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3JQC
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BU of 3jqc by Molmil
Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor (NADP+) and inhibitor 2-amino-6-bromo-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile (JU2)
Descriptor: 2-amino-6-bromo-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Pteridine reductase 1
Authors:Tulloch, L.B, Hunter, W.N.
Deposit date:2009-09-06
Release date:2009-12-08
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure-based design of pteridine reductase inhibitors targeting african sleeping sickness and the leishmaniases.
J.Med.Chem., 53, 2010
3JQ7
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BU of 3jq7 by Molmil
Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor (NADP+) and inhibitor 6-phenylpteridine-2,4,7-triamine (DX2)
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 6-phenylpteridine-2,4,7-triamine, ACETATE ION, ...
Authors:Tulloch, L.B, Hunter, W.N.
Deposit date:2009-09-06
Release date:2009-12-08
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure-based design of pteridine reductase inhibitors targeting african sleeping sickness and the leishmaniases.
J.Med.Chem., 53, 2010
3JQF
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BU of 3jqf by Molmil
Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor (NADP+) and inhibitor 1,3,5-triazine-2,4,6-triamine (AX2)
Descriptor: (4S,5S)-1,2-DITHIANE-4,5-DIOL, 1,3,5-triazine-2,4,6-triamine, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ...
Authors:Tulloch, L.B, Hunter, W.N.
Deposit date:2009-09-06
Release date:2009-12-08
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure-based design of pteridine reductase inhibitors targeting african sleeping sickness and the leishmaniases.
J.Med.Chem., 53, 2010
3JQ6
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BU of 3jq6 by Molmil
Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor (NADP+) and inhibitor 6,7-bis(1-methylethyl)pteridine-2,4-diamine (DX1)
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 6,7-bis(1-methylethyl)pteridine-2,4-diamine, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Tulloch, L.B, Hunter, W.N.
Deposit date:2009-09-06
Release date:2009-12-08
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure-based design of pteridine reductase inhibitors targeting african sleeping sickness and the leishmaniases.
J.Med.Chem., 53, 2010
3JQE
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BU of 3jqe by Molmil
Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor (NADP+) and inhibitor 2-amino-6-(4-methoxyphenyl)-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile (DX8)
Descriptor: 2-amino-6-(4-methoxyphenyl)-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, ACETATE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Tulloch, L.B, Hunter, W.N.
Deposit date:2009-09-06
Release date:2009-12-08
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-based design of pteridine reductase inhibitors targeting african sleeping sickness and the leishmaniases.
J.Med.Chem., 53, 2010
3JQ9
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BU of 3jq9 by Molmil
Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor (NADP+) and inhibitor 2-amino-6-(1,3-benzodioxol-5-yl)-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile (AX1)
Descriptor: 2-amino-6-(1,3-benzodioxol-5-yl)-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Pteridine reductase 1
Authors:Tulloch, L.B, Hunter, W.N.
Deposit date:2009-09-06
Release date:2009-12-08
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure-based design of pteridine reductase inhibitors targeting african sleeping sickness and the leishmaniases.
J.Med.Chem., 53, 2010
3JQG
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BU of 3jqg by Molmil
Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor (NADP+) and inhibitor 6-[(4-methoxybenzyl)sulfanyl]pyrimidine-2,4-diamine (AX6)
Descriptor: 6-[(4-methoxybenzyl)sulfanyl]pyrimidine-2,4-diamine, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Pteridine reductase 1
Authors:Tulloch, L.B, Hunter, W.N.
Deposit date:2009-09-06
Release date:2009-12-08
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure-based design of pteridine reductase inhibitors targeting african sleeping sickness and the leishmaniases.
J.Med.Chem., 53, 2010
3JQ8
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BU of 3jq8 by Molmil
Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor (NADP+) and inhibitor 6,7,7-trimethyl-7,8-dihydropteridine-2,4-diamine (DX3)
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 6,7,7-trimethyl-7,8-dihydropteridine-2,4-diamine, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Tulloch, L.B, Hunter, W.N.
Deposit date:2009-09-06
Release date:2009-12-08
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure-based design of pteridine reductase inhibitors targeting african sleeping sickness and the leishmaniases.
J.Med.Chem., 53, 2010
3JQD
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BU of 3jqd by Molmil
Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor (NADP+) and inhibitor 2-amino-4-oxo-6-phenyl-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile (DX7)
Descriptor: 2-amino-4-oxo-6-phenyl-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, ACETATE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Tulloch, L.B, Hunter, W.N.
Deposit date:2009-09-06
Release date:2009-12-08
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure-based design of pteridine reductase inhibitors targeting african sleeping sickness and the leishmaniases.
