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3MWL
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BU of 3mwl by Molmil
Q28E mutant of HERA N-terminal RecA-like domain in complex with 8-OXOADENOSINE
Descriptor: 6-azanyl-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7H-purin-8-one, Heat resistant RNA dependent ATPase, SULFATE ION
Authors:Rudolph, M.G, Klostermeier, D.
Deposit date:2010-05-06
Release date:2011-03-23
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Changing nucleotide specificity of the DEAD-box helicase Hera abrogates communication between the Q-motif and the P-loop.
Biol.Chem., 392, 2011
4JFA
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BU of 4jfa by Molmil
Crystal Structure of Plasmodium falciparum Tryptophanyl-tRNA synthetase
Descriptor: BETA-MERCAPTOETHANOL, POTASSIUM ION, TRYPTOPHAN, ...
Authors:Khan, S, Garg, A, Manickam, Y, Sharma, A.
Deposit date:2013-02-28
Release date:2014-01-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:An appended domain results in an unusual architecture for malaria parasite tryptophanyl-tRNA synthetase
Plos One, 8, 2013
4ZW5
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BU of 4zw5 by Molmil
X-ray crystal structure of PfA-M1 in complex with hydroxamic acid-based inhibitor 9f
Descriptor: M1 family aminopeptidase, MAGNESIUM ION, ZINC ION, ...
Authors:Drinkwater, N, McGowan, S.
Deposit date:2015-05-19
Release date:2016-03-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Potent dual inhibitors of Plasmodium falciparum M1 and M17 aminopeptidases through optimization of S1 pocket interactions.
Eur.J.Med.Chem., 110, 2016
4ZX5
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BU of 4zx5 by Molmil
X-ray crystal structure of PfA-M1 in complex with hydroxamic acid-based inhibitor 10q
Descriptor: DIMETHYL SULFOXIDE, GLYCEROL, M1 family aminopeptidase, ...
Authors:Drinkwater, N, McGowan, S.
Deposit date:2015-05-20
Release date:2016-03-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Potent dual inhibitors of Plasmodium falciparum M1 and M17 aminopeptidases through optimization of S1 pocket interactions.
Eur.J.Med.Chem., 110, 2016
4ZY3
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BU of 4zy3 by Molmil
Crystal Structure of Keap1 in Complex with a small chemical compound, K67
Descriptor: FORMIC ACID, Kelch-like ECH-associated protein 1, N,N'-[2-(2-oxopropyl)naphthalene-1,4-diyl]bis(4-ethoxybenzenesulfonamide)
Authors:Fukutomi, T, Iso, T, Suzuki, T, Takagi, K, Mizushima, T, Komatsu, M, Yamamoto, M.
Deposit date:2015-05-21
Release date:2016-05-25
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:p62/Sqstm1 promotes malignancy of HCV-positive hepatocellular carcinoma through Nrf2-dependent metabolic reprogramming
Nat Commun, 7, 2016
4XP4
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BU of 4xp4 by Molmil
X-ray structure of Drosophila dopamine transporter in complex with cocaine
Descriptor: 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, ANTIBODY FRAGMENT HEAVY CHAIN-PROTEIN, 9D5-HEAVY CHAIN, ...
Authors:Aravind, P, Wang, K, Gouaux, E.
Deposit date:2015-01-16
Release date:2015-05-06
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Neurotransmitter and psychostimulant recognition by the dopamine transporter.
Nature, 521, 2015
3MWJ
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BU of 3mwj by Molmil
Q28E mutant of HERA N-terminal RecA-like domain, apo form
Descriptor: Heat resistant RNA dependent ATPase, SULFATE ION
Authors:Rudolph, M.G, Klostermeier, D.
Deposit date:2010-05-06
Release date:2011-03-23
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Changing nucleotide specificity of the DEAD-box helicase Hera abrogates communication between the Q-motif and the P-loop.
Biol.Chem., 392, 2011
5GSE
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BU of 5gse by Molmil
Crystal structure of unusual nucleosome
Descriptor: DNA (250-MER), Histone H2A type 1-B/E, Histone H2B type 1-J, ...
Authors:Kato, D, Osakabe, A, Arimura, Y, Park, S.Y, Kurumizaka, H.
Deposit date:2016-08-16
Release date:2017-05-03
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.14 Å)
Cite:Crystal structure of the overlapping dinucleosome composed of hexasome and octasome
Science, 356, 2017
4R76
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BU of 4r76 by Molmil
Structure of the m17 leucyl aminopeptidase from malaria complexed with a hydroxamic acid-based inhibitor
Descriptor: 3-amino-N-{(1R)-2-(hydroxyamino)-2-oxo-1-[4-(1H-pyrazol-1-yl)phenyl]ethyl}benzamide, CARBONATE ION, M17 family aminopeptidase, ...
Authors:Drinkwater, N, Mcgowan, S.
