 51, 2012
4YRO
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BU of 4yro by Molmil
Crystal structure of T. cruzi Histidyl-tRNA synthetase in complex with 5-bromo-6-methylpyridin-2-amine (Chem 491)
Descriptor: 1,2-ETHANEDIOL, 5-bromo-6-methylpyridin-2-amine, DIMETHYL SULFOXIDE, ...
Authors:Koh, C.-Y, Hol, W.G.J.
Deposit date:2015-03-15
Release date:2015-08-12
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A binding hotspot in Trypanosoma cruzi histidyl-tRNA synthetase revealed by fragment-based crystallographic cocktail screens.
Acta Crystallogr. D Biol. Crystallogr., 71, 2015
2JDL
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BU of 2jdl by Molmil
Structure of C-terminal region of acidic P2 ribosomal protein complexed with trichosanthin
Descriptor: ACIDIC RIBOSOMAL PROTEIN P2, RIBOSOME-INACTIVATING PROTEIN ALPHA-TRICHOSANTHIN
Authors:Too, P.H, Mak, A.N, Zhu, G, Au, S.W, Wong, K.B, Shaw, P.C.
Deposit date:2007-01-11
Release date:2008-02-05
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The C-Terminal Fragment of the Ribosomal P Protein Complexed to Trichosanthin Reveals the Interaction between the Ribosome-Inactivating Protein and the Ribosome.
Nucleic Acids Res., 37, 2009
4YRL
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BU of 4yrl by Molmil
Crystal structure of T. cruzi Histidyl-tRNA synthetase in complex with 4-(methylsulfanyl)aniline (Chem 262)
Descriptor: 1,2-ETHANEDIOL, 4-(methylsulfanyl)aniline, DIMETHYL SULFOXIDE, ...
Authors:Koh, C.-Y, Hol, W.G.J.
Deposit date:2015-03-15
Release date:2015-08-12
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A binding hotspot in Trypanosoma cruzi histidyl-tRNA synthetase revealed by fragment-based crystallographic cocktail screens.
Acta Crystallogr. D Biol. Crystallogr., 71, 2015
7JS4
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BU of 7js4 by Molmil
The structure of the M60 catalytic domain with the CBM51-1 and CBM51-2 domains from Clostridium perfringens ZmpB
Descriptor: F5/8 type C domain protein
Authors:Pluvinage, B, Boraston, A.B.
Deposit date:2020-08-13
Release date:2021-02-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (4.6 Å)
Cite:Architecturally complex O -glycopeptidases are customized for mucin recognition and hydrolysis.
Proc.Natl.Acad.Sci.USA, 118, 2021
4YP0
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BU of 4yp0 by Molmil
Crystal structure of T. cruzi Histidyl-tRNA synthetase in complex with 5-aminoisoquinoline (Chem 79)
Descriptor: 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, HISTIDINE, ...
Authors:Koh, C.-Y, Hol, W.G.J.
Deposit date:2015-03-12
Release date:2015-08-12
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A binding hotspot in Trypanosoma cruzi histidyl-tRNA synthetase revealed by fragment-based crystallographic cocktail screens.
Acta Crystallogr. D Biol. Crystallogr., 71, 2015
4YRJ
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BU of 4yrj by Molmil
Crystal structure of T. cruzi Histidyl-tRNA synthetase in complex with 4-chlorobenzene-1,2-diamine (Chem 256)
Descriptor: 1,2-ETHANEDIOL, 4-chlorobenzene-1,2-diamine, DIMETHYL SULFOXIDE, ...
Authors:Koh, C.-Y, Hol, W.G.J.
Deposit date:2015-03-15
Release date:2015-08-12
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A binding hotspot in Trypanosoma cruzi histidyl-tRNA synthetase revealed by fragment-based crystallographic cocktail screens.
Acta Crystallogr. D Biol. Crystallogr., 71, 2015
4YRE
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BU of 4yre by Molmil
Crystal structure of T. cruzi Histidyl-tRNA synthetase in complex with (2-bromophenyl)methanol (Chem 145)
Descriptor: (2-bromophenyl)methanol, 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, ...
Authors:Koh, C.-Y, Hol, W.G.J.
Deposit date:2015-03-15
Release date:2015-08-12
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:A binding hotspot in Trypanosoma cruzi histidyl-tRNA synthetase revealed by fragment-based crystallographic cocktail screens.
