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5YA5
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BU of 5ya5 by Molmil
CRYSTAL STRUCTURE OF c-MET IN COMPLEX WITH NOVEL INHIBITOR
Descriptor: 2-[3-(4-methoxybenzyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-1H-indole, Hepatocyte growth factor receptor
Authors:Liu, Q, Xu, Y.
Deposit date:2017-08-30
Release date:2018-07-04
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Discovery, optimization and biological evaluation for novel c-Met kinase inhibitors
Eur J Med Chem, 143, 2018
6E7R
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BU of 6e7r by Molmil
Heterodimer of the GluN1b-GluN2B NMDA receptor amino-terminal domains bound to allosteric inhibitor 93-4
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
Authors:Regan, M.C, Furukawa, H.
Deposit date:2018-07-27
Release date:2019-01-30
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural elements of a pH-sensitive inhibitor binding site in NMDA receptors
Nat Commun, 10, 2019
8VEU
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BU of 8veu by Molmil
Crystal structure of PRMT5:MEP50 in complex with MTA and oxamide compound 23
Descriptor: 1,2-ETHANEDIOL, 5'-DEOXY-5'-METHYLTHIOADENOSINE, Methylosome protein 50, ...
Authors:Whittington, D.A.
Deposit date:2023-12-20
Release date:2024-04-24
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:Discovery of TNG908: A Selective, Brain Penetrant, MTA-Cooperative PRMT5 Inhibitor That Is Synthetically Lethal with MTAP -Deleted Cancers.
J.Med.Chem., 67, 2024
8VEO
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BU of 8veo by Molmil
Crystal structure of PRMT5:MEP50 in complex with MTA
Descriptor: 1,2-ETHANEDIOL, 5'-DEOXY-5'-METHYLTHIOADENOSINE, DI(HYDROXYETHYL)ETHER, ...
Authors:Whittington, D.A.
Deposit date:2023-12-20
Release date:2024-04-24
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Discovery of TNG908: A Selective, Brain Penetrant, MTA-Cooperative PRMT5 Inhibitor That Is Synthetically Lethal with MTAP -Deleted Cancers.
J.Med.Chem., 67, 2024
8VEW
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BU of 8vew by Molmil
Crystal structure of PRMT5:MEP50 in complex with MTA and oxamide compound 24
Descriptor: 5'-DEOXY-5'-METHYLTHIOADENOSINE, 5-{2-[(2R,5S)-5-methyl-2-phenylpiperidin-1-yl](oxo)acetamido}pyridine-3-carboxamide, CHLORIDE ION, ...
Authors:Whittington, D.A.
Deposit date:2023-12-20
Release date:2024-04-24
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Discovery of TNG908: A Selective, Brain Penetrant, MTA-Cooperative PRMT5 Inhibitor That Is Synthetically Lethal with MTAP -Deleted Cancers.
J.Med.Chem., 67, 2024
8VEX
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BU of 8vex by Molmil
Crystal structure of PRMT5:MEP50 in complex with MTA and oxamide compound 28
Descriptor: 5'-DEOXY-5'-METHYLTHIOADENOSINE, CHLORIDE ION, GLYCEROL, ...
Authors:Whittington, D.A.
Deposit date:2023-12-20
Release date:2024-04-24
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Discovery of TNG908: A Selective, Brain Penetrant, MTA-Cooperative PRMT5 Inhibitor That Is Synthetically Lethal with MTAP -Deleted Cancers.
J.Med.Chem., 67, 2024
8VET
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BU of 8vet by Molmil
Crystal structure of PRMT5:MEP50 in complex with MTA and oxamide compound 1
Descriptor: 1,2-ETHANEDIOL, 5'-DEOXY-5'-METHYLTHIOADENOSINE, CHLORIDE ION, ...
Authors:Whittington, D.A.
Deposit date:2023-12-20
Release date:2024-04-24
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.63 Å)
Cite:Discovery of TNG908: A Selective, Brain Penetrant, MTA-Cooperative PRMT5 Inhibitor That Is Synthetically Lethal with MTAP -Deleted Cancers.
J.Med.Chem., 67, 2024
8VEY
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BU of 8vey by Molmil
Crystal structure of PRMT5:MEP50 in complex with MTA and TNG908
Descriptor: 1,2-ETHANEDIOL, 5'-DEOXY-5'-METHYLTHIOADENOSINE, CHLORIDE ION, ...
Authors:Whittington, D.A.
Deposit date:2023-12-20
Release date:2024-04-24
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Discovery of TNG908: A Selective, Brain Penetrant, MTA-Cooperative PRMT5 Inhibitor That Is Synthetically Lethal with MTAP -Deleted Cancers.
