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3VWN
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BU of 3vwn by Molmil
Crystal structure of 6-aminohexanoate-dimer hydrolase G181D/R187G/H266N/D370Y mutant
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-aminohexanoate-dimer hydrolase, GLYCEROL, ...
著者Kawashima, Y, Shibata, N, Negoro, S, Higuchi, Y.
登録日2012-08-30
公開日2013-10-16
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Structural, kinetic and theoretical analyses of hydrolase mutants altering in the directionality and equilibrium point of reversible amide-synthetic/hydrolytic reaction
To be Published
5AVF
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BU of 5avf by Molmil
The ligand binding domain of Mlp37 with taurine
分子名称: 2-AMINOETHANESULFONIC ACID, Methyl-accepting chemotaxis (MCP) signaling domain protein
著者Takahashi, Y, Sumita, K, Uchida, Y, Nishiyama, S, Kawagishi, I, Imada, K.
登録日2015-06-15
公開日2016-06-01
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Identification of a Vibrio cholerae chemoreceptor that senses taurine and amino acids as attractants
Sci Rep, 6, 2016
6R9W
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BU of 6r9w by Molmil
Crystal structure of InhA in complex with AP-124 inhibitor
分子名称: (2~{S})-1-(benzimidazol-1-yl)-3-(2,3-dihydro-1~{H}-inden-5-yloxy)propan-2-ol, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Takebayashi, Y, Hinchliffe, P, Spencer, J.
登録日2019-04-04
公開日2019-12-25
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Discovery of New and Potent InhA Inhibitors as Antituberculosis Agents: Structure-Based Virtual Screening Validated by Biological Assays and X-ray Crystallography.
J.Chem.Inf.Model., 60, 2020
6RUJ
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BU of 6ruj by Molmil
Factor inhibiting HIF-1 alpha in complex with consensus ankyrin repeat domain-(d)3-hydroxy-Leu peptide
分子名称: CONSENSUS ANKYRIN REPEAT DOMAIN-(D)3-hydroxy-Leu, Hypoxia-inducible factor 1-alpha inhibitor, N-OXALYLGLYCINE, ...
著者Nakashima, Y, McDonough, M.A, Schofield, C.J.
登録日2019-05-28
公開日2020-07-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献A human protein hydroxylase that accepts D-residues
Commun Chem, 2020
8K71
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BU of 8k71 by Molmil
Factor-inhibiting hypoxia-inducible factor in complex with Zn(II) and 2-(3-hydroxy-2-((2-((naphthalen-2-ylmethyl)sulfonyl)acetyl)imino)-2,3-dihydrothiazol-4-yl)acetic acid
分子名称: 2-[(2~{Z})-2-[2-(naphthalen-2-ylmethylsulfonyl)ethanoylimino]-3-oxidanyl-1,3-thiazol-4-yl]ethanoic acid, GLYCEROL, Hypoxia-inducible factor 1-alpha inhibitor, ...
著者Nakashima, Y, Corner, T.P, Teo, R.Z.R, Brewitz, L, Schofield, C.J.
登録日2023-07-26
公開日2023-12-13
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献Structure-guided optimisation of N -hydroxythiazole-derived inhibitors of factor inhibiting hypoxia-inducible factor-alpha.
Chem Sci, 14, 2023
8K72
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BU of 8k72 by Molmil
Factor-inhibiting hypoxia-inducible factor in complex with Zn(II) and 2-(3-hydroxy-2-((3-(phenylsulfonamido)propanoyl)imino)-2,3-dihydrothiazol-4-yl)acetic acid
分子名称: 2-[(2~{Z})-3-oxidanyl-2-[3-(phenylsulfonylamino)propanoylimino]-1,3-thiazol-4-yl]ethanoic acid, GLYCEROL, Hypoxia-inducible factor 1-alpha inhibitor, ...
著者Nakashima, Y, Corner, T.P, Teo, R.Z.R, Brewitz, L, Schofield, C.J.
登録日2023-07-26
公開日2023-12-13
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Structure-guided optimisation of N -hydroxythiazole-derived inhibitors of factor inhibiting hypoxia-inducible factor-alpha.
