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2WBA
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BU of 2wba by Molmil
Properties of Trypanothione Reductase From T. brucei
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Jones, D, Ariza, A, Chow, W.H.A, Oza, S.L, Fairlamb, A.H.
Deposit date:2009-02-24
Release date:2009-11-24
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Comparative Structural, Kinetic and Inhibitor Studies of Trypanosoma Brucei Trypanothione Reductase with T. Cruzi.
Mol.Biochem.Parasitol., 169, 2010
5A29
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BU of 5a29 by Molmil
Family 2 Pectate Lyase from Vibrio vulnificus
Descriptor: 1,2-ETHANEDIOL, EXOPOLYGALACTURONATE LYASE, MANGANESE (II) ION, ...
Authors:McLean, R, Hobbs, J.K, Suits, M.D, Tuomivaara, S, Jones, D, Boraston, A.B, Abbott, D.W.
Deposit date:2015-05-15
Release date:2015-07-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Functional Analyses of Resurrected and Contemporary Enzymes Illuminate an Evolutionary Path for the Emergence of Exolysis in Polysaccharide Lyase Family 2.
J.Biol.Chem., 290, 2015
8G2Y
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BU of 8g2y by Molmil
Cryo-EM structure of ADGRF1 coupled to miniGs/q
Descriptor: Adhesion G-protein-coupled receptor F1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Jones, D, Rawson, S, Blacklow, S.
Deposit date:2023-02-06
Release date:2023-05-10
Method:ELECTRON MICROSCOPY (3.44 Å)
Cite:Tethered agonist activated ADGRF1 structure and signalling analysis reveal basis for G protein coupling.
Nat Commun, 14, 2023
6HD4
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BU of 6hd4 by Molmil
ABL1 IN COMPLEX WITH COMPOUND 7 AND IMATINIB (STI-571)
Descriptor: 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, 6-[(3~{R})-3-oxidanylpyrrolidin-1-yl]-5-pyrimidin-5-yl-~{N}-[4-(trifluoromethyloxy)phenyl]pyridine-3-carboxamide, CHLORIDE ION, ...
Authors:Cowan-Jacob, S.W.
Deposit date:2018-08-17
Release date:2018-10-24
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Discovery of Asciminib (ABL001), an Allosteric Inhibitor of the Tyrosine Kinase Activity of BCR-ABL1.
J. Med. Chem., 61, 2018
6HD6
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BU of 6hd6 by Molmil
ABL1 IN COMPLEX WITH COMPOUND6 AND IMATINIB (STI-571)
Descriptor: 3-(morpholin-4-ylmethyl)-~{N}-[4-(trifluoromethyloxy)phenyl]benzamide, 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, CHLORIDE ION, ...
Authors:Cowan-Jacob, S.W.
Deposit date:2018-08-17
Release date:2018-09-12
Last modified:2018-10-10
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of Asciminib (ABL001), an Allosteric Inhibitor of the Tyrosine Kinase Activity of BCR-ABL1.
J. Med. Chem., 61, 2018
5ANT
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BU of 5ant by Molmil
Potent and selective inhibitors of MTH1 probe its role in cancer cell survival
Descriptor: 2-(2-methoxyethoxy)-6-(methylamino)-9-(phenylmethyl)-7H-purin-8-one, 7,8-DIHYDRO-8-OXOGUANINE TRIPHOSPHATASE
Authors:Kettle, J.G, Alwan, H, Bista, M, Breed, J, Kack, H, Eckersley, K, Foote, K.M, Fillery, S, Goodwin, L, Jones, D, Lau, A, Nissink, J.W.M, Read, J, Scott, J, Taylor, B, Walker, G, Wissler, L.
Deposit date:2015-09-08
Release date:2016-03-02
Last modified:2017-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Potent and Selective Inhibitors of Mth1 Probe its Role in Cancer Cell Survival.
J.Med.Chem., 59, 2016
5ANS
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BU of 5ans by Molmil
Potent and selective inhibitors of MTH1 probe its role in cancer cell survival
Descriptor: 1-[4-amino-2-(ethoxymethyl)-1H-imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol, 7,8-DIHYDRO-8-OXOGUANINE TRIPHOSPHATASE
Authors:Kettle, J.G, Alwan, H, Bista, M, Breed, J, Kack, H, Eckersley, K, Foote, K.M, Fillery, S, Goodwin, L, Jones, D, Lau, A, Nissink, J.W.M, Read, J, Scott, J, Taylor, B, Walker, G, Wissler, L.
Deposit date:2015-09-08
Release date:2016-03-02
Last modified:2016-04-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Potent and Selective Inhibitors of Mth1 Probe its Role in Cancer Cell Survival.
J.Med.Chem., 59, 2016
6SMS
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BU of 6sms by Molmil
Vegetative Insecticidal Protein 1 (Vip1Ac1) from Bacillus thuringiensis
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, SULFATE ION, ...
Authors:Rizkallah, P.J, Al-Maslookhi, H.S, Berry, C, Jones, D.
Deposit date:2019-08-22
Release date:2021-02-10
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Bacillus thuringiensis insecticidal protein 1Ac, VIP1Ac
Not Published
1PEA
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BU of 1pea by Molmil
AMIDE RECEPTOR/NEGATIVE REGULATOR OF THE AMIDASE OPERON OF PSEUDOMONAS AERUGINOSA (AMIC) COMPLEXED WITH ACETAMIDE
Descriptor: ACETAMIDE, AMIDASE OPERON
Authors:Pearl, L.H, O'Hara, B.P.
Deposit date:1995-11-16
Release date:1996-04-03
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of AmiC: the controller of transcription antitermination in the amidase operon of Pseudomonas aeruginosa.
EMBO J., 13, 1994
1QNL
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BU of 1qnl by Molmil
AMIDE RECEPTOR/NEGATIVE REGULATOR OF THE AMIDASE OPERON OF PSEUDOMONAS AERUGINOSA (AMIC) COMPLEXED WITH BUTYRAMIDE
Descriptor: ALIPHATIC AMIDASE EXPRESSION-REGULATING PROTEIN, BUTYRAMIDE
Authors:Pearl, L.H, O'Hara, B.P, Roe, S.M.
Deposit date:1999-10-19
Release date:1999-12-23
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural Adaptation to Selective Pressure for Altered Ligand Specificity in the Pseudomonas Aeruginosa Amide Receptor, Amic
Protein Eng., 13, 2000
1QO0
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BU of 1qo0 by Molmil
Amide receptor of the amidase operon of Pseudomonas aeruginosa (AmiC) complexed with the negative regulator AmiR.
Descriptor: AMIC, AMIR, BUTYRAMIDE
Authors:Pearl, L.H, O'Hara, B.P, Roe, S.M.
Deposit date:1999-10-26
Release date:1999-12-23
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Crystal Structure and Induction Mechanism of Amic-Amir: A Ligand-Regulated Transcription Antitermination Complex
Embo J., 18, 1999

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