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PDB: 34568 件

7N5G
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BU of 7n5g by Molmil
Structure of Mechanosensitive Ion Channel Flycatcher1 Protomer in 'Up' conformation in GDN
分子名称: Mechanosensitive ion channel Flycatcher1, PALMITIC ACID
著者Jojoa-Cruz, S, Saotome, K, Lee, W.H, Patapoutian, A, Ward, A.B.
登録日2021-06-05
公開日2022-02-16
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (2.4 Å)
主引用文献Structural insights into the Venus flytrap mechanosensitive ion channel Flycatcher1.
Nat Commun, 13, 2022
6YAA
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Structure of the (SR) Ca2+-ATPase bound to the inhibitor compound CAD204520 and TNP-ATP
分子名称: 4-[2-[(2~{R})-2-[3-propyl-6-(trifluoromethyloxy)-1~{H}-indol-2-yl]piperidin-1-yl]ethyl]morpholine, POTASSIUM ION, SPIRO(2,4,6-TRINITROBENZENE[1,2A]-2O',3O'-METHYLENE-ADENINE-TRIPHOSPHATE, ...
著者Heit, S, Marchesini, M, Gherli, A, Montanaro, A, Patrizi, L, Sorrentino, C, Pagliaro, L, Rompietti, C, Kitara, S, Olesen, C.E, Moller, J.V, Savi, M, Bocchi, L, Vilella, R, Rizzi, F, Baglione, M, Rastelli, G, Loiacona, C, La Starza, R, Mecucci, C, Stegmair, K, Aversa, F, Stilli, D, Lund Winther, A.M, Sportoletti, P, Dalby-Brown, W, Roti, G, Bublitz, M.
登録日2020-03-11
公開日2020-05-20
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Blockade of Oncogenic NOTCH1 with the SERCA Inhibitor CAD204520 in T Cell Acute Lymphoblastic Leukemia.
Cell Chem Biol, 27, 2020
7N5E
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BU of 7n5e by Molmil
Structure of Mechanosensitive Ion Channel Flycatcher1 in GDN
分子名称: Mechanosensitive ion channel Flycatcher1, PALMITIC ACID
著者Jojoa-Cruz, S, Saotome, K, Lee, W.H, Patapoutian, A, Ward, A.B.
登録日2021-06-05
公開日2022-02-16
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Structural insights into the Venus flytrap mechanosensitive ion channel Flycatcher1.
Nat Commun, 13, 2022
8HPC
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BU of 8hpc by Molmil
Crystal structure of C171A Mutant of N-carbamyl-D-amino acid amidohydrolase complexed with N-carbamyl-D-Hydroxyphenylglycine
分子名称: (2~{R})-2-(aminocarbonylamino)-2-(4-hydroxyphenyl)ethanoic acid, N-carbamoyl-D-amino acid hydrolase
著者Zhang, L.D, Song, W.
登録日2022-12-12
公開日2023-12-20
実験手法X-RAY DIFFRACTION (2.52 Å)
主引用文献Production of D-p-hydroxyphenylglycine by double-enzyme cascade
To Be Published
7NGJ
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BU of 7ngj by Molmil
Mycobacterium tuberculosis transcriptional regulator EthR with bound inhibitory compound
分子名称: 4-methyl-~{N}-(phenylmethyl)piperidine-1-carboxamide, HTH-type transcriptional regulator EthR
著者Tomlinson, C.W.E, Tatum, N.J, Pohl, E.
登録日2021-02-09
公開日2022-02-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Systematic exploration of the hydrophobic capacity of the EthR binding site for lead compound optimization
To Be Published
7NGO
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BU of 7ngo by Molmil
Mycobacterium tuberculosis transcriptional regulator EthR with bound inhibitory compound
分子名称: HTH-type transcriptional regulator EthR, ~{N}-(furan-2-ylmethyl)-4-methyl-piperidine-1-carboxamide
著者Tomlinson, C.W.E, Tatum, N.J, Pohl, E.
登録日2021-02-09
公開日2022-02-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献Systematic exploration of the hydrophobic capacity of the EthR binding site for lead compound optimization
To Be Published
7NGD
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BU of 7ngd by Molmil
Mycobacterium tuberculosis transcriptional regulator EthR with bound inhibitory compound
分子名称: 4-methyl-~{N}-(4-phenylbutyl)piperidine-1-carboxamide, HTH-type transcriptional regulator EthR
著者Tomlinson, C.W.E, Tatum, N.J, Pohl, E.
登録日2021-02-09
公開日2022-02-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Systematic exploration of the hydrophobic capacity of the EthR binding site for lead compound optimization
To Be Published
7N3L
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BU of 7n3l by Molmil
Co-complex CYP46A1 with 0420 (compound 6)
分子名称: 1,2-ETHANEDIOL, Cholesterol 24-hydroxylase, GLYCEROL, ...
著者Lane, W, Yano, J.