Chem Sci, 14, 2023
8K73
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BU of 8k73 by Molmil
Factor-inhibiting hypoxia-inducible factor in complex with Zn(II) and 2-(3-hydroxy-2-((1-(phenylsulfonyl)pyrrolidine-3-carbonyl)imino)-2,3-dihydrothiazol-4-yl)acetic acid
分子名称: 2-[(2~{Z})-3-oxidanyl-2-[(3~{R})-1-(phenylsulfonyl)pyrrolidin-3-yl]carbonylimino-1,3-thiazol-4-yl]ethanoic acid, GLYCEROL, Hypoxia-inducible factor 1-alpha inhibitor, ...
著者Nakashima, Y, Corner, T.P, Teo, R.Z.R, Brewitz, L, Schofield, C.J.
登録日2023-07-26
公開日2023-12-13
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Structure-guided optimisation of N -hydroxythiazole-derived inhibitors of factor inhibiting hypoxia-inducible factor-alpha.
Chem Sci, 14, 2023
7Y3V
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BU of 7y3v by Molmil
Crystal structure of CdpNPT in complex with harmane
分子名称: 1-methyl-9H-pyrido[3,4-b]indole, Cyclic dipeptide N-prenyltransferase, PHOSPHATE ION
著者Nakashima, Y, Morita, H.
登録日2022-06-13
公開日2023-04-05
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献Catalytic potential of a fungal indole prenyltransferase toward beta-carbolines, harmine and harman, and their prenylation effects on antibacterial activity.
J.Biosci.Bioeng., 134, 2022
7XVJ
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BU of 7xvj by Molmil
Crystal structure of CdpNPT in complex with harmol
分子名称: 1-methyl-9~{H}-pyrido[3,4-b]indol-7-ol, Cyclic dipeptide N-prenyltransferase, PHOSPHATE ION
著者Nakashima, Y, Morita, H.
登録日2022-05-24
公開日2023-04-05
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Enzymatic formation of a prenyl beta-carboline by a fungal indole prenyltransferase.
J Nat Med, 76, 2022
3D79
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BU of 3d79 by Molmil
Crystal structure of hypothetical protein PH0734.1 from hyperthermophilic archaea Pyrococcus horikoshii OT3
分子名称: Putative uncharacterized protein PH0734
著者Nishimura, Y, Miyazono, K, Sawano, Y, Makino, T, Nagata, K, Tanokura, M.
登録日2008-05-20
公開日2008-12-09
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Crystal structure of hypothetical protein PH0734.1 from hyperthermophilic archaea Pyrococcus horikoshii OT3.
Proteins, 73, 2008
6WOX
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BU of 6wox by Molmil
Thermus thermophilus RNA polymerase initially transcribing complex with 2'dCTP
分子名称: 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, DNA (25-MER), DNA (5'-D(P*TP*GP*CP*AP*TP*CP*CP*GP*TP*GP*AP*GP*TP*GP*CP*AP*G)-3'), ...
著者Shin, Y, Murakami, K.S.
登録日2020-04-26
公開日2020-06-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.14 Å)
主引用文献The mechanism of the nucleo-sugar selection by multi-subunit RNA polymerases.
Nat Commun, 12, 2021
6WOY
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BU of 6woy by Molmil
Thermus thermophilus RNA polymerase initially transcribing complex with 3'dCTP
分子名称: 3'-DEOXY-CYTIDINE-5'-TRIPHOSPHATE, DNA (25-MER), DNA (5'-D(P*TP*GP*CP*AP*TP*CP*CP*GP*TP*GP*AP*GP*TP*GP*CP*AP*G)-3'), ...
著者Shin, Y, Murakami, K.S.
登録日2020-04-26
公開日2020-06-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献The mechanism of the nucleo-sugar selection by multi-subunit RNA polymerases.
Nat Commun, 12, 2021
5B3D
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BU of 5b3d by Molmil
Structure of a flagellar type III secretion chaperone, FlgN
分子名称: Flagella synthesis protein FlgN
著者Nakanishi, Y, Kinoshita, M, Namba, K, Minamino, T, Imada, K.
