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6CHP
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BU of 6chp by Molmil
Phosphopantetheine adenylyltransferase (CoaD) in complex with methyl (R)-4-(3-(2-cyano-1-((5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)amino)ethyl)benzyl)piperidine-1-carboxylate
Descriptor: Phosphopantetheine adenylyltransferase, SULFATE ION, TETRAETHYLENE GLYCOL, ...
Authors:Mamo, M, Appleton, B.A.
Deposit date:2018-02-22
Release date:2018-04-04
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Discovery and Optimization of Phosphopantetheine Adenylyltransferase Inhibitors with Gram-Negative Antibacterial Activity.
J. Med. Chem., 61, 2018
1J0B
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Crystal Structure Analysis of the ACC deaminase homologue complexed with inhibitor
Descriptor: 1-aminocyclopropane-1-carboxylate deaminase, N-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-Y-LMETHYL]-1-AMINO-CYCLOPROPANECARBOXYLIC ACID
Authors:Fujino, A, Ose, T, Honma, M, Yao, M, Tanaka, I.
Deposit date:2002-11-12
Release date:2003-05-12
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural and enzymatic properties of 1-aminocyclopropane-1-carboxylate deaminase homologue from Pyrococcus horikoshii
J.Mol.Biol., 341, 2004
6APV
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Trypanosoma brucei hypoxanthine guanine phosphoribosyltransferase in complex with [(2-{[2-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)ethyl][(E)-2-phosphonoethenyl]amino}ethoxy)methyl]phosphonic acid
Descriptor: DI(HYDROXYETHYL)ETHER, Hypoxanthine-guanine phosphoribosyltransferase, MAGNESIUM ION, ...
Authors:Teran, D, Guddat, L.W.
Deposit date:2017-08-18
Release date:2018-03-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.993 Å)
Cite:Evaluation of the Trypanosoma brucei 6-oxopurine salvage pathway as a potential target for drug discovery.
PLoS Negl Trop Dis, 12, 2018
4MUK
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BU of 4muk by Molmil
Crystal structure of pantothenate synthetase in complex with 2-(5-methoxy-2-(4-(trifluoromethyl)benzylsulfonylcarbamoyl)-1H-indol-1-yl)acetic acid
Descriptor: 1,2-ETHANEDIOL, ETHANOL, Pantothenate synthetase, ...
Authors:Silvestre, H.L, Blundell, T.L.
Deposit date:2013-09-22
Release date:2014-08-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Optimization of Inhibitors of Mycobacterium tuberculosis Pantothenate Synthetase Based on Group Efficiency Analysis.
Chemmedchem, 11, 2016
4MUL
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BU of 4mul by Molmil
Crystal structure of pantothenate synthetase in complex with 2-(5-methoxy-2-(naphthalen-2-ylsulfonylcarbamoyl)-1H-indol-1-yl)acetic acid
Descriptor: 1,2-ETHANEDIOL, ETHANOL, Pantothenate synthetase, ...
Authors:Silvestre, H.L, Blundell, T.L.
Deposit date:2013-09-22
Release date:2014-08-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Optimization of Inhibitors of Mycobacterium tuberculosis Pantothenate Synthetase Based on Group Efficiency Analysis.
Chemmedchem, 11, 2016
4MUI
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BU of 4mui by Molmil
Crystal structure of pantothenate synthetase in complex with 2-(5-methoxy-2-(4-methoxyphenylsulfonylcarbamoyl)-1H-indol-1-yl)acetic acid
Descriptor: (5-methoxy-2-{[(4-methoxyphenyl)sulfonyl]carbamoyl}-1H-indol-1-yl)acetic acid, 1,2-ETHANEDIOL, ETHANOL, ...
Authors:Silvestre, H.L, Blundell, T.L.
Deposit date:2013-09-22
Release date:2014-08-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Optimization of Inhibitors of Mycobacterium tuberculosis Pantothenate Synthetase Based on Group Efficiency Analysis.
Chemmedchem, 11, 2016
4MUF
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Crystal structure of pantothenate synthetase in complex with 2-(2-(4-tert-butylphenylsulfonylcarbamoyl)-5-methoxy-1H-indol-1-yl)acetic acid
Descriptor: (2-{[(4-tert-butylphenyl)sulfonyl]carbamoyl}-5-methoxy-1H-indol-1-yl)acetic acid, ETHANOL, Pantothenate synthetase
Authors:Silvestre, H.L, Blundell, T.L.
Deposit date:2013-09-21
Release date:2014-08-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Optimization of Inhibitors of Mycobacterium tuberculosis Pantothenate Synthetase Based on Group Efficiency Analysis.
Chemmedchem, 11, 2016
6NBP
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Crystal Structure of a Sugar N-Formyltransferase from the Plant Pathogen Pantoea ananatis
Descriptor: N-formyltransferase, N-{[4-({[(6R)-2-amino-5-formyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)phenyl]carbonyl}-L-glutamic acid, PHOSPHATE ION, ...
Authors:Hofmeister, D.L, Thoden, J.B, Holden, H.M.
