5Q1W
 
 | | PanDDA analysis group deposition -- Crystal Structure of DCLRE1A in complex with FMOPL000546a | | Descriptor: | 1~{H}-benzimidazol-2-ylcyanamide, DNA cross-link repair 1A protein, MALONATE ION, ... | | Authors: | Newman, J.A, Aitkenhead, H, Lee, S.Y, Kupinska, K, Burgess-Brown, N, Tallon, R, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | | Deposit date: | 2017-05-15 | | Release date: | 2018-08-08 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
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3IBJ
 | | X-ray structure of PDE2A | | Descriptor: | MAGNESIUM ION, ZINC ION, cGMP-dependent 3',5'-cyclic phosphodiesterase | | Authors: | Pandit, J. | | Deposit date: | 2009-07-16 | | Release date: | 2009-10-27 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (3.02 Å) | | Cite: | Mechanism for the allosteric regulation of phosphodiesterase 2A deduced from the X-ray structure of a near full-length construct.
Proc.Natl.Acad.Sci.USA, 106, 2009
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8GCI
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8HFM
 | | Crystal Structure of Mycobacterium smegmatis MshC | | Descriptor: | CALCIUM ION, L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase, ZINC ION | | Authors: | Pang, L, Weeks, S.D, Strelkov, S.V. | | Deposit date: | 2022-11-11 | | Release date: | 2022-12-07 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.41 Å) | | Cite: | Structural Basis of Cysteine Ligase MshC Inhibition by Cysteinyl-Sulfonamides.
Int J Mol Sci, 23, 2022
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8HFO
 | | Crystal Structure of Mycobacterium smegmatis MshC in Complex with Compound 7d | | Descriptor: | CALCIUM ION, L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase, N-[(3M)-3-(thiophen-2-yl)benzene-1-sulfonyl]-L-cysteinamide, ... | | Authors: | Pang, L, Weeks, S.D, Strelkov, S.V. | | Deposit date: | 2022-11-11 | | Release date: | 2022-12-07 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.77 Å) | | Cite: | Structural Basis of Cysteine Ligase MshC Inhibition by Cysteinyl-Sulfonamides.
Int J Mol Sci, 23, 2022
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8HFN
 | | Crystal Structure of Mycobacterium smegmatis MshC in Complex with Compound 7b | | Descriptor: | CALCIUM ION, L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase, N-[(3M)-3-(6-methoxypyridin-3-yl)benzene-1-sulfonyl]-L-cysteinamide, ... | | Authors: | Pang, L, Weeks, S.D, Strelkov, S.V. | | Deposit date: | 2022-11-11 | | Release date: | 2022-12-07 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Structural Basis of Cysteine Ligase MshC Inhibition by Cysteinyl-Sulfonamides.
Int J Mol Sci, 23, 2022
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1YL1
 | | Effect of alcohols on protein hydration | | Descriptor: | Lysozyme C, SODIUM ION, TRIFLUOROETHANOL | | Authors: | Deshpande, A.A, Nimsadkar, S, Mande, S.C. | | Deposit date: | 2005-01-18 | | Release date: | 2005-07-05 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Effect of alcohols on protein hydration: crystallographic analysis of hen egg-white lysozyme in the presence of alcohols.
Acta Crystallogr.,Sect.D, 61, 2005
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3JTI
 | | Crystal structure of the complex formed between Phospholipase A2 with beta-amyloid fragment, Lys-Gly-Ala-Ile-Ile-Gly-Leu-Met at 1.8 A resolution | | Descriptor: | CALCIUM ION, Phospholipase A2 isoform 3, octapeptide from Amyloid beta A4 protein | | Authors: | Pandey, N, Mirza, Z, Vikram, G, Singh, N, Bhushan, A, Kaur, P, Srinivasan, A, Sharma, S, Singh, T.P. | | Deposit date: | 2009-09-12 | | Release date: | 2010-07-21 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of the complex formed between Phospholipase A2 with beta-amyloid fragment, Lys-Gly-Ala-Ile-Ile-Gly-Leu-Met at 1.8 A resolution
To be Published
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3J9K
 | | Structure of Dark apoptosome in complex with Dronc CARD domain | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Apaf-1 related killer DARK, Caspase Nc | | Authors: | Pang, Y, Bai, X, Yan, C, Hao, Q, Chen, Z, Wang, J, Scheres, S.H.W, Shi, Y. | | Deposit date: | 2015-02-04 | | Release date: | 2015-02-25 | | Last modified: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (4.1 Å) | | Cite: | Structure of the apoptosome: mechanistic insights into activation of an initiator caspase from Drosophila.
