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2P7U
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BU of 2p7u by Molmil
The crystal structure of rhodesain, the major cysteine protease of T. brucei rhodesiense, bound to inhibitor K777
Descriptor: Cysteine protease, NALPHA-[(4-METHYLPIPERAZIN-1-YL)CARBONYL]-N-{(1S)-3-PHENYL-1-[2-(PHENYLSULFONYL)ETHYL]PROPYL}-L-PHENYLALANINAMIDE
Authors:Brinen, L.S, Marion, R.
Deposit date:2007-03-20
Release date:2008-03-25
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Vinyl sulfones as antiparasitic agents and a structural basis for drug design.
J.Biol.Chem., 284, 2009
2OZ2
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BU of 2oz2 by Molmil
Crystal structure analysis of cruzain bound to vinyl sulfone derived inhibitor (K11777)
Descriptor: Cruzipain, NALPHA-[(4-METHYLPIPERAZIN-1-YL)CARBONYL]-N-{(1S)-3-PHENYL-1-[2-(PHENYLSULFONYL)ETHYL]PROPYL}-L-PHENYLALANINAMIDE, SULFATE ION
Authors:Rickert, M, Brinen, L.
Deposit date:2007-02-23
Release date:2008-02-26
Last modified:2019-09-04
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Vinyl sulfones as antiparasitic agents and a structural basis for drug design.
J.Biol.Chem., 284, 2009
1JO7
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BU of 1jo7 by Molmil
Solution Structure of Influenza A Virus Promoter
Descriptor: Influenza A virus promoter RNA
Authors:Bae, S.-H, Cheong, H.-K, Lee, J.-H, Cheong, C, Kainosho, M, Choi, B.-S.
Deposit date:2001-07-27
Release date:2001-09-19
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Structural features of an influenza virus promoter and their implications for viral RNA synthesis.
Proc.Natl.Acad.Sci.USA, 98, 2001
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
7EXP
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BU of 7exp by Molmil
Crystal structure of zebrafish TRAP1 with AMPPNP and MitoQ
Descriptor: 2,3-dimethoxy-5-methyl-6-[10-(triphenyl-$l^{5}-phosphanyl)decyl]cyclohexa-2,5-diene-1,4-dione, COBALT (II) ION, MAGNESIUM ION, ...
Authors:Lee, H, Yoon, N.G, Kang, B.H, Lee, C.
Deposit date:2021-05-28
Release date:2022-01-05
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.297 Å)
Cite:Mitoquinone Inactivates Mitochondrial Chaperone TRAP1 by Blocking the Client Binding Site.
J.Am.Chem.Soc., 143, 2021
6CHC
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BU of 6chc by Molmil
JzTx-V toxin peptide, wild-type
Descriptor: Beta/kappa-theraphotoxin-Cg2a
Authors:Jordan, J.B.
Deposit date:2018-02-22
Release date:2018-05-16
Method:SOLUTION NMR
Cite:Pharmacological characterization of potent and selective NaV1.7 inhibitors engineered from Chilobrachys jingzhao tarantula venom peptide JzTx-V.
PLoS ONE, 13, 2018
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
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
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
6CGW
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BU of 6cgw by Molmil
Solution NMR structure of JzTx-V, a Nav 1.7 inhibitory peptide
Descriptor: Beta/kappa-theraphotoxin-Cg2a
Authors:Jordan, J.B, Andrews, K.
Deposit date:2018-02-21
Release date:2018-05-02
Last modified:2023-11-15
Method:SOLUTION NMR
Cite:Pharmacological characterization of potent and selective NaV1.7 inhibitors engineered from Chilobrachys jingzhao tarantula venom peptide JzTx-V.
PLoS ONE, 13, 2018
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
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
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
6IO1
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BU of 6io1 by Molmil
Crystal structure of a novel thermostable (S)-enantioselective omega-transaminase from Thermomicrobium roseum
Descriptor: 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, Aminotransferase, class III
Authors:Park, H.H, Kwon, S.
Deposit date:2018-10-29
Release date:2019-05-22
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.803 Å)
Cite:Structural basis of substrate recognition by a novel thermostable (S)-enantioselective omega-transaminase from Thermomicrobium roseum.
Sci Rep, 9, 2019
7XDP
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BU of 7xdp by Molmil
Tunnel-redesigned O2-tolerant CO dehydrogenase for removal of CO in real flue gas (ChCODH2 A559S mutant in anaerobic condition)
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:2022-03-28
Release date:2022-10-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:O2-tolerant CO dehydrogenase via tunnel redesign for the removal of CO from industrial flue gas
Nat Catal, 5, 2022
7XDM
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BU of 7xdm by Molmil
ChCODH2 A559W mutant in anaerobic condition
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:2022-03-28
Release date:2022-10-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:O2-tolerant CO dehydrogenase via tunnel redesign for the removal of CO from industrial flue gas
Nat Catal, 5, 2022
7XDN
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BU of 7xdn by Molmil
Tunnel-redesigned O2-tolerant CO dehydrogenase for removal of CO in real flue gas (ChCODH2 A559H mutant in anaerobic condition)
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:2022-03-28
Release date:2022-10-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:O2-tolerant CO dehydrogenase via tunnel redesign for the removal of CO from industrial flue gas
Nat Catal, 5, 2022
4ZMS
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BU of 4zms by Molmil
Structure of the full-length response regulator spr1814 in complex with a phosphate analogue and B3C
Descriptor: 5-amino-2,4,6-tribromobenzene-1,3-diyl dihydroperoxide, BERYLLIUM TRIFLUORIDE ION, MAGNESIUM ION, ...
Authors:Chi, Y.M, Park, A.
Deposit date:2015-05-04
Release date:2016-04-27
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural characterization of the full-length response regulator spr1814 in complex with a phosphate analogue reveals a novel conformational plasticity of the linker region
Biochem.Biophys.Res.Commun., 473, 2016
4ZMR
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BU of 4zmr by Molmil
Structural characterization of the full-length response regulator spr1814 in complex with a phosphate analogue reveals a novel conformational plasticity of the linker region
Descriptor: BERYLLIUM TRIFLUORIDE ION, MAGNESIUM ION, Response regulator
Authors:Chi, Y.M, Park, A.
Deposit date:2015-05-04
Release date:2016-04-27
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.001 Å)
Cite:Structural characterization of the full-length response regulator spr1814 in complex with a phosphate analogue reveals a novel conformational plasticity of the linker region
Biochem.Biophys.Res.Commun., 473, 2016
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

221051

數據於2024-06-12公開中

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