Deposit date:2018-12-09
Release date:2018-12-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Investigation of a sugar N-formyltransferase from the plant pathogen Pantoea ananatis.
Protein Sci., 28, 2019
6N48
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Structure of beta2 adrenergic receptor bound to BI167107, Nanobody 6B9, and a positive allosteric modulator
Descriptor: (2S)-2,3-dihydroxypropyl (7Z)-tetradec-7-enoate, 8-[(1R)-2-{[1,1-dimethyl-2-(2-methylphenyl)ethyl]amino}-1-hydroxyethyl]-5-hydroxy-2H-1,4-benzoxazin-3(4H)-one, Camelid Antibody Fragment, ...
Authors:Liu, X, Masoudi, A, Kahsai, A.W, Huang, L.Y, Pani, B, Hirata, K, Ahn, S, Lefkowitz, R.J, Kobilka, B.K.
Deposit date:2018-11-17
Release date:2019-06-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Mechanism of beta2AR regulation by an intracellular positive allosteric modulator.
Science, 364, 2019
4MUH
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BU of 4muh by Molmil
Crystal structure of pantothenate synthetase in complex with 2-(2-(5-acetamido-1,3,4-thiadiazol-2-ylsulfonylcarbamoyl)-5-methoxy-1H-indol-1-yl)acetic acid
Descriptor: 1,2-ETHANEDIOL, ETHANOL, Pantothenate synthetase, ...
Authors:Silvestre, H.L, Blundell, T.L.
Deposit date:2013-09-21
Release date:2014-08-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Optimization of Inhibitors of Mycobacterium tuberculosis Pantothenate Synthetase Based on Group Efficiency Analysis.
Chemmedchem, 11, 2016
4MUE
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BU of 4mue by Molmil
Crystal strcture of pantothenate synthetase in complex with 2-(5-methoxy-2-(4-(trifluoromethyl)phenylsulfonylcarbamoyl)-1H-indol-1-yl)acetic acid
Descriptor: 1,2-ETHANEDIOL, ETHANOL, Pantothenate synthetase, ...
Authors:Silvestre, H.L, Blundell, T.L.
Deposit date:2013-09-21
Release date:2014-08-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Optimization of Inhibitors of Mycobacterium tuberculosis Pantothenate Synthetase Based on Group Efficiency Analysis.
Chemmedchem, 11, 2016
6HOW
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BU of 6how by Molmil
Trypanosoma brucei PTR1 in complex with the triazine inhibitor 2a (F219).
Descriptor: (2~{R})-1-(3,4-dichlorophenyl)-2-(4-nitrophenyl)-2~{H}-1,3,5-triazine-4,6-diamine, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Pteridine reductase
Authors:Landi, G, Pozzi, C, Mangani, S.
Deposit date:2018-09-18
Release date:2019-05-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Structural Insights into the Development of Cycloguanil Derivatives asTrypanosoma bruceiPteridine-Reductase-1 Inhibitors.
Acs Infect Dis., 5, 2019
5HVV
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BU of 5hvv by Molmil
Crystal structure of Pro1 deletion and M2A double mutant of Macrophage Migration Inhibitory Factor
Descriptor: ISOPROPYL ALCOHOL, Macrophage migration inhibitory factor, SULFATE ION
Authors:Pantouris, G, Lolis, E.
Deposit date:2016-01-28
Release date:2016-02-10
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of P1 deletion and M2A double mutant of Macrophage Migration Inhibitory Factor
To Be Published
5J5A
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BU of 5j5a by Molmil
Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor (Chem 70786556)
Descriptor: METHIONINE, Methionyl-tRNA synthetase, putative, ...
Authors:Barros-Alvarez, X, Koh, C.Y, Hol, W.G.J.
Deposit date:2016-04-01
Release date:2017-01-25
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structure-guided design of novel Trypanosoma brucei Methionyl-tRNA synthetase inhibitors.
Eur J Med Chem, 124, 2016
1XDN
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BU of 1xdn by Molmil
High resolution crystal structure of an editosome enzyme from trypanosoma brucei: RNA editing ligase 1
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, RNA editing ligase MP52
Authors:Deng, J, Schnaufer, A, Salavati, R, Stuart, K.D, Hol, W.G.
Deposit date:2004-09-07
Release date:2004-12-07
Last modified:2014-09-10
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:High resolution crystal structure of a key editosome enzyme from Trypanosoma brucei: RNA editing ligase 1.
J.Mol.Biol., 343, 2004
5KAP
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BU of 5kap by Molmil
Trypanosome brucei Hypoxanthine-guanine phosphoribosyltranferase in complex with a 9-(4-(phosphonobutil)hypoxanthine
Descriptor: 4-(6-oxidanylidene-1~{H}-purin-9-yl)butylphosphonic acid, Hypoxanthine-guanine phosphoribosyltransferase, MAGNESIUM ION, ...
Authors:Teran, D, Guddat, L.
Deposit date:2016-06-01
Release date:2016-11-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Crystal structures and inhibition of Trypanosoma brucei hypoxanthine-guanine phosphoribosyltransferase.