Genes Dev., 29, 2015
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4AFR
 | | THE STRUCTURE OF METACASPASE 2 (C213A MUTANT) FROM T. BRUCEI | | Descriptor: | METACASPASE | | Authors: | McLuskey, K, Rudolf, J, Isaacs, N.W, Coombs, G.H, Moss, C.X, Mottram, J.C. | | Deposit date: | 2012-01-23 | | Release date: | 2012-05-02 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal Structure of a Trypanosoma Brucei Metacaspase.
Proc.Natl.Acad.Sci.USA, 109, 2012
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7CCA
 | | Crystal structure of White Spot Syndrome Virus Thymidylate Synthase - ternary complex with Methotrexate and dUMP | | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, METHOTREXATE, Thymidylate Synthase | | Authors: | Panchal, N.V, Kumar, S, Shaikh, N, Vasudevan, D. | | Deposit date: | 2020-06-16 | | Release date: | 2020-11-25 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Structure analysis of thymidylate synthase from white spot syndrome virus reveals WSSV-specific structural elements.
Int.J.Biol.Macromol., 167, 2021
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4AF8
 | | The structural basis for metacaspase substrate specificity and activation | | Descriptor: | CHLORIDE ION, METACASPASE MCA2, SODIUM ION | | Authors: | McLuskey, K, Rudolf, J, Isaacs, N.W, Coombs, G.H, Moss, C.X, Mottram, J.C. | | Deposit date: | 2012-01-18 | | Release date: | 2012-05-02 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Crystal Structure of a Trypanosoma Brucei Metacaspase.
Proc.Natl.Acad.Sci.USA, 109, 2012
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4AFV
 | | THE STRUCTURE OF METACASPASE 2 FROM T. BRUCEI DETERMINED IN THE PRESENCE OF CALCIUM CHLORIDE | | Descriptor: | METACASPASE MCA2 | | Authors: | McLuskey, K, Rudolf, J, Isaacs, N.W, Coombs, G.H, Moss, C.X, Mottram, J.C. | | Deposit date: | 2012-01-23 | | Release date: | 2012-05-02 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Crystal Structure of a Trypanosoma Brucei Metacaspase.
Proc.Natl.Acad.Sci.USA, 109, 2012
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1PUE
 | | PU.1 ETS DOMAIN-DNA COMPLEX | | Descriptor: | DNA (5'-D(*AP*AP*AP*AP*AP*GP*GP*GP*GP*AP*AP*GP*TP*GP*GP*G)-3'), DNA (5'-D(*TP*CP*CP*CP*AP*CP*TP*TP*CP*CP*CP*CP*TP*TP*TP*T)-3'), PROTEIN (TRANSCRIPTION FACTOR PU.1 (TF PU.1)) | | Authors: | Kodandapani, R, Pio, F, Ni, C.Z, Piccialli, G, Klemsz, M, McKercher, S, Maki, R.A, Ely, K.R. | | Deposit date: | 1996-07-08 | | Release date: | 1997-02-12 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | A new pattern for helix-turn-helix recognition revealed by the PU.1 ETS-domain-DNA complex.
Nature, 380, 1996
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5NNO
 | | Structure of TbALDH3 complexed with NAD and AN3057 aldehyde | | Descriptor: | 4-[(1-oxidanyl-3~{H}-2,1-benzoxaborol-5-yl)oxy]benzaldehyde, Aldehyde dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | Zoltner, M, Zhang, N, Horn, D, Field, M.C. | | Deposit date: | 2017-04-10 | | Release date: | 2017-04-19 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Host-parasite co-metabolic activation of antitrypanosomal aminomethyl-benzoxaboroles.