登録日2021-06-01
公開日2022-02-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.631 Å)
主引用文献Discovery of Novel 3-Piperidinyl Pyridine Derivatives as Highly Potent and Selective Cholesterol 24-Hydroxylase (CH24H) Inhibitors.
J.Med.Chem., 65, 2022
7N3M
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BU of 7n3m by Molmil
Co-complex CYP46A1 with 0431 (compound 17)
分子名称: Cholesterol 24-hydroxylase, N,N-dimethyl-1-[4-(4-methyl-1H-pyrazol-1-yl)pyridin-3-yl]piperidine-4-carboxamide, PROTOPORPHYRIN IX CONTAINING FE
著者Lane, W, Yano, J.
登録日2021-06-01
公開日2022-02-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.698 Å)
主引用文献Discovery of Novel 3-Piperidinyl Pyridine Derivatives as Highly Potent and Selective Cholesterol 24-Hydroxylase (CH24H) Inhibitors.
J.Med.Chem., 65, 2022
7NGR
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BU of 7ngr by Molmil
Mycobacterium tuberculosis transcriptional regulator EthR with bound inhibitory compound
分子名称: 4-methyl-~{N}-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide, HTH-type transcriptional regulator EthR
著者Tomlinson, C.W.E, Tatum, N.J, Pohl, E.
登録日2021-02-09
公開日2022-02-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Systematic exploration of the hydrophobic capacity of the EthR binding site for lead compound optimization
To Be Published
7NGS
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BU of 7ngs by Molmil
Mycobacterium tuberculosis transcriptional regulator EthR with bound inhibitory compound
分子名称: 4-methyl-~{N}-pentyl-piperidine-1-carboxamide, HTH-type transcriptional regulator EthR
著者Tomlinson, C.W.E, Tatum, N.J, Pohl, E.
登録日2021-02-09
公開日2022-02-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Systematic exploration of the hydrophobic capacity of the EthR binding site for lead compound optimization
To Be Published
7NGX
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BU of 7ngx by Molmil
Mycobacterium tuberculosis transcriptional regulator EthR with bound inhibitory compound
分子名称: 4-methyl-~{N}-undecyl-pyridine-1-carboxamide, HTH-type transcriptional regulator EthR
著者Tomlinson, C.W.E, Tatum, N.J, Pohl, E.
登録日2021-02-09
公開日2022-02-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献Systematic exploration of the hydrophobic capacity of the EthR binding site for lead compound optimization
To Be Published
7NGK
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BU of 7ngk by Molmil
Mycobacterium tuberculosis transcriptional regulator EthR with bound inhibitory compound
分子名称: HTH-type transcriptional regulator EthR, SULFATE ION, ~{N}-cyclohexyl-4-methyl-piperidine-1-carboxamide
著者Tomlinson, C.W.E, Tatum, N.J, Pohl, E.
登録日2021-02-09
公開日2022-02-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Systematic exploration of the hydrophobic capacity of the EthR binding site for lead compound optimization
To Be Published
1RZ0
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BU of 1rz0 by Molmil
Flavin reductase PheA2 in native state
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, phenol 2-hydroxylase component B
著者van den Heuvel, R.H, Westphal, A.H, Heck, A.J, Walsh, M.A, Rovida, S, van Berkel, W.J, Mattevi, A.
登録日2003-12-23
公開日2004-04-06
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural Studies on Flavin Reductase PheA2 Reveal Binding of NAD in an Unusual Folded Conformation and Support Novel Mechanism of Action.
J.Biol.Chem., 279, 2004
2M7B
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BU of 2m7b by Molmil
ORF PP_3909 from Pseudomonas putida KT2440 encoding a protein similar to bacteriophage lambda ea8.5
分子名称: ZINC ION, uncharacterized protein
著者Donaldson, L.W.F.
登録日2013-04-18
公開日2013-06-12
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献The Solution Structures of Two Prophage Homologues of the Bacteriophage lambda Ea8.5 Protein Reveal a Newly Discovered Hybrid Homeodomain/Zinc-Finger Fold.
Biochemistry, 52, 2013
7NGT
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BU of 7ngt by Molmil
Mycobacterium tuberculosis transcriptional regulator EthR with bound inhibitory compound
分子名称: HTH-type transcriptional regulator EthR, SULFATE ION, ~{N}-butyl-4-methyl-piperidine-1-carboxamide
著者Tomlinson, C.W.E, Tatum, N.J, Pohl, E.
登録日2021-02-09
公開日2022-02-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Systematic exploration of the hydrophobic capacity of the EthR binding site for lead compound optimization
To Be Published
7NGN
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BU of 7ngn by Molmil
Mycobacterium tuberculosis transcriptional regulator EthR with bound inhibitory compound
分子名称: HTH-type transcriptional regulator EthR, SULFATE ION, ~{N}-cycloheptyl-4-methyl-piperidine-1-carboxamide
著者Tomlinson, C.W.E, Tatum, N.J, Pohl, E.
