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4EWR
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BU of 4ewr by Molmil
X-ray structure of WDR5-SETd1a Win motif peptide binary complex
分子名称: Histone-lysine N-methyltransferase SETD1A, WD repeat-containing protein 5
著者Dharmarajan, V, Lee, J.-H, Patel, A, Skalnik, D.G, Cosgrove, M.S.
登録日2012-04-27
公開日2012-05-30
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.503 Å)
主引用文献Structural basis for WDR5 interaction (Win) motif recognition in human SET1 family histone methyltransferases.
J.Biol.Chem., 287, 2012
4ESG
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BU of 4esg by Molmil
X-ray structure of WDR5-MLL1 Win motif peptide binary complex
分子名称: Histone-lysine N-methyltransferase MLL, WD repeat-containing protein 5
著者Dharmarajan, V, Lee, J.-H, Patel, A, Skalnik, D.G, Cosgrove, M.S.
登録日2012-04-23
公開日2012-05-30
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural basis for WDR5 interaction (Win) motif recognition in human SET1 family histone methyltransferases.
J.Biol.Chem., 287, 2012
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
分子名称: Cysteine protease, NALPHA-[(4-METHYLPIPERAZIN-1-YL)CARBONYL]-N-{(1S)-3-PHENYL-1-[2-(PHENYLSULFONYL)ETHYL]PROPYL}-L-PHENYLALANINAMIDE
著者Brinen, L.S, Marion, R.
登録日2007-03-20
公開日2008-03-25
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献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
分子名称: Influenza A virus promoter RNA
著者Bae, S.-H, Cheong, H.-K, Lee, J.-H, Cheong, C, Kainosho, M, Choi, B.-S.
登録日2001-07-27
公開日2001-09-19
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Structural features of an influenza virus promoter and their implications for viral RNA synthesis.
Proc.Natl.Acad.Sci.USA, 98, 2001
6KZB
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BU of 6kzb by Molmil
Transglutaminase2 complexed with calcium
分子名称: CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, Protein-glutamine gamma-glutamyltransferase 2
著者Park, H.H, Kim, C.M.
登録日2019-09-23
公開日2020-12-09
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.55 Å)
主引用文献Competitive Binding of Magnesium to Calcium Binding Sites Reciprocally Regulates Transamidase and GTP Hydrolysis Activity of Transglutaminase 2.
Int J Mol Sci, 21, 2020
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)
分子名称: Carbon monoxide dehydrogenase 2, FE(4)-NI(1)-S(5) CLUSTER, FE2/S2 (INORGANIC) CLUSTER, ...
著者Heo, Y.Y, Kim, S.M.
登録日2022-03-28
公開日2022-10-19
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献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
分子名称: Carbon monoxide dehydrogenase 2, FE(4)-NI(1)-S(5) CLUSTER, FE2/S2 (INORGANIC) CLUSTER, ...
著者Heo, Y.Y, Kim, S.M.
登録日2022-03-28
公開日2022-10-19
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献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)
分子名称: Carbon monoxide dehydrogenase 2, FE(4)-NI(1)-S(5) CLUSTER, FE2/S2 (INORGANIC) CLUSTER, ...
著者Heo, Y.Y, Kim, S.M.
登録日2022-03-28
公開日2022-10-19
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献O2-tolerant CO dehydrogenase via tunnel redesign for the removal of CO from industrial flue gas
Nat Catal, 5, 2022
5X9U
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BU of 5x9u by Molmil
Crystal structure of group III chaperonin in the open state
分子名称: ADENOSINE-5'-DIPHOSPHATE, Thermosome, alpha subunit
著者An, Y.J, Cha, S.S.
登録日2017-03-09
公開日2017-10-25
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (4.001 Å)
主引用文献Structural and mechanistic characterization of an archaeal-like chaperonin from a thermophilic bacterium
Nat Commun, 8, 2017
7C7B
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BU of 7c7b by Molmil
Crystal structure of human TRAP1 with SJT009
分子名称: 2-azanyl-9-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-6-chloranyl-purin-8-ol, Heat shock protein 75 kDa, mitochondrial
著者Kim, D, Yang, S, Yoon, N.G, Park, E, Kim, S.Y, Kang, B.H, Lee, C, Kang, S.
登録日2020-05-24
公開日2021-05-26
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Design and Synthesis of TRAP1 Selective Inhibitors: H-Bonding with Asn171 Residue in TRAP1 Increases Paralog Selectivity.