Deposit date:2014-08-27
Release date:2014-10-29
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Two-Pronged Attack: Dual Inhibition of Plasmodium falciparum M1 and M17 Metalloaminopeptidases by a Novel Series of Hydroxamic Acid-Based Inhibitors.
J.Med.Chem., 57, 2014
4ZW6
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BU of 4zw6 by Molmil
X-ray crystal structure of PfA-M1 in complex with hydroxamic acid-based inhibitor 9q
Descriptor: DIMETHYL SULFOXIDE, GLYCEROL, M1 family aminopeptidase, ...
Authors:Drinkwater, N, McGowan, S.
Deposit date:2015-05-19
Release date:2016-03-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Potent dual inhibitors of Plasmodium falciparum M1 and M17 aminopeptidases through optimization of S1 pocket interactions.
Eur.J.Med.Chem., 110, 2016
3Q35
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BU of 3q35 by Molmil
Structure of the Rtt109-AcCoA/Vps75 complex and implications for chaperone-mediated histone acetylation
Descriptor: 1,2-ETHANEDIOL, ACETYL COENZYME *A, Histone acetyltransferase, ...
Authors:Tang, Y, Yuan, H, Meeth, K, Marmorstein, R.
Deposit date:2010-12-21
Release date:2011-02-02
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structure of the Rtt109-AcCoA/Vps75 Complex and Implications for Chaperone-Mediated Histone Acetylation.
Structure, 19, 2011
4ZW3
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BU of 4zw3 by Molmil
X-ray crystal structure of PfA-M1 in complex with hydroxamic acid-based inhibitor 9b
Descriptor: GLYCEROL, M1 family aminopeptidase, MAGNESIUM ION, ...
Authors:Drinkwater, N, McGowan, S.
Deposit date:2015-05-19
Release date:2016-03-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Potent dual inhibitors of Plasmodium falciparum M1 and M17 aminopeptidases through optimization of S1 pocket interactions.
Eur.J.Med.Chem., 110, 2016
4ZX4
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BU of 4zx4 by Molmil
X-ray crystal structure of PfA-M1 in complex with hydroxamic acid-based inhibitor 10o
Descriptor: DIMETHYL SULFOXIDE, GLYCEROL, M1 family aminopeptidase, ...
Authors:Drinkwater, N, McGowan, S.
Deposit date:2015-05-20
Release date:2016-03-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Potent dual inhibitors of Plasmodium falciparum M1 and M17 aminopeptidases through optimization of S1 pocket interactions.
Eur.J.Med.Chem., 110, 2016
5AAC
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BU of 5aac by Molmil
Structure of C1156Y Mutant Human Anaplastic Lymphoma Kinase in Complex with Crizotinib
Descriptor: 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine, ALK TYROSINE KINASE RECEPTOR
Authors:McTigue, M, Deng, Y, Liu, W, Brooun, A, Stewart, A.
Deposit date:2015-07-23
Release date:2016-06-08
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Resensitization to Crizotinib by the Lorlatinib Alk Resistance Mutation L1198F.
N.Engl.J.Med., 374, 2016
4ZX8
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BU of 4zx8 by Molmil
X-ray crystal structure of PfA-M17 in complex with hydroxamic acid-based inhibitor 9b
Descriptor: CARBONATE ION, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Drinkwater, N, McGowan, S.
Deposit date:2015-05-20
Release date:2016-03-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Potent dual inhibitors of Plasmodium falciparum M1 and M17 aminopeptidases through optimization of S1 pocket interactions.
Eur.J.Med.Chem., 110, 2016
4ZZT
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BU of 4zzt by Molmil
Geotrichum candidum Cel7A structure complex with thio-linked cellotriose at 1.56A
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CELLOBIOHYDROLASE CEL7A, GLYCEROL, ...
Authors:Borisova, A.S, Stahlberg, J.
Deposit date:2015-04-14
Release date:2015-09-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Sequencing, Biochemical Characterization, Crystal Structure and Molecular Dynamics of Cellobiohydrolase Cel7A from Geotrichum Candidum 3C.
FEBS J., 282, 2015
4ZZW
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BU of 4zzw by Molmil
Geotrichum candidum Cel7A structure complex with cellobiose at 1.5A
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CELLOBIOHYDROLASE I, ...
Authors:Borisova, A.S, Stahlberg, J.
Deposit date:2015-04-14
Release date:2015-09-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Sequencing, Biochemical Characterization, Crystal Structure and Molecular Dynamics of Cellobiohydrolase Cel7A from Geotrichum Candidum 3C.
FEBS J., 282, 2015
4ZW7
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BU of 4zw7 by Molmil
X-ray crystal structure of PfA-M1 in complex with hydroxamic acid-based inhibitor 9m
Descriptor: DIMETHYL SULFOXIDE, GLYCEROL, M1 family aminopeptidase, ...
Authors:Drinkwater, N, McGowan, S.
Deposit date:2015-05-19
Release date:2016-03-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Potent dual inhibitors of Plasmodium falciparum M1 and M17 aminopeptidases through optimization of S1 pocket interactions.
