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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
分子名称: (5-methoxy-2-{[(4-methoxyphenyl)sulfonyl]carbamoyl}-1H-indol-1-yl)acetic acid, 1,2-ETHANEDIOL, ETHANOL, ...
著者Silvestre, H.L, Blundell, T.L.
登録日2013-09-22
公開日2014-08-27
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Optimization of Inhibitors of Mycobacterium tuberculosis Pantothenate Synthetase Based on Group Efficiency Analysis.
Chemmedchem, 11, 2016
1S0J
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BU of 1s0j by Molmil
Trypanosoma cruzi trans-sialidase in complex with MuNANA (Michaelis complex)
分子名称: 4-METHYL-2-OXO-2H-CHROMEN-7-YL 5-(ACETYLAMINO)-3,5-DIDEOXY-L-ERYTHRO-NON-2-ULOPYRANOSIDONIC ACID, trans-sialidase
著者Amaya, M.F, Watts, A.G, Damager, I, Wehenkel, A, Nguyen, T, Buschiazzo, A, Paris, G, Frasch, A.C, Withers, S.G, Alzari, P.M.
登録日2003-12-31
公開日2004-05-18
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structural Insights into the Catalytic Mechanism of Trypanosoma cruzi trans-Sialidase.
Structure, 12, 2004
3ANY
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BU of 3any by Molmil
Crystal structure of ethanolamine ammonia-lyase from escherichia coli complexed with CN-CBL and (R)-2-amino-1-propanol
分子名称: (2R)-2-aminopropan-1-ol, COBALAMIN, Ethanolamine ammonia-lyase heavy chain, ...
著者Shibata, N.
登録日2010-09-16
公開日2011-08-03
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献How coenzyme B12-dependent ethanolamine ammonia-lyase deals with both enantiomers of 2-amino-1-propanol as substrates: structure-based rationalization.
Biochemistry, 50, 2011
5BSC
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BU of 5bsc by Molmil
Crystal structure of K66A mutant of human macrophage migration inhibitory factor
分子名称: ISOPROPYL ALCOHOL, Macrophage migration inhibitory factor
著者Pantouris, G, Lolis, E.
登録日2015-06-01
公開日2015-09-30
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献An Analysis of MIF Structural Features that Control Functional Activation of CD74.
Chem.Biol., 22, 2015
5AQ1
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BU of 5aq1 by Molmil
Trypanosoma cruzi Glucose-6-phosphate Dehydrogenase in complex with G6P and NADPH
分子名称: 6-O-phosphono-beta-D-glucopyranose, GLUCOSE-6-PHOSPHATE DEHYDROGENASE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Mercaldi, G.F, Dawson, A, Hunter, W.N, Cordeiro, A.T.
登録日2015-09-18
公開日2016-07-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献The Structure of a Trypanosoma Cruzi Glucose-6-Phosphate Dehydrogenase Reveals Differences from the Mammalian Enzyme.
FEBS Lett., 590, 2016
4QIG
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BU of 4qig by Molmil
Crystal Structure of PduA with edge mutation K26A and pore mutation S40C
分子名称: Propanediol utilization protein PduA, SULFATE ION
著者Pang, A.H, Sawaya, M.R, Yeates, T.O.
登録日2014-05-30
公開日2015-02-18
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.297 Å)
主引用文献Selective molecular transport through the protein shell of a bacterial microcompartment organelle.
Proc.Natl.Acad.Sci.USA, 112, 2015
7UEP
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BU of 7uep by Molmil
PANK3 complex structure with compound PZ-3860
分子名称: 1,2-ETHANEDIOL, 1-[(2R)-4-(6-chloropyridazin-3-yl)-2-methylpiperazin-1-yl]-2-(4-cyclopropylphenyl)ethan-1-one, MAGNESIUM ION, ...
著者White, S.W, Yun, M, Lee, R.E.
登録日2022-03-22
公開日2023-03-29
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery of hPANK Activators with Improved Pharmacological Properties
To Be Published
7UEO
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BU of 7ueo by Molmil
PANK3 complex structure with compound PZ-3977
分子名称: 1,2-ETHANEDIOL, 6-{4-[(4-cyclopropyl-2-fluorophenyl)acetyl]piperazin-1-yl}pyridazine-3-carbonitrile, MAGNESIUM ION, ...
著者White, S.W, Yun, M, Lee, R.E.