J.Med.Chem., 53, 2010
3JQA
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BU of 3jqa by Molmil
Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor (NADP+) and inhibitor 2-amino-1,9-dihydro-6H-purine-6-thione (DX4)
Descriptor: 2-amino-1,9-dihydro-6H-purine-6-thione, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Pteridine reductase 1
Authors:Tulloch, L.B, Hunter, W.N.
Deposit date:2009-09-06
Release date:2009-12-08
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure-based design of pteridine reductase inhibitors targeting african sleeping sickness and the leishmaniases.
J.Med.Chem., 53, 2010
3JQB
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BU of 3jqb by Molmil
Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor (NADP+) and inhibitor 2-amino-5-(2-phenylethyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one (DX6)
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 2-amino-5-(2-phenylethyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Tulloch, L.B, Hunter, W.N.
Deposit date:2009-09-06
Release date:2009-12-08
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure-based design of pteridine reductase inhibitors targeting african sleeping sickness and the leishmaniases.
J.Med.Chem., 53, 2010
3LDJ
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BU of 3ldj by Molmil
Crystal structure of aprotinin in complex with sucrose octasulfate: unusual interactions and implication for heparin binding
Descriptor: 1,3,4,6-tetra-O-sulfo-beta-D-fructofuranose-(2-1)-2,3,4,6-tetra-O-sulfonato-alpha-D-glucopyranose, ACETATE ION, Pancreatic trypsin inhibitor
Authors:Yang, I.S, Kim, T.G, Park, B.S, Kim, K.H.
Deposit date:2010-01-13
Release date:2010-09-15
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structures of aprotinin and its complex with sucrose octasulfate reveal multiple modes of interactions with implications for heparin binding.
Biochem.Biophys.Res.Commun., 2010
5X9V
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BU of 5x9v by Molmil
Crystal structure of group III chaperonin in the Closed state
Descriptor: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Thermosome, ...
Authors:An, Y.J, Cha, S.S.
Deposit date:2017-03-09
Release date:2017-10-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.003 Å)
Cite:Structural and mechanistic characterization of an archaeal-like chaperonin from a thermophilic bacterium
Nat Commun, 8, 2017
7ERR
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BU of 7err by Molmil
Tunnel-redesigned O2-tolerant CO dehydrogenase for removal of CO in real flue gas (Aerobic ChCODH2 A559W mutant)
Descriptor: Carbon monoxide dehydrogenase 2, FE(4)-NI(1)-S(5) CLUSTER, FE2/S2 (INORGANIC) CLUSTER, ...
Authors:Heo, Y.Y, Kim, S.M.
Deposit date:2021-05-06
Release date:2022-10-05
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:O2-tolerant CO dehydrogenase via tunnel redesign for the removal of CO from industrial flue gas
Nat Catal, 5, 2022
2G97
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BU of 2g97 by Molmil
Crystal Structure of Visfatin/Pre-B Cell Colony Enhancing Factor 1/Nicotinamide Phosphoribosyltransferase In Complex with the Specific Inhibitor FK-866
Descriptor: (2E)-N-{4-[1-(benzenecarbonyl)piperidin-4-yl]butyl}-3-(pyridin-3-yl)prop-2-enamide, Nicotinamide phosphoribosyltransferase
Authors:Kim, M.-K, Eom, S.H.
Deposit date:2006-03-05
Release date:2006-08-01
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal Structure of Visfatin/Pre-B Cell Colony-enhancing Factor 1/Nicotinamide Phosphoribosyltransferase, Free and in Complex with the Anti-cancer Agent FK-866
J.Mol.Biol., 362, 2006
2G96
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BU of 2g96 by Molmil
Crystal Structure of Visfatin/Pre-B Cell Colony Enhancing Factor 1/Nicotinamide Phosphoribosyltransferase In Complex with Niconamide Mononucleotide
Descriptor: BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE, Nicotinamide phosphoribosyltransferase
Authors:Eom, S.H, Kim, M.-K.
Deposit date:2006-03-05
Release date:2006-08-01
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal Structure of Visfatin/Pre-B Cell Colony-enhancing Factor 1/Nicotinamide Phosphoribosyltransferase, Free and in Complex with the Anti-cancer Agent FK-866
J.Mol.Biol., 362, 2006
2G95
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BU of 2g95 by Molmil
Crystal Structure of Visfatin/Pre-B Cell Colony Enhancing Factor 1/Nicotinamide Phosphoribosyltransferase
Descriptor: Nicotinamide phosphoribosyltransferase
Authors:Kim, M.-K, Eom, S.H.