登録日2016-02-15
公開日2016-06-01
最終更新日2020-02-26
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Rearrangements of alpha-helical structures of FlgN chaperone control the binding affinity for its cognate substrates during flagellar type III export
Mol.Microbiol., 101, 2016
1QPK
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BU of 1qpk by Molmil
MUTANT (D193G) MALTOTETRAOSE-FORMING EXO-AMYLASE IN COMPLEX WITH MALTOTETRAOSE
分子名称: CALCIUM ION, PROTEIN (MALTOTETRAOSE-FORMING AMYLASE), alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
著者Yoshioka, Y, Hasegawa, K, Matsuura, Y, Katsube, Y, Kubota, M.
登録日1999-05-26
公開日1999-11-17
最終更新日2021-11-03
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Roles of catalytic residues in alpha-amylases as evidenced by the structures of the product-complexed mutants of a maltotetraose-forming amylase.
Protein Eng., 12, 1999
5KC2
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BU of 5kc2 by Molmil
Negative stain structure of Vps15/Vps34 complex
分子名称: Phosphatidylinositol 3-kinase VPS34, Serine/threonine-protein kinase VPS15
著者Kirsten, M.L, Zhang, L, Ohashi, Y, Perisic, O, Williams, R.L, Sachse, C.
登録日2016-06-04
公開日2016-10-05
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (28 Å)
主引用文献Characterization of Atg38 and NRBF2, a fifth subunit of the autophagic Vps34/PIK3C3 complex.
Autophagy, 12, 2016
5C5O
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BU of 5c5o by Molmil
Structure of SARS-3CL protease complex with a phenyl-beta-alanyl (S,R)-N-decalin type inhibitor
分子名称: (2S)-3-(1H-imidazol-5-yl)-2-({[(3S,4aR,8aS)-2-(N-phenyl-beta-alanyl)decahydroisoquinolin-3-yl]methyl}amino)propanal, 3C-like proteinase
著者Akaji, K, Teruya, K, Shimamoto, Y, Sanjho, A, Yamashita, E, Nakagawa, A.
登録日2015-06-21
公開日2016-06-22
最終更新日2020-01-29
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Fused-ring structure of N-decalin as a novel scaffold for SARS 3CL protease inhibitors
to be published
5C5N
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BU of 5c5n by Molmil
Structure of SARS-3CL protease complex with a phenyl-beta-alanyl (R,S)-N-decalin type inhibitor
分子名称: (2S)-3-(1H-imidazol-5-yl)-2-({[(3R,4aS,8aR)-2-(N-phenyl-beta-alanyl)decahydroisoquinolin-3-yl]methyl}amino)propanal, 3C-like proteinase
著者Akaji, K, Teruya, K, Shimamoto, Y, Sanjho, A, Yamashita, E, Nakagawa, A.
登録日2015-06-21
公開日2016-06-22
最終更新日2020-01-29
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Fused-ring structure of N-decalin as a novel scaffold for SARS 3CL protease inhibitors
to be published
7R8J
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BU of 7r8j by Molmil
Crystal structure of Pseudooceanicola lipolyticus Argonaute bound to 5' p guide DNA in the presence of Mg2+
分子名称: Argonaute, DNA (5'-D(*TP*TP*AP*CP*TP*GP*CP*AP*CP*AP*GP*GP*TP*GP*AP*CP*GP*A)-3')
著者Shin, Y, Murakami, K.S.
登録日2021-06-26
公開日2022-07-06
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Programmable RNA targeting by bacterial Argonaute nucleases with unconventional guide binding and cleavage specificity.
Nat Commun, 13, 2022
7R8F
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Crystal structure of Pseudooceanicola lipolyticus Argonaute
分子名称: Argonaute
著者Shin, Y, Murakami, K.S.
登録日2021-06-26
公開日2022-07-06
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (3.16 Å)
主引用文献Programmable RNA targeting by bacterial Argonaute nucleases with unconventional guide binding and cleavage specificity.
Nat Commun, 13, 2022
7R8K
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Crystal structure of Pseudooceanicola lipolyticus Argonaute (SeMet labeled protein)
分子名称: Argonaute
著者Shin, Y, Murakami, K.S.