Acta Crystallogr. D Biol. Crystallogr., 71, 2015
8A2H
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BU of 8a2h by Molmil
human STING in complex with 2',3'-cyclic-GMP-7-deazaphenyl-AMP
Descriptor: 2-azanyl-9-[(1~{R},6~{R},8~{R},9~{R},10~{S},15~{R},17~{R},18~{R})-8-(4-azanyl-5-phenyl-pyrrolo[2,3-d]pyrimidin-7-yl)-3,9,12,18-tetrakis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{6,10}]octadecan-17-yl]-1~{H}-purin-6-one, Stimulator of interferon genes protein
Authors:Smola, M, Vavrina, Z, Boura, E, Brynda, J.
Deposit date:2022-06-03
Release date:2022-10-12
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Design, Synthesis, and Biochemical and Biological Evaluation of Novel 7-Deazapurine Cyclic Dinucleotide Analogues as STING Receptor Agonists.
J.Med.Chem., 65, 2022
4YRF
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BU of 4yrf by Molmil
Crystal structure of T. cruzi Histidyl-tRNA synthetase in complex with 5-bromopyridin-2(1H)-one (Chem 148)
Descriptor: 1,2-ETHANEDIOL, 5-bromopyridin-2(1H)-one, DIMETHYL SULFOXIDE, ...
Authors:Koh, C.-Y, Hol, W.G.J.
Deposit date:2015-03-15
Release date:2015-08-19
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:A binding hotspot in Trypanosoma cruzi histidyl-tRNA synthetase revealed by fragment-based crystallographic cocktail screens.
Acta Crystallogr.,Sect.D, 71, 2015
4YRN
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BU of 4yrn by Molmil
Crystal structure of T. cruzi Histidyl-tRNA synthetase in complex with 6-bromopyridin-3-amine (Chem 475)
Descriptor: 1,2-ETHANEDIOL, 6-bromopyridin-3-amine, DIMETHYL SULFOXIDE, ...
Authors:Koh, C.-Y, Hol, W.G.J.
Deposit date:2015-03-15
Release date:2015-08-12
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:A binding hotspot in Trypanosoma cruzi histidyl-tRNA synthetase revealed by fragment-based crystallographic cocktail screens.
Acta Crystallogr. D Biol. Crystallogr., 71, 2015
2GC1
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BU of 2gc1 by Molmil
The crystal structure of phosphoglucose isomerase from Pyrococcus furiosus in complex with sorbitol 6-phosphate and zinc
Descriptor: D-SORBITOL-6-PHOSPHATE, Glucose-6-phosphate isomerase, ZINC ION
Authors:Berrisford, J.M, Rice, D.W, Baker, P.J.
Deposit date:2006-03-13
Release date:2006-04-11
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Evidence Supporting a cis-enediol-based Mechanism for Pyrococcus furiosus Phosphoglucose Isomerase
J.Mol.Biol., 358, 2006
8ADT
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BU of 8adt by Molmil
Rational design of a calcium-independent trypsin variant
Descriptor: Serine protease 1
Authors:Simon, A.H, Liebscher, S, Kattner, A, Kattner, C, Bordusa, F.
Deposit date:2022-07-11
Release date:2022-09-14
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Rational Design of a Calcium-Independent Trypsin Variant
Catalysts, 12, 2022
4YIT
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BU of 4yit by Molmil
Crystal Structure of LAGLIDADG Meganuclease I-AabMI Bound to Uncleaved DNA
Descriptor: CALCIUM ION, DNA (25-MER), DNA (25MER), ...
Authors:Hallinan, J.P, Stoddard, B.L.
Deposit date:2015-03-02
Release date:2016-03-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.24 Å)
Cite:Indirect DNA Sequence Recognition and Its Impact on Nuclease Cleavage Activity.
Structure, 24, 2016
8AWG
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BU of 8awg by Molmil
small molecule stabilizer for ERalpha and 14-3-3 (1074202)
Descriptor: 14-3-3 protein sigma, 2-chloranyl-~{N}-[[1-[2-(4-chloranylphenoxy)-2-methyl-propanoyl]piperidin-4-yl]methyl]ethanamide, Estrogen receptor, ...
Authors:Konstantinidou, M, Visser, E.J, Vandenboorn, E.M.F, Sheng, C, Jaishankar, P, Overmans, M.J.A.M, Dutta, S, Neitz, J, Renslo, A, Ottmann, C, Brunsveld, L, Arkin, M.
Deposit date:2022-08-29
Release date:2023-09-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure-Based Optimization of Covalent, Small-Molecule Stabilizers of the 14-3-3 sigma /ER alpha Protein-Protein Interaction from Nonselective Fragments.