Sci Rep, 6, 2016
5KAM
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BU of 5kam by Molmil
Trypanosome brucei Hypoxanthine-guanine phosphoribosyltranferase in complex with Inosine 5' monophosphate
Descriptor: Hypoxanthine-guanine phosphoribosyltransferase, INOSINIC ACID, MAGNESIUM ION, ...
Authors:Teran, D, Guddat, L.
Deposit date:2016-06-01
Release date:2016-11-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.481 Å)
Cite:Crystal structures and inhibition of Trypanosoma brucei hypoxanthine-guanine phosphoribosyltransferase.
Sci Rep, 6, 2016
5JCJ
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Trypanosoma brucei PTR1 in complex with inhibitor NMT-H037 (compound 7)
Descriptor: 2-(3,4-dihydroxyphenyl)-3,6-dihydroxy-4H-1-benzopyran-4-one, ACETATE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Landi, G, Pozzi, C, Di Pisa, F, Dello Iacono, L, Mangani, S.
Deposit date:2016-04-15
Release date:2016-08-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Profiling of Flavonol Derivatives for the Development of Antitrypanosomatidic Drugs.
J.Med.Chem., 59, 2016
1YHM
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BU of 1yhm by Molmil
Structure of the complex of Trypanosoma cruzi farnesyl disphosphate synthase with alendronate, Isopentenyl diphosphate and mg+2
Descriptor: 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, 4-AMINO-1-HYDROXYBUTANE-1,1-DIYLDIPHOSPHONATE, MAGNESIUM ION, ...
Authors:Gabelli, S.B, McLellan, J.S, Montalvetti, A, Oldfield, E, Docampo, R, Amzel, L.M.
Deposit date:2005-01-09
Release date:2005-12-20
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure and mechanism of the farnesyl diphosphate synthase from Trypanosoma cruzi: Implications for drug design.
Proteins, 62, 2005
6HJE
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BU of 6hje by Molmil
Trypanosoma cruzi proline racemase in complex with inhibitor NG-P27
Descriptor: 2-[(1~{S})-2-oxidanylidenecyclopentyl]ethanoic acid, PHOSPHATE ION, Proline racemase A
Authors:Saul, F, Haouz, A, Uriac, P, Blondel, A, Minoprio, P.
Deposit date:2018-09-03
Release date:2018-11-07
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:Designed mono- and di-covalent inhibitors trap modeled functional motions for Trypanosoma cruzi proline racemase in crystallography.
PLoS Negl Trop Dis, 12, 2018
6H2G
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Structure of BlaC from Mycobacterium tuberculosis bound to the propionaldehyde ester adduct of clavulanic acid.
Descriptor: 3-oxidanylidenepropanoic acid, ACETATE ION, Beta-lactamase
Authors:Tassoni, R, Pannu, N.S, Ubbink, M.
Deposit date:2018-07-13
Release date:2019-01-23
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:New Conformations of Acylation Adducts of Inhibitors of beta-Lactamase from Mycobacterium tuberculosis.
Biochemistry, 58, 2019
4X0J
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BU of 4x0j by Molmil
Trypanosoma brucei haptoglobin-haemoglobin receptor
Descriptor: Haptoglobin-hemoglobin receptor
Authors:Lane-Serff, H, MacGregor, P, Lowe, E.D, Carrington, M, Higgins, M.K.
Deposit date:2014-11-21
Release date:2014-12-24
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural basis for ligand and innate immunity factor uptake by the trypanosome haptoglobin-haemoglobin receptor.
Elife, 3, 2014
6HJG
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Trypanosoma cruzi proline racemase in complex with inhibitor OxoPA
Descriptor: LAEVULINIC ACID, PHOSPHATE ION, Proline racemase A
Authors:Saul, F, Haouz, A, Uriac, P, Blondel, A, Minoprio, P.
Deposit date:2018-09-03
Release date:2018-11-07
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Designed mono- and di-covalent inhibitors trap modeled functional motions for Trypanosoma cruzi proline racemase in crystallography.
PLoS Negl Trop Dis, 12, 2018
1YHL
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BU of 1yhl by Molmil
Structure of the complex of Trypanosoma cruzi farnesyl diphosphate synthase with risedronate, dmapp and mg+2
Descriptor: 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID, DIMETHYLALLYL DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Gabelli, S.B, McLellan, J.S, Montalvetti, A, Oldfield, E, Docampo, R, Amzel, L.M.
Deposit date:2005-01-09
Release date:2005-12-20
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure and mechanism of the farnesyl diphosphate synthase from Trypanosoma cruzi: Implications for drug design.
Proteins, 62, 2005
5JDI
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Trypanosoma brucei PTR1 in complex with cofactor and inhibitor NMT-H024 (compound 2)
Descriptor: 3,6-dihydroxy-2-(3-hydroxyphenyl)-4H-1-benzopyran-4-one, ACETATE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Landi, G, Pozzi, C, Di Pisa, F, Dello lacono, L, Mangani, S.
Deposit date:2016-04-16
Release date:2016-08-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Profiling of Flavonol Derivatives for the Development of Antitrypanosomatidic Drugs.
J.Med.Chem., 59, 2016

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数据于2024-08-14公开中

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