J.Med.Chem., 67, 2024
1RCW
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BU of 1rcw by Molmil
Crystal structure of CT610 from Chlamydia trachomatis
Descriptor: CT610, FE (III) ION
Authors:Schwarzenbacher, R, Liddington, R.C.
Deposit date:2003-11-04
Release date:2004-05-04
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of the Chlamydia protein CADD reveals a redox enzyme that modulates host cell apoptosis.
J.Biol.Chem., 279, 2004
5KQA
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BU of 5kqa by Molmil
Crystal structure of buckwheat glutaredoxin-glutathione complex
Descriptor: GLUTATHIONE, Glutaredoxin-glutathione complex
Authors:Zhang, X, Wang, W, Zhao, Y, Wang, Z, Wang, H.
Deposit date:2016-07-06
Release date:2017-07-05
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural insights into the binding of buckwheat glutaredoxin with GSH and regulation of its catalytic activity
J. Inorg. Biochem., 173, 2017
7P5O
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BU of 7p5o by Molmil
Crystal structure of Aspergillus fumigatus phosphoglucomutase in complex with the reaction intermediate
Descriptor: 1,6-di-O-phosphono-alpha-D-glucopyranose, MAGNESIUM ION, Phosphoglucomutase
Authors:Raimi, O.G, Yan, K, van Aalten, D.M.F.
Deposit date:2021-07-14
Release date:2022-07-27
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Targeting an essential step in the biosynthetic pathway of uridine diphosphate glucose in Aspergillus fumigatus
To Be Published
7Q83
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BU of 7q83 by Molmil
Crystal structure of S. cerevisiae Sso2 in complex with the pleckstrin homology domain of Sec3
Descriptor: Exocyst complex component SEC3, Protein SSO2
Authors:Zhang, Y, Dong, G.
Deposit date:2021-11-09
Release date:2022-08-31
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Double NPY motifs at the N-terminus of the yeast t-SNARE Sso2 synergistically bind Sec3 to promote membrane fusion.
Elife, 11, 2022
7PIZ
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BU of 7piz by Molmil
The structure of phosphoglucomutase from Candida albicans
Descriptor: Phosphoglucomutase, SULFATE ION
Authors:Yan, K, van Aalten, D.M.F.
Deposit date:2021-08-23
Release date:2022-09-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Targeting an essential step in the biosynthetic pathway of uridine diphosphate glucose in Aspergillus fumigatus
To Be Published
7PJC
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BU of 7pjc by Molmil
The structure of Candida albicans phosphoglucomutase with isothiazolone modification on Cys359
Descriptor: GLYCEROL, Phosphoglucomutase, SULFATE ION, ...
Authors:Yan, K, van Aalten, D.M.F.
Deposit date:2021-08-23
Release date:2022-09-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Targeting an essential step in the biosynthetic pathway of uridine diphosphate glucose in Aspergillus fumigatus
To Be Published
7PPR
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BU of 7ppr by Molmil
The structure of UDP-glucose pyrophosphorylase from Aspergillus fumigatus
Descriptor: CHLORIDE ION, SULFATE ION, UTP--glucose-1-phosphate uridylyltransferase
Authors:Morton, S, Raimi, O.G, Yan, K, van Aalten, D.M.F.
Deposit date:2021-09-14
Release date:2022-09-21
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:Genetic and structural validation of UDP-glucose pyrophosphorylase as a novel antifungal target against Aspergillus fumigatus
To Be Published
7YTL
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BU of 7ytl by Molmil
Structure of a oxidoreductase in complex with quinone
Descriptor: Apoptosis inducing factor mitochondria associated 2, FLAVIN-ADENINE DINUCLEOTIDE, UBIQUINONE-1
Authors:Lv, Y, Sun, Q, Wang, Q, Zhu, D.
Deposit date:2022-08-15
Release date:2023-08-23
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:Structural insights into FSP1 catalysis and ferroptosis inhibition.
Nat Commun, 14, 2023
3PKE
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BU of 3pke by Molmil
M. tuberculosis MetAP with bengamide analog Y10, in Ni form
Descriptor: (E,2R,3R,4S,5R)-N-(2,3-dihydro-1H-inden-2-yl)-2-methoxy-8,8-dimethyl-3,4,5-tris(oxidanyl)non-6-enamide, CHLORIDE ION, Methionine aminopeptidase, ...
Authors:Ye, Q.Z, Lu, J.P.
Deposit date:2010-11-11
Release date:2011-04-20
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Inhibition of Mycobacterium tuberculosis Methionine Aminopeptidases by Bengamide Derivatives.