PLoS Pathog., 14, 2018
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5ZDO
 | | Crystal Structure Analysis of TtQRS in co-crystallised with ATP | | Descriptor: | CHLORIDE ION, Glutamine-tRNA ligase | | Authors: | Mutharasappan, N, Jain, V, Sharma, A, Manickam, Y, Jeyaraman, J. | | Deposit date: | 2018-02-23 | | Release date: | 2018-12-05 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural and functional analysis of Glutaminyl-tRNA synthetase (TtGlnRS) from Thermus thermophilus HB8 and its complexes
Int. J. Biol. Macromol., 120, 2018
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3GHY
 | | Crystal structure of a putative ketopantoate reductase from Ralstonia solanacearum MolK2 | | Descriptor: | Ketopantoate reductase protein | | Authors: | Patskovsky, Y, Ramagopal, U.A, Toro, R, Morano, C, Freeman, J, Chang, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2009-03-04 | | Release date: | 2009-03-17 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of a putative ketopantoate reductase from Ralstonia solanacearum MolK2
To be Published
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5ZDK
 | | Crystal Structure Analysis of TtQRS in complex with ATP | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CESIUM ION, CHLORIDE ION, ... | | Authors: | Mutharasappan, N, Jain, V, Sharma, A, Manickam, Y, Jeyaraman, J. | | Deposit date: | 2018-02-23 | | Release date: | 2018-12-05 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Structural and functional analysis of Glutaminyl-tRNA synthetase (TtGlnRS) from Thermus thermophilus HB8 and its complexes
Int. J. Biol. Macromol., 120, 2018
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5ZDL
 | | Crystal Structure Analysis of TtQRS in co-crystallised with ATP | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, Glutamine--tRNA ligase | | Authors: | Mutharasappan, N, Jain, V, Sharma, A, Manickam, Y, Jeyaraman, J. | | Deposit date: | 2018-02-23 | | Release date: | 2018-12-05 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural and functional analysis of Glutaminyl-tRNA synthetase (TtGlnRS) from Thermus thermophilus HB8 and its complexes
Int. J. Biol. Macromol., 120, 2018
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4AFP
 | | The structure of metacaspase 2 from T. brucei determined in the presence of Samarium | | Descriptor: | METACASPASE MCA2, SAMARIUM (III) ION | | Authors: | McLuskey, K, Rudolf, J, Isaacs, N.W, Coombs, G.H, Moss, C.X, Mottram, J.C. | | Deposit date: | 2012-01-23 | | Release date: | 2012-05-02 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal Structure of a Trypanosoma Brucei Metacaspase.
Proc.Natl.Acad.Sci.USA, 109, 2012
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1QEZ
 | | SULFOLOBUS ACIDOCALDARIUS INORGANIC PYROPHOSPHATASE: AN ARCHAEL PYROPHOSPHATASE. | | Descriptor: | MAGNESIUM ION, PROTEIN (INORGANIC PYROPHOSPHATASE) | | Authors: | Leppanen, V.-M, Nummelin, H, Hansen, T, Lahti, R, Schafer, G, Goldman, A. | | Deposit date: | 1999-04-06 | | Release date: | 1999-04-14 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Sulfolobus acidocaldarius inorganic pyrophosphatase: structure, thermostability, and effect of metal ion in an archael pyrophosphatase.
Protein Sci., 8, 1999
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8I3Y
 | | Crystal structure of ASCT from Trypanosoma brucei in complex with Succinyl-CoA. | | Descriptor: | CALCIUM ION, SUCCINIC ACID, SUCCINYL-COENZYME A, ... | | Authors: | Mochizuki, K, Inaoka, D.K, Fukuda, K, Kurasawa, H, Iyoda, K, Nakai, U, Harada, S, Balogun, E.O, Mazet, M, Millerioux, Y, Bringaud, F, Boshart, M, Hirayama, K, Kita, K, Shiba, T. | | Deposit date: | 2023-01-18 | | Release date: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structure of ASCT from Trypanosoma brucei in complex with Succinyl-CoA.
To Be Published
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1N8U
 | | Chemosensory Protein in Complex with bromo-dodecanol | | Descriptor: | BROMO-DODECANOL, chemosensory protein | | Authors: | Campanacci, V, Lartigue, A, Hallberg, B.M, Jones, T.A, Giudici-Orticoni, M.T, Tegoni, M, Cambillau, C. | | Deposit date: | 2002-11-21 | | Release date: | 2003-04-01 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Moth chemosensory protein exhibits drastic conformational changes and cooperativity on ligand binding.
Proc.Natl.Acad.Sci.USA, 100, 2003
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1AK9
 | | SUBTILISIN MUTANT 8321 | | Descriptor: | CALCIUM ION, ISOPROPYL ALCOHOL, SODIUM ION, ... | | Authors: | Whitlow, M, Howard, A.J, Wood, J.F. | | Deposit date: | 1997-05-30 | | Release date: | 1997-11-12 | | Last modified: | 2021-11-03 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Large increases in general stability for subtilisin BPN' through incremental changes in the free energy of unfolding.
Biochemistry, 28, 1989
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8I40
 | | Crystal structure of ASCT from Trypanosoma brucei in complex with CoA. | | Descriptor: | ACETATE ION, CALCIUM ION, COENZYME A, ... | | Authors: | Mochizuki, K, Inaoka, D.K, Fukuda, K, Kurasawa, H, Iyoda, K, Nakai, U, Harada, S, Balogun, E.O, Mazet, M, Millerioux, Y, Bringaud, F, Boshart, M, Hirayama, K, Kita, K, Shiba, T. | | Deposit date: | 2023-01-18 | | Release date: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.79 Å) | | Cite: | Crystal structure of ligand complexes of ASCT from Trypanosoma brucei and molecular mechanism in comparison with mammalian SCOT.
To Be Published
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