登録日2021-06-26
公開日2022-07-06
最終更新日2022-12-28
実験手法X-RAY DIFFRACTION (3.28 Å)
主引用文献Programmable RNA targeting by bacterial Argonaute nucleases with unconventional guide binding and cleavage specificity.
Nat Commun, 13, 2022
7R8G
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BU of 7r8g by Molmil
Crystal structure of Pseudooceanicola lipolyticus Argonaute bound to 5' OH guide DNA
分子名称: Argonaute, DNA (5'-D(*TP*AP*CP*TP*GP*CP*AP*CP*AP*GP*GP*TP*GP*AP*CP*GP*A)-3')
著者Shin, Y, Murakami, K.S.
登録日2021-06-26
公開日2022-07-06
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Programmable RNA targeting by bacterial Argonaute nucleases with unconventional guide binding and cleavage specificity.
Nat Commun, 13, 2022
7R8H
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BU of 7r8h by Molmil
Crystal structure of Pseudooceanicola lipolyticus Argonaute bound to 5' p guide DNA
分子名称: Argonaute, DNA (5'-D(*TP*TP*AP*CP*TP*GP*CP*AP*CP*AP*GP*GP*TP*GP*AP*CP*GP*A)-3')
著者Shin, Y, Murakami, K.S.
登録日2021-06-26
公開日2022-07-06
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.54 Å)
主引用文献Programmable RNA targeting by bacterial Argonaute nucleases with unconventional guide binding and cleavage specificity.
Nat Commun, 13, 2022
7SZK
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BU of 7szk by Molmil
Cryo-EM structure of 27a bound to E. coli RNAP and rrnBP1 promoter complex
分子名称: (2S,7R,7aR,13aP,16Z,18E,20S,21S,22R,23R,24R,25S,26R,27S,28E)-5,21,23-trihydroxy-27-methoxy-2,4,16,20,22,24,26-heptamethyl-10-[4-(2-methylpropyl)piperazin-1-yl]-12-({4-[(morpholin-4-yl)methyl]phenyl}methoxy)-1,6,15-trioxo-1,2,7,7a-tetrahydro-6H-2,7-(epoxypentadeca[1,11,13]trienoimino)[1]benzofuro[4,5-a]phenoxazin-25-yl acetate, DNA (5'-D(P*CP*TP*CP*GP*TP*AP*GP*AP*GP*TP*CP*CP*GP*TP*GP*TP*CP*A)-3'), DNA-directed RNA polymerase subunit alpha, ...
著者Shin, Y, Murakami, K.S.
登録日2021-11-28
公開日2022-07-13
最終更新日2024-02-28
実験手法ELECTRON MICROSCOPY (2.94 Å)
主引用文献Optimization of Benzoxazinorifamycins to Improve Mycobacterium tuberculosis RNA Polymerase Inhibition and Treatment of Tuberculosis.
Acs Infect Dis., 8, 2022
7SZJ
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BU of 7szj by Molmil
Cryo-EM structure of Rifamycin bound to E. coli RNAP and rrnBP1 promoter complex
分子名称: DNA (49-MER), DNA (57-MER), DNA-directed RNA polymerase subunit alpha, ...
著者Shin, Y, Murakami, K.S.
登録日2021-11-28
公開日2022-07-13
最終更新日2024-02-28
実験手法ELECTRON MICROSCOPY (3.11 Å)
主引用文献Optimization of Benzoxazinorifamycins to Improve Mycobacterium tuberculosis RNA Polymerase Inhibition and Treatment of Tuberculosis.
Acs Infect Dis., 8, 2022
4NB9
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Oxygenase with Ile262 replaced by Val and ferredoxin complex of carbazole 1,9a-dioxygenase
分子名称: FE (II) ION, FE2/S2 (INORGANIC) CLUSTER, Ferredoxin CarAc, ...
著者Ashikawa, Y, Usami, Y, Inoue, K, Nojiri, H.
登録日2013-10-23
公開日2014-03-26
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structural basis of the divergent oxygenation reactions catalyzed by the rieske nonheme iron oxygenase carbazole 1,9a-dioxygenase.
Appl.Environ.Microbiol., 80, 2014

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