Eur.J.Med.Chem., 110, 2016
4ZYQ
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BU of 4zyq by Molmil
X-ray crystal structure of PfA-M17 in complex with hydroxamic acid-based inhibitor 10s
Descriptor: CARBONATE ION, N-{(1R)-2-(hydroxyamino)-1-[3'-(N'-hydroxycarbamimidoyl)biphenyl-4-yl]-2-oxoethyl}-2,2-dimethylpropanamide, PENTAETHYLENE GLYCOL, ...
Authors:Drinkwater, N, McGowan, S.
Deposit date:2015-05-22
Release date:2016-03-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Potent dual inhibitors of Plasmodium falciparum M1 and M17 aminopeptidases through optimization of S1 pocket interactions.
Eur.J.Med.Chem., 110, 2016
4ZZU
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BU of 4zzu by Molmil
Geotrichum candidum Cel7A structure complex with thio-linked cellotetraose at 1.4A
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CELLOBIOHYDROLASE I, ...
Authors:Borisova, A.S, Stahlberg, J.
Deposit date:2015-04-14
Release date:2015-09-23
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:Sequencing, Biochemical Characterization, Crystal Structure and Molecular Dynamics of Cellobiohydrolase Cel7A from Geotrichum Candidum 3C.
FEBS J., 282, 2015
4ZW8
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BU of 4zw8 by Molmil
X-ray crystal structure of PfA-M1 in complex with hydroxamic acid-based inhibitor 9r
Descriptor: DIMETHYL SULFOXIDE, GLYCEROL, M1 family aminopeptidase, ...
Authors:Drinkwater, N, McGowan, S.
Deposit date:2015-05-19
Release date:2016-03-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Potent dual inhibitors of Plasmodium falciparum M1 and M17 aminopeptidases through optimization of S1 pocket interactions.
Eur.J.Med.Chem., 110, 2016
4ZX6
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BU of 4zx6 by Molmil
X-ray crystal structure of PfA-M1 in complex with hydroxamic acid-based inhibitor 10s
Descriptor: DIMETHYL SULFOXIDE, GLYCEROL, M1 family aminopeptidase, ...
Authors:Drinkwater, N, McGowan, S.
Deposit date:2015-05-20
Release date:2016-03-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Potent dual inhibitors of Plasmodium falciparum M1 and M17 aminopeptidases through optimization of S1 pocket interactions.
Eur.J.Med.Chem., 110, 2016
4ZY0
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BU of 4zy0 by Molmil
X-ray crystal structure of PfA-M17 in complex with hydroxamic acid-based inhibitor 10q
Descriptor: CARBONATE ION, GLYCEROL, N-{(1R)-2-(hydroxyamino)-2-oxo-1-[4-(thiophen-3-yl)phenyl]ethyl}-2,2-dimethylpropanamide, ...
Authors:Drinkwater, N, McGowan, S.
Deposit date:2015-05-21
Release date:2016-03-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Potent dual inhibitors of Plasmodium falciparum M1 and M17 aminopeptidases through optimization of S1 pocket interactions.
Eur.J.Med.Chem., 110, 2016
4ZY2
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BU of 4zy2 by Molmil
X-ray crystal structure of PfA-M17 in complex with hydroxamic acid-based inhibitor 10o
Descriptor: CARBONATE ION, DIMETHYL SULFOXIDE, N-[(1R)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluorobiphenyl-4-yl)ethyl]-2,2-dimethylpropanamide, ...
Authors:Drinkwater, N, McGowan, S.
Deposit date:2015-05-21
Release date:2016-03-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Potent dual inhibitors of Plasmodium falciparum M1 and M17 aminopeptidases through optimization of S1 pocket interactions.
Eur.J.Med.Chem., 110, 2016
5AA9
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BU of 5aa9 by Molmil
Structure of L1198F Mutant Human Anaplastic Lymphoma Kinase in Complex with PF-06463922 ((10R)-7-amino-12-fluoro-2,10,16-trimethyl- 15-oxo-10,15,16,17-tetrahydro-2H-8,4-(metheno)pyrazolo(4,3-h)(2,5,11) benzoxadiazacyclotetradecine-3-carbonitrile).
Descriptor: (10R)-7-amino-12-fluoro-2,10,16-trimethyl-15-oxo-10,15,16,17-tetrahydro-2H-8,4-(metheno)pyrazolo[4,3-h][2,5,11]benzoxadiazacyclotetradecine-3-carbonitrile, ALK TYROSINE KINASE RECEPTOR
Authors:McTigue, M, Deng, Y.-L, Liu, W, Brooun, A, Stewart, A.
Deposit date:2015-07-23
Release date:2016-06-08
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Resensitization to Crizotinib by the Lorlatinib Alk Resistance Mutation L1198F.
N.Engl.J.Med., 374, 2016

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數據於2024-10-16公開中

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