登録日2022-03-22
公開日2023-03-29
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Discovery of hPANK Activators with Improved Pharmacological Properties
To Be Published
7UES
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BU of 7ues by Molmil
PANK3 complex structure with compound PZ-4202
分子名称: MAGNESIUM ION, N-(4-{2-[4-(6-cyanopyridazin-3-yl)piperazin-1-yl]-2-oxoethyl}phenyl)methanesulfonamide, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
著者White, S.W, Yun, M, Lee, R.E.
登録日2022-03-22
公開日2023-03-29
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Discovery of hPANK Activators with Improved Pharmacological Properties
To Be Published
7UER
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BU of 7uer by Molmil
PANK3 complex structure with compound PZ-4071
分子名称: 1,2-ETHANEDIOL, ACETATE ION, MAGNESIUM ION, ...
著者White, S.W, Yun, M, Lee, R.E.
登録日2022-03-22
公開日2023-03-29
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Discovery of hPANK Activators with Improved Pharmacological Properties
To Be Published
7UEV
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BU of 7uev by Molmil
PANK3 complex structure with compound PZ-4200
分子名称: 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ...
著者White, S.W, Yun, M, Lee, R.E.
登録日2022-03-22
公開日2023-03-29
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Discovery of hPANK Activators with Improved Pharmacological Properties
To Be Published
7UE4
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BU of 7ue4 by Molmil
PANK3 complex structure with compound PZ-3855
分子名称: 1,2-ETHANEDIOL, 1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-(4-cyclopropylphenyl)ethan-1-one, ACETATE ION, ...
著者White, S.W, Yun, M, Lee, R.E.
登録日2022-03-21
公開日2023-03-29
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Discovery of hPANK Activators with Improved Pharmacological Properties
To Be Published
7UEQ
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BU of 7ueq by Molmil
PANK3 complex structure with compound PZ-4061
分子名称: 1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-[4-(dimethylamino)phenyl]ethan-1-one, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
著者White, S.W, Yun, M, Lee, R.E.
登録日2022-03-22
公開日2023-03-29
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Discovery of hPANK Activators with Improved Pharmacological Properties
To Be Published
7UET
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BU of 7uet by Molmil
PANK3 complex structure with compound PZ-4140
分子名称: 1,2-ETHANEDIOL, MAGNESIUM ION, N-(4-{2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-oxoethyl}phenyl)methanesulfonamide, ...
著者White, S.W, Yun, M, Lee, R.E.
登録日2022-03-22
公開日2023-03-29
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery of hPANK Activators with Improved Pharmacological Properties
To Be Published
7UEY
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BU of 7uey by Molmil
PANK3 complex structure with compound PZ-4128
分子名称: 1,2-ETHANEDIOL, MAGNESIUM ION, N-(4-{2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-oxoethyl}phenyl)-2-hydroxyacetamide, ...
著者White, S.W, Yun, M, Lee, R.E.
登録日2022-03-22
公開日2023-03-29
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Discovery of hPANK Activators with Improved Pharmacological Properties
To Be Published
7UE7
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BU of 7ue7 by Molmil
PANK3 complex structure with compound PZ-3883
分子名称: 1,2-ETHANEDIOL, 6-{4-[(4-cyclopropyl-3-fluorophenyl)acetyl]piperazin-1-yl}pyridazine-3-carbonitrile, ACETATE ION, ...
著者White, S.W, Yun, M, Lee, R.E.
登録日2022-03-21
公開日2023-03-29
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Discovery of hPANK Activators with Improved Pharmacological Properties
To Be Published
7UEU
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BU of 7ueu by Molmil
PANK3 complex structure with compound PZ-4215
分子名称: 1,2-ETHANEDIOL, AMP PHOSPHORAMIDATE, MAGNESIUM ION, ...
著者White, S.W, Yun, M, Lee, R.E.
登録日2022-03-22
公開日2023-03-29
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery of hPANK Activators with Improved Pharmacological Properties
To Be Published
7UEX
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BU of 7uex by Molmil
PANK3 complex structure with compound PZ-4127
分子名称: 1,2-ETHANEDIOL, 2-(4-{2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-oxoethyl}anilino)-2-oxoethyl acetate, ACETATE ION, ...
著者White, S.W, Yun, M, Lee, R.E.