登録日2021-02-09
公開日2022-02-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Systematic exploration of the hydrophobic capacity of the EthR binding site for lead compound optimization
To Be Published
1RZO
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BU of 1rzo by Molmil
Agglutinin from Ricinus communis with galactoaza
分子名称: Agglutinin, SULFATE ION, beta-D-galactopyranose
著者Gabdoulkhakov, A.G, Savochkina, Y, Konareva, N, Krauspenhaar, R, Stoeva, S, Nikonov, S.V, Voelter, W, Betzel, C, Mikhailov, A.M.
登録日2003-12-26
公開日2004-12-28
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.63 Å)
主引用文献Structure-function investigation complex of Agglutinin from Ricinus communis with galactoaza
To be Published
7NGU
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BU of 7ngu by Molmil
Mycobacterium tuberculosis transcriptional regulator EthR with bound inhibitory compound
分子名称: HTH-type transcriptional regulator EthR, SULFATE ION, ~{N}-(4-methoxyphenyl)-4-methyl-piperidine-1-carboxamide
著者Tomlinson, C.W.E, Tatum, N.J, Pohl, E.
登録日2021-02-09
公開日2022-02-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.26 Å)
主引用文献Systematic exploration of the hydrophobic capacity of the EthR binding site for lead compound optimization
To Be Published
4LRL
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BU of 4lrl by Molmil
Structure of an Enterococcus Faecalis HD-domain protein complexed with dGTP and dTTP
分子名称: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, HD domain protein, ...
著者Vorontsov, I.I, Minasov, G, Shuvalova, L, Joachimiak, A, Anderson, W.F, Midwest Center for Structural Genomics (MCSG)
登録日2013-07-19
公開日2013-11-20
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Mechanisms of Allosteric Activation and Inhibition of the Deoxyribonucleoside Triphosphate Triphosphohydrolase from Enterococcus faecalis.
J.Biol.Chem., 289, 2014
1S5E
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BU of 1s5e by Molmil
Cholera holotoxin, Crystal form 1
分子名称: Cholera enterotoxin, A chain precursor, SODIUM ION, ...
著者O'Neal, C.J, Amaya, E.I, Jobling, M.G, Holmes, R.K, Hol, W.G.
登録日2004-01-20
公開日2004-04-06
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structures of an intrinsically active cholera toxin mutant yield insight into the toxin activation mechanism
Biochemistry, 43, 2004
7NGG
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BU of 7ngg by Molmil
Mycobacterium tuberculosis transcriptional regulator EthR with bound inhibitory compound
分子名称: HTH-type transcriptional regulator EthR, ~{N}-(4-chlorophenyl)-4-methyl-piperidine-1-carboxamide
著者Tomlinson, C.W.E, Tatum, N.J, Pohl, E.
登録日2021-02-09
公開日2022-02-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.17 Å)
主引用文献Systematic exploration of the hydrophobic capacity of the EthR binding site for lead compound optimization
To Be Published
1S0M
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BU of 1s0m by Molmil
Crystal structure of a Benzo[a]pyrene Diol Epoxide adduct in a ternary complex with a DNA polymerase
分子名称: 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE, 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 5'-D(*GP*GP*GP*GP*GP*AP*AP*GP*GP*AP*TP*TP*T)-3', ...
著者Ling, H, Sayer, J.M, Boudsocq, F, Plosky, B.S, Woodgate, R, Yang, W.
登録日2003-12-31
公開日2004-03-30
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structure of a benzo[a]pyrene diol epoxide adduct in a ternary complex with a DNA polymerase.
Proc.Natl.Acad.Sci.USA, 101, 2004
7NGM
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Mycobacterium tuberculosis transcriptional regulator EthR with bound inhibitory compound
分子名称: 4-methyl-~{N}-[(1~{R})-1-phenylethyl]piperidine-1-carboxamide, HTH-type transcriptional regulator EthR
著者Tomlinson, C.W.E, Tatum, N.J, Pohl, E.
登録日2021-02-09
公開日2022-02-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Systematic exploration of the hydrophobic capacity of the EthR binding site for lead compound optimization
To Be Published
6Y6D
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Tubulin-7-Aminonoscapine complex
分子名称: (3~{S})-7-azanyl-6-methoxy-3-[(5~{R})-4-methoxy-6-methyl-7,8-dihydro-5~{H}-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3~{H}-2-benzofuran-1-one, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
著者Oliva, M.A, Prota, A.E, Rodriguez-Salarichs, J, Gu, W, Bennani, Y.L, Jimenez-Barbero, J, Canales, A, Steinmetz, M.O, Diaz, J.F.
登録日2020-02-26
公開日2020-07-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural Basis of Noscapine Activation for Tubulin Binding.
J.Med.Chem., 63, 2020

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件を2024-08-21に公開中

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