Deposit date:2006-03-05
Release date:2006-08-01
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structure of Visfatin/Pre-B Cell Colony-enhancing Factor 1/Nicotinamide Phosphoribosyltransferase, Free and in Complex with the Anti-cancer Agent FK-866
J.Mol.Biol., 362, 2006
2GQT
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BU of 2gqt by Molmil
Crystal Structure of UDP-N-Acetylenolpyruvylglucosamine Reductase (MurB) from Thermus caldophilus
Descriptor: CALCIUM ION, FLAVIN-ADENINE DINUCLEOTIDE, UDP-N-Acetylenolpyruvylglucosamine Reductase
Authors:Kim, M.-K, Eom, S.H.
Deposit date:2006-04-21
Release date:2006-12-19
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Crystal structure of UDP-N-acetylenolpyruvylglucosamine reductase (MurB) from Thermus caldophilus
Proteins, 66, 2006
2GQU
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BU of 2gqu by Molmil
Crystal Structure of UDP-N-Acetylenolpyruvylglucosamine Reductase (MurB) from Thermus caldophilus
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, UDP-N-Acetylenolpyruvylglucosamine Reductase, URIDINE-DIPHOSPHATE-2(N-ACETYLGLUCOSAMINYL) BUTYRIC ACID
Authors:Eom, S.H, Kim, M.-K.
Deposit date:2006-04-21
Release date:2006-12-19
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structure of UDP-N-acetylenolpyruvylglucosamine reductase (MurB) from Thermus caldophilus
Proteins, 66, 2006
5SXM
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BU of 5sxm by Molmil
WDR5 in complex with MLL Win motif peptidomimetic
Descriptor: ACE-ALA-ARG-THR-GLU-VAL-TYR-NH2, WD repeat-containing protein 5
Authors:Alicea-Velazquez, N.L, Shinsky, S.A, Cosgrove, M.S.
Deposit date:2016-08-09
Release date:2016-09-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2 Å)
Cite:Targeted Disruption of the Interaction between WD-40 Repeat Protein 5 (WDR5) and Mixed Lineage Leukemia (MLL)/SET1 Family Proteins Specifically Inhibits MLL1 and SETd1A Methyltransferase Complexes.
J.Biol.Chem., 291, 2016
5TRL
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BU of 5trl by Molmil
Crystal structure of human GCN5 histone acetyltransferase domain
Descriptor: Histone acetyltransferase KAT2A, SUCCINYL-COENZYME A
Authors:Guo, Y.R, Tao, Y.J.
Deposit date:2016-10-26
Release date:2017-12-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.299 Å)
Cite:KAT2A coupled with the alpha-KGDH complex acts as a histone H3 succinyltransferase.
Nature, 552, 2017
5TRM
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BU of 5trm by Molmil
Crystal structure of human GCN5 histone acetyltransferase domain
Descriptor: Histone acetyltransferase KAT2A
Authors:Guo, Y.R, Tao, Y.J.
Deposit date:2016-10-26
Release date:2017-12-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:KAT2A coupled with the alpha-KGDH complex acts as a histone H3 succinyltransferase.
Nature, 552, 2017
3B2W
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BU of 3b2w by Molmil
Crystal structure of pyrimidine amide 11 bound to Lck
Descriptor: N-[5-({[2-fluoro-3-(trifluoromethyl)phenyl]amino}carbonyl)-2-methylphenyl]-4-methoxy-2-[(4-piperazin-1-ylphenyl)amino]pyrimidine-5-carboxamide, Proto-oncogene tyrosine-protein kinase LCK
Authors:Huang, X.
Deposit date:2007-10-19
Release date:2007-12-18
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:N-(3-(phenylcarbamoyl)arylpyrimidine)-5-carboxamides as potent and selective inhibitors of Lck: structure, synthesis and SAR.
Bioorg.Med.Chem.Lett., 18, 2008
3BMO
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BU of 3bmo by Molmil
Structure of Pteridine Reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor (NADP+) and inhibitor (Compound AX4)
Descriptor: (4S,5S)-1,2-DITHIANE-4,5-DIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 6-[(4-methylphenyl)sulfanyl]pyrimidine-2,4-diamine, ...
Authors:Martini, V.P, Iulek, J, Hunter, W.N, Tulloch, L.B.
Deposit date:2007-12-13
Release date:2008-12-16
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure-based design of pteridine reductase inhibitors targeting african sleeping sickness and the leishmaniases.
J.Med.Chem., 53, 2010
3BMN
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BU of 3bmn by Molmil
Structure of Pteridine Reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor (NADP+) and inhibitor (Compound AX3)
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, GLYCEROL, ...
Authors:Martini, V.P, Iulek, J, Tulloch, L.B, Hunter, W.N.
Deposit date:2007-12-13
Release date:2008-12-16
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Structure-based design of pteridine reductase inhibitors targeting african sleeping sickness and the leishmaniases.
J.Med.Chem., 53, 2010

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