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PDB: 3278 件
1LWL
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BU of 1lwl by Molmil
Crystal Structure of Cytochrome P450-cam with a Fluorescent Probe D-8-Ad (Adamantane-1-carboxylic acid-5-dimethylamino-naphthalene-1-sulfonylamino-octyl-amide)
分子名称: ADAMANTANE-1-CARBOXYLIC ACID-5-DIMETHYLAMINO-NAPHTHALENE-1-SULFONYLAMINO-OCTYL-AMIDE, Cytochrome P450-cam, PROTOPORPHYRIN IX CONTAINING FE
著者Dunn, A.R, Hays, A.M, Goodin, D.B, Stout, C.D, Chiu, R, Winkler, J.R, Gray, H.B.
登録日2002-05-31
公開日2002-12-18
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Fluorescent probes for cytochrome P450 structural characterization and inhibitor screening
J.AM.CHEM.SOC., 124, 2002
5TXC
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BU of 5txc by Molmil
AtxE2 Isopeptidase - APO
分子名称: AtxE2
著者Chekan, J.R, Nair, S.K.
登録日2016-11-16
公開日2016-12-21
最終更新日2017-01-04
実験手法X-RAY DIFFRACTION (2.401 Å)
主引用文献Structure of the Lasso Peptide Isopeptidase Identifies a Topology for Processing Threaded Substrates.
J. Am. Chem. Soc., 138, 2016
8A7X
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BU of 8a7x by Molmil
NaK C-DI F92A mutant soaked in Cs+
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CESIUM ION, POTASSIUM ION, ...
著者Minniberger, S, Plested, A.J.R.
登録日2022-06-21
公開日2023-02-01
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Asymmetry and Ion Selectivity Properties of Bacterial Channel NaK Mutants Derived from Ionotropic Glutamate Receptors.
J.Mol.Biol., 435, 2023
5U5I
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BU of 5u5i by Molmil
The dimeric crystal structure of the selenomethionine derivative of HTPA Reductase from Sellaginella moellendorffii
分子名称: CALCIUM ION, HTPA Reductase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Keown, J.R, Goldstone, D.C, Pearce, F.G.
登録日2016-12-06
公開日2017-12-06
最終更新日2018-01-17
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Plant DHDPR forms a dimer with unique secondary structure features that preclude higher-order assembly.
Biochem. J., 475, 2018
6D3S
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BU of 6d3s by Molmil
Thermostabilized phosphorylated chicken CFTR
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Cystic fibrosis transmembrane conductance regulator
著者Fay, J.F, Riordan, J.R, Chen, Z.J.
登録日2018-04-16
公開日2018-10-17
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (6.6 Å)
主引用文献Cryo-EM Visualization of an Active High Open Probability CFTR Anion Channel.
Biochemistry, 57, 2018
8P1J
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BU of 8p1j by Molmil
Structure of hantaan orthohantavirus (HTNV) polymerase - Apo core
分子名称: RNA-directed RNA polymerase L
著者Keown, J.R, Carrique, L, Grimes, J.M.
登録日2023-05-12
公開日2024-05-22
実験手法ELECTRON MICROSCOPY (2.78 Å)
主引用文献Structure of hantaan orthohantavirus (HTNV) polymerase - Apo core
To Be Published
8P1M
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BU of 8p1m by Molmil
Structure of hantaan orthohantavirus (HTNV) polymerase bound to 5'vRNA and NTP Mg
分子名称: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, RNA (5'-R(P*AP*GP*UP*AP*G)-3'), ...
著者Keown, J.R, Carrique, L, Grimes, J.M.
登録日2023-05-12
公開日2024-05-22
実験手法ELECTRON MICROSCOPY (3.23 Å)
主引用文献Structure of hantaan orthohantavirus (HTNV) polymerase bound to 5'vRNA and NTP Mg
To Be Published
8P1K
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BU of 8p1k by Molmil
Structure of hantaan orthohantavirus (HTNV) polymerase - Apo core endonuclease
分子名称: RNA-directed RNA polymerase L
著者Keown, J.R, Carrique, L, Grimes, J.M.
登録日2023-05-12
公開日2024-05-22
実験手法ELECTRON MICROSCOPY (3.24 Å)
主引用文献Structure of hantaan orthohantavirus (HTNV) polymerase - Apo core endonuclease
To Be Published
8P1N
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BU of 8p1n by Molmil
Structure of hantaan orthohantavirus (HTNV) polymerase bound to 5'vRNA
分子名称: RNA (5'-R(P*AP*GP*UP*AP*G)-3'), RNA-directed RNA polymerase L
著者Keown, J.R, Carrique, L, Grimes, J.M.
登録日2023-05-12
公開日2024-05-22
実験手法ELECTRON MICROSCOPY (2.79 Å)
主引用文献Structure of hantaan orthohantavirus (HTNV) polymerase bound to 5'vRNA
To Be Published
8P1L
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BU of 8p1l by Molmil
Structure of hantaan orthohantavirus (HTNV) polymerase - Apo full length
分子名称: RNA-directed RNA polymerase L
著者Keown, J.R, Carrique, L, Grimes, J.M.