J.Am.Chem.Soc., 145, 2023
4LHI
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BU of 4lhi by Molmil
Crystal structure of human carbonic anhydrase isozyme II with 5-(phenylsulfonyl)thiophene-2-sulfonamide
Descriptor: 5-(phenylsulfonyl)thiophene-2-sulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
Authors:Smirnov, A, Manakova, E, Grazulis, S.
Deposit date:2013-07-01
Release date:2014-07-02
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structure of human carbonic anhydrase isozyme II with 5-(phenylsulfonyl)thiophene-2-sulfonamide
To be Published
7LBU
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BU of 7lbu by Molmil
Crystal structure of the Propionibacterium acnes surface sialidase
Descriptor: ACETATE ION, Exo-alpha-sialidase, PHOSPHATE ION
Authors:Yu, A.C.Y, Volkers, G, Strynadka, N.C.J.
Deposit date:2021-01-08
Release date:2021-12-08
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Crystal structure of the Propionibacterium acnes surface sialidase, a drug target for P. acnes-associated diseases.
Glycobiology, 32, 2022
7LBV
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BU of 7lbv by Molmil
Crystal structure of the Propionibacterium acnes surface sialidase in complex with Neu5Ac2en
Descriptor: 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID, Exo-alpha-sialidase, PHOSPHATE ION
Authors:Yu, A.C.Y, Volkers, G, Strynadka, N.C.J.
Deposit date:2021-01-09
Release date:2021-12-08
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of the Propionibacterium acnes surface sialidase, a drug target for P. acnes-associated diseases.
Glycobiology, 32, 2022
1VA4
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BU of 1va4 by Molmil
Pseudomonas fluorescens aryl esterase
Descriptor: Arylesterase, GLYCEROL
Authors:Cheeseman, J.D, Tocilj, A, Park, S, Schrag, J.D, Kazlauskas, R.J.
Deposit date:2004-02-11
Release date:2004-07-06
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.804 Å)
Cite:Structure of an aryl esterase from Pseudomonas fluorescens.
Acta Crystallogr.,Sect.D, 60, 2004
4YPF
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BU of 4ypf by Molmil
Crystal structure of T. cruzi Histidyl-tRNA synthetase in complex with quinolin-3-amine (Chem 84)
Descriptor: 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, HISTIDINE, ...
Authors:Koh, C.-Y, Hol, W.G.J.
Deposit date:2015-03-12
Release date:2015-08-12
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:A binding hotspot in Trypanosoma cruzi histidyl-tRNA synthetase revealed by fragment-based crystallographic cocktail screens.
Acta Crystallogr. D Biol. Crystallogr., 71, 2015
4YRT
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BU of 4yrt by Molmil
Crystal structure of T. cruzi Histidyl-tRNA synthetase in complex with N-(5-hydroxynaphthalen-2-yl)propanamide (Chem 1781)
Descriptor: 1,2-ETHANEDIOL, HISTIDINE, Histidyl-tRNA synthetase, ...
Authors:Koh, C.-Y, Hol, W.G.J.
Deposit date:2015-03-15
Release date:2015-08-12
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:A binding hotspot in Trypanosoma cruzi histidyl-tRNA synthetase revealed by fragment-based crystallographic cocktail screens.
Acta Crystallogr. D Biol. Crystallogr., 71, 2015
4YRG
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BU of 4yrg by Molmil
Crystal structure of T. cruzi Histidyl-tRNA synthetase in complex with (6-bromopyridin-2-yl)methanol (Chem 149)
Descriptor: (6-bromopyridin-2-yl)methanol, 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, ...
Authors:Koh, C.-Y, Hol, W.G.J.
Deposit date:2015-03-15
Release date:2015-08-12
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:A binding hotspot in Trypanosoma cruzi histidyl-tRNA synthetase revealed by fragment-based crystallographic cocktail screens.
Acta Crystallogr. D Biol. Crystallogr., 71, 2015
4YRQ
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BU of 4yrq by Molmil
Crystal structure of T. cruzi Histidyl-tRNA synthetase in complex with 6-amino-2H-chromen-2-one (Chem 744)
Descriptor: 1,2-ETHANEDIOL, 6-amino-2H-chromen-2-one, DIMETHYL SULFOXIDE, ...
Authors:Koh, C.-Y, Hol, W.G.J.
Deposit date:2015-03-15
Release date:2015-08-12
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:A binding hotspot in Trypanosoma cruzi histidyl-tRNA synthetase revealed by fragment-based crystallographic cocktail screens.
Acta Crystallogr. D Biol. Crystallogr., 71, 2015

223790

數據於2024-08-14公開中

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