Acs Med.Chem.Lett., 12, 2021
7C7C
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BU of 7c7c by Molmil
Crystal structure of human TRAP1 with SJT104
分子名称: 2-azanyl-9-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-6-chloranyl-purin-8-ol, Heat shock protein 75 kDa, mitochondrial
著者Kim, D, Yang, S, Yoon, N.G, Park, E, Kim, S.Y, Kang, B.H, Lee, C, Kang, S.
登録日2020-05-24
公開日2021-05-26
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Design and Synthesis of TRAP1 Selective Inhibitors: H-Bonding with Asn171 Residue in TRAP1 Increases Paralog Selectivity.
Acs Med.Chem.Lett., 12, 2021
5X9V
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BU of 5x9v by Molmil
Crystal structure of group III chaperonin in the Closed state
分子名称: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Thermosome, ...
著者An, Y.J, Cha, S.S.
登録日2017-03-09
公開日2017-10-25
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.003 Å)
主引用文献Structural and mechanistic characterization of an archaeal-like chaperonin from a thermophilic bacterium
Nat Commun, 8, 2017
7BXZ
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BU of 7bxz by Molmil
Crystal structure of the aminoglycoside 6'-N-acetyltransferase from Enterococcus faecium
分子名称: Aminoglycoside 6'-N-acetyltransferase
著者Kwon, S, Park, H.H.
登録日2020-04-21
公開日2020-08-12
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.502 Å)
主引用文献Structural analysis of a novel substrate-free form of the aminoglycoside 6'-N-acetyltransferase from Enterococcus faecium.
Acta Crystallogr.,Sect.F, 76, 2020
7D27
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BU of 7d27 by Molmil
Structure of UDP-N-acetylmuramoyl-L-alanyl-D-glutamate--2, 6-diaminopimelate ligase
分子名称: UDP-N-acetylmuramoyl-L-alanyl-D-glutamate--2,6-diaminopimelate ligase
著者Park, H.H, Jeong, K.H.
登録日2020-09-16
公開日2021-07-28
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Wide-open conformation of UDP-MurNc-tripeptide ligase revealed by the substrate-free structure of MurE from Acinetobacter baumannii.
Febs Lett., 595, 2021
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)
分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 6,7,7-trimethyl-7,8-dihydropteridine-2,4-diamine, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Tulloch, L.B, Hunter, W.N.
登録日2009-09-06
公開日2009-12-08
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献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)
分子名称: 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
著者Tulloch, L.B, Hunter, W.N.
登録日2009-09-06
公開日2009-12-08
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献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)
分子名称: 6-[(4-methoxybenzyl)sulfanyl]pyrimidine-2,4-diamine, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Pteridine reductase 1
著者Tulloch, L.B, Hunter, W.N.
登録日2009-09-06
公開日2009-12-08
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献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)
分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 6-phenylpteridine-2,4,7-triamine, ACETATE ION, ...
著者Tulloch, L.B, Hunter, W.N.
登録日2009-09-06
公開日2009-12-08
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献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)
分子名称: (4S,5S)-1,2-DITHIANE-4,5-DIOL, 1,3,5-triazine-2,4,6-triamine, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ...
著者Tulloch, L.B, Hunter, W.N.
登録日2009-09-06
公開日2009-12-08
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献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)
分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 6,7-bis(1-methylethyl)pteridine-2,4-diamine, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Tulloch, L.B, Hunter, W.N.
登録日2009-09-06
公開日2009-12-08
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献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)
分子名称: 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, ...
著者Tulloch, L.B, Hunter, W.N.
登録日2009-09-06
公開日2009-12-08
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure-based design of pteridine reductase inhibitors targeting african sleeping sickness and the leishmaniases.
J.Med.Chem., 53, 2010
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)
分子名称: 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
著者Tulloch, L.B, Hunter, W.N.
登録日2009-09-06
公開日2009-12-08
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献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)
分子名称: 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, ...
著者Tulloch, L.B, Hunter, W.N.
登録日2009-09-06
公開日2009-12-08
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure-based design of pteridine reductase inhibitors targeting african sleeping sickness and the leishmaniases.
J.Med.Chem., 53, 2010
3JQA
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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)
分子名称: 2-amino-1,9-dihydro-6H-purine-6-thione, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Pteridine reductase 1
著者Tulloch, L.B, Hunter, W.N.
登録日2009-09-06
公開日2009-12-08
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献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)
分子名称: 2-amino-4-oxo-6-phenyl-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, ACETATE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Tulloch, L.B, Hunter, W.N.
登録日2009-09-06
公開日2009-12-08
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure-based design of pteridine reductase inhibitors targeting african sleeping sickness and the leishmaniases.
J.Med.Chem., 53, 2010

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