Chemmedchem, 6, 2011
3PKB
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BU of 3pkb by Molmil
M. tuberculosis MetAP with bengamide analog Y16, in Mn form
Descriptor: (E,2R,3R,4S,5R)-N-(2-azanyl-2-oxidanylidene-ethyl)-2-methoxy-8,8-dimethyl-3,4,5-tris(oxidanyl)non-6-enamide, CHLORIDE ION, MANGANESE (II) ION, ...
Authors:Ye, Q.Z, Lu, J.P.
Deposit date:2010-11-11
Release date:2011-04-20
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Inhibition of Mycobacterium tuberculosis Methionine Aminopeptidases by Bengamide Derivatives.
Chemmedchem, 6, 2011
3PKD
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BU of 3pkd by Molmil
M. tuberculosis MetAP with bengamide analog Y10, in Mn form
Descriptor: (E,2R,3R,4S,5R)-N-(2,3-dihydro-1H-inden-2-yl)-2-methoxy-8,8-dimethyl-3,4,5-tris(oxidanyl)non-6-enamide, MANGANESE (II) ION, Methionine aminopeptidase
Authors:Ye, Q.Z, Lu, J.P.
Deposit date:2010-11-11
Release date:2011-04-20
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Inhibition of Mycobacterium tuberculosis Methionine Aminopeptidases by Bengamide Derivatives.
Chemmedchem, 6, 2011
3PKC
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BU of 3pkc by Molmil
M. tuberculosis MetAP with bengamide analog Y08, in Mn form
Descriptor: (E,2R,3R,4S,5R)-N-[[(3S)-1-cyclopropylcarbonylpiperidin-3-yl]methyl]-2-methoxy-8,8-dimethyl-3,4,5-tris(oxidanyl)non-6-enamide, MANGANESE (II) ION, Methionine aminopeptidase
Authors:Ye, Q.Z, Lu, J.P.
Deposit date:2010-11-11
Release date:2011-04-20
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Inhibition of Mycobacterium tuberculosis Methionine Aminopeptidases by Bengamide Derivatives.
Chemmedchem, 6, 2011
3PKA
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BU of 3pka by Molmil
M. tuberculosis MetAP with bengamide analog Y02, in Mn form
Descriptor: (2R,3R,4S,5R,6E)-3,4,5-trihydroxy-2-methoxy-8,8-dimethyl-N-[2-(2,4,6-trimethylphenoxy)ethyl]non-6-enamide, CHLORIDE ION, MANGANESE (II) ION, ...
Authors:Ye, Q.Z, Lu, J.P.
Deposit date:2010-11-11
Release date:2011-04-20
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Inhibition of Mycobacterium tuberculosis Methionine Aminopeptidases by Bengamide Derivatives.
Chemmedchem, 6, 2011
4OX2
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BU of 4ox2 by Molmil
I45T cytosolic phosphoenolpyruvate carboxykinase in complex with beta-sulfopyruvate and GTP
Descriptor: 2-ETHOXYETHANOL, GUANOSINE-5'-TRIPHOSPHATE, MANGANESE (II) ION, ...
Authors:Holyoak, T.
Deposit date:2014-02-04
Release date:2014-06-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Three rare diseases in one Sib pair: RAI1, PCK1, GRIN2B mutations associated with Smith-Magenis Syndrome, cytosolic PEPCK deficiency and NMDA receptor glutamate insensitivity.
Mol.Genet.Metab., 113, 2014
5GTX
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BU of 5gtx by Molmil
Crystal structure of mutated buckwheat glutaredoxin
Descriptor: buckwheat glutaredoxin
Authors:Zhang, X, Wang, W, Zhao, Y, Wang, Z, Wang, H.
Deposit date:2016-08-23
Release date:2017-07-05
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Structural insights into the binding of buckwheat glutaredoxin with GSH and regulation of its catalytic activity
J. Inorg. Biochem., 173, 2017
2DKK
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BU of 2dkk by Molmil
Structure/Function studies of Cytochrome P450 158A1 from Streptomyces Coelicolor A3(2)
Descriptor: IMIDAZOLE, PROTOPORPHYRIN IX CONTAINING FE, cytochrome P450
Authors:Zhao, B.
Deposit date:2006-04-12
Release date:2007-04-17
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Different binding modes of two flaviolin substrate molecules in cytochrome P450 158A1 (CYP158A1) compared to CYP158A2.
Biochemistry, 46, 2007
2IXA
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BU of 2ixa by Molmil
A-zyme, N-acetylgalactosaminidase
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, ALPHA-N-ACETYLGALACTOSAMINIDASE, ...
Authors:Sulzenbacher, G, Liu, Q.P, Bourne, Y, Henrissat, B, Clausen, H.
Deposit date:2006-07-07
Release date:2007-04-10
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Bacterial Glycosidases for the Production of Universal Red Blood Cells.
Nat.Biotechnol., 25, 2007

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