登録日2022-03-22
公開日2023-03-29
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery of hPANK Activators with Improved Pharmacological Properties
To Be Published
4PLU
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BU of 4plu by Molmil
Crystal structure of Macrophage Migration Inhibitory Factor in complex with benzaldehyde
分子名称: ISOPROPYL ALCOHOL, Macrophage migration inhibitory factor, SULFATE ION, ...
著者Pantouris, G, Lolis, E.
登録日2014-05-19
公開日2015-09-30
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献An Analysis of MIF Structural Features that Control Functional Activation of CD74.
Chem.Biol., 22, 2015
4PKZ
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BU of 4pkz by Molmil
Crystal structure of P1M mutant of Macrophage Migration Inhibitory Factor
分子名称: ISOPROPYL ALCOHOL, Macrophage migration inhibitory factor, SULFATE ION
著者Pantouris, G, Lolis, E.
登録日2014-05-15
公開日2015-09-30
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献An Analysis of MIF Structural Features that Control Functional Activation of CD74.
Chem.Biol., 22, 2015
4ADW
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BU of 4adw by Molmil
CRYSTAL STRUCTURE OF LEISHMANIA INFANTUM TRYPANOTHIONE REDUCTASE IN COMPLEX WITH NADPH AND TRYPANOTHIONE
分子名称: BIS(GAMMA-GLUTAMYL-CYSTEINYL-GLYCINYL)SPERMIDINE, FLAVIN-ADENINE DINUCLEOTIDE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Baiocco, P, Ilari, A, Colotti, G, Malatesta, F, Fiorillo, A.
登録日2012-01-04
公開日2013-01-16
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.61 Å)
主引用文献Inhibition of Leishmania Infantum Trypanothione Reductase by Azole-Based Compounds: A Comparative Analysis with its Physiological Substrate by X-Ray Crystallography.
Chemmedchem, 8, 2013
7W3D
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BU of 7w3d by Molmil
Crystal structure of BRD4 bromodomain 1 (BD1) in complex with N2-(1,2,3-benzotriazol-5-yl)-N3-(dimethylsulfamoyl)-N6-[(2S)-1-methoxypropan-2-yl]pyridine-2,3,6-triamine
分子名称: Bromodomain-containing protein 4, N2-(1,2,3-benzotriazol-5-yl)-N3-(dimethylsulfamoyl)-N6-[(2S)-1-methoxypropan-2-yl]pyridine-2,3,6-triamine
著者Park, T.H, Lee, B.I.
登録日2021-11-25
公開日2022-09-07
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Discovery of BET specific bromodomain inhibitors with a novel scaffold.
Bioorg.Med.Chem., 72, 2022
4CYK
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BU of 4cyk by Molmil
Structural basis for binding of Pan3 to Pan2 and its function in mRNA recruitment and deadenylation
分子名称: PAB-DEPENDENT POLY(A)-SPECIFIC RIBONUCLEASE SUBUNIT PAN3, ZINC ION
著者Wolf, J, Valkov, E, Allen, M.D, Meineke, B, Gordiyenko, Y, McLaughlin, S.H, Olsen, T.M, Robinson, C.V, Bycroft, M, Stewart, M, Passmore, L.A.
登録日2014-04-11
公開日2014-05-21
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural Basis for Pan3 Binding to Pan2 and its Function in Mrna Recruitment and Deadenylation.
Embo J., 33, 2014
6H2G
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BU of 6h2g by Molmil
Structure of BlaC from Mycobacterium tuberculosis bound to the propionaldehyde ester adduct of clavulanic acid.
分子名称: 3-oxidanylidenepropanoic acid, ACETATE ION, Beta-lactamase
著者Tassoni, R, Pannu, N.S, Ubbink, M.
登録日2018-07-13
公開日2019-01-23
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献New Conformations of Acylation Adducts of Inhibitors of beta-Lactamase from Mycobacterium tuberculosis.
Biochemistry, 58, 2019
5AYV
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BU of 5ayv by Molmil
Crystal structure of archaeal ketopantoate reductase complexed with coenzyme A and 2-oxopantoate
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-dehydropantoate 2-reductase, ACETATE ION, ...
著者Aikawa, Y, Nishitani, Y, Miki, K.
登録日2015-09-08
公開日2016-01-27
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.647 Å)
主引用文献Crystal structure of archaeal ketopantoate reductase complexed with coenzyme a and 2-oxopantoate provides structural insights into feedback regulation
Proteins, 84, 2016

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