登録日2023-05-12
公開日2024-05-22
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structure of hantaan orthohantavirus (HTNV) polymerase - Apo full length
To Be Published
5T6A
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BU of 5t6a by Molmil
Crystal Structure of TgCDPK1 from toxoplasma gondii complexed with 5GA
分子名称: 4-(3-chloro-4-fluorophenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine, Calmodulin-domain protein kinase 1
著者Jiang, D.Q, Tempel, W, Loppnau, P, Walker, J.R, Graslund, S, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Hui, R, Lovato, D.V, Osman, K.T, Structural Genomics Consortium (SGC)
登録日2016-09-01
公開日2016-11-02
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Crystal Structure of TgCDPK1 from toxoplasma gondii complexed with SGC-1-9
to be published
5T6I
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BU of 5t6i by Molmil
CRYSTAL STRUCTURE OF TGCDPK1 FROM TOXOPLASMA GONDII COMPLEXED WITH 5GB
分子名称: 4-(3-methylphenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine, Calmodulin-domain protein kinase 1
著者Jiang, D.Q, Tempel, W, Walker, J.R, El Bakkouri, M, Loppnau, P, Graslund, S, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Hui, R, Lovato, D.V, Osman, K.T, Structural Genomics Consortium (SGC)
登録日2016-09-01
公開日2016-11-02
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Crystal Structure of CDPK1 from toxoplasma gondii complexed with SGC-1-19
to be published
5TBV
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BU of 5tbv by Molmil
Crystal Structure of Isoform 2 of Purine Nucleoside Phosphorylase complexed with tubercidin
分子名称: '2-(4-AMINO-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-HYDROXYMETHYL-TETRAHYDRO-FURAN-3,4-DIOL, DIMETHYL SULFOXIDE, Purine nucleoside phosphorylase, ...
著者Faheem, M, Torini, J.R, Romanello, L, Brandao-Neto, J, Pereira, H.M.
登録日2016-09-13
公開日2017-10-11
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystal Structure of Isoform 2 of Purine Nucleoside Phosphorylase
To Be Published
5NA0
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BU of 5na0 by Molmil
TTK kinase domain in complex with a PEG-linked pyrimido-indolizine
分子名称: Dual specificity protein kinase TTK, ~{N}-[3,5-diethyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrazol-4-yl]-2-[[2-methoxy-4-[4-(2-methoxyethanoyl)piperazin-1-yl]phenyl]amino]-5,6-dihydropyrimido[4,5-e]indolizine-7-carboxamide
著者Uitdehaag, J, Willemsen-Seegers, N, de Man, J, Buijsman, R.C, Zaman, G.J.R.
登録日2017-02-27
公開日2017-05-31
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Target Residence Time-Guided Optimization on TTK Kinase Results in Inhibitors with Potent Anti-Proliferative Activity.
J. Mol. Biol., 429, 2017
5TF8
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BU of 5tf8 by Molmil
Nucleotide-binding domain 1 of the human cystic fibrosis transmembrane conductance regulator (CFTR) with dTTP
分子名称: Cystic fibrosis transmembrane conductance regulator, MAGNESIUM ION, THYMIDINE-5'-TRIPHOSPHATE
著者Wang, C, Aleksandrov, A.A, Yang, Z, Forouhar, F, Proctor, E, Kota, P, An, J, Kaplan, A, Khazanov, N, Boel, G, Stockwell, B.R, Senderowitz, H, Dokholyan, N.V, Riordan, J.R, Brouillette, C.G, Hunt, J.F.
登録日2016-09-24
公開日2018-05-09
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.861 Å)
主引用文献Thermodynamic correction of F508del-CFTR by ligand binding to a remote site in the mutated domain
To Be Published
5TFJ
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BU of 5tfj by Molmil
Nucleotide-binding domain 1 of the human cystic fibrosis transmembrane conductance regulator (CFTR) with dCTP
分子名称: 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, Cystic fibrosis transmembrane conductance regulator, MAGNESIUM ION
著者Wang, C, Aleksandrov, A.A, Yang, Z, Forouhar, F, Proctor, E, Kota, P, An, J, Kaplan, A, Khazanov, N, Boel, G, Stockwell, B.R, Senderowitz, H, Dokholyan, N.V, Riordan, J.R, Brouillette, C.G, Hunt, J.F.
登録日2016-09-25
公開日2018-05-09
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Thermodynamic correction of F508del-CFTR by ligand binding to a remote site in the mutated domain
To Be Published
5T7F
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BU of 5t7f by Molmil
PI3Kdelta in complex with the inhibitor GS-643624
分子名称: 2,4-bis(azanyl)-6-[[(1~{S})-1-[5-chloranyl-3-(5-fluoranyl-4-methyl-pyridin-3-yl)-4-oxidanylidene-quinazolin-2-yl]ethyl]amino]pyrimidine-5-carbonitrile, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
著者Somoza, J.R, Villasenor, A.
登録日2016-09-04
公開日2016-12-28
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献The Discovery of GS-9901: A Potent, Selective and Metabolically Stable Inhibitor of PI3Kd
To Be Published
7ZPZ
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BU of 7zpz by Molmil
Crystal structure of Pizza6-TSR-TSH with Silicotungstic Acid (STA) polyoxometalate
分子名称: Keggin (STA), Pizza6-TSR-TSH
著者Wouters, S.M.L, Kamata, K, Takahashi, K, Vandebroek, L, Parac-Vogt, T.N, Tame, J.R.H, Voet, A.R.D.
登録日2022-04-29
公開日2023-05-10
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Mutational study of a symmetry matched protein-polyoxometalate interface
To be published
6D3R
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BU of 6d3r by Molmil
Thermostablilized dephosphorylated chicken CFTR
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Cystic fibrosis transmembrane conductance regulator
著者Fay, J.F, Riordan, J.R.
登録日2018-04-16
公開日2018-10-17
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (4.3 Å)
主引用文献Cryo-EM Visualization of an Active High Open Probability CFTR Anion Channel.
Biochemistry, 57, 2018
5ULC
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BU of 5ulc by Molmil
PLASMODIUM FALCIPARUM BROMODOMAIN-CONTAINING PROTEIN PF10_0328
分子名称: Bromodomain protein 1
著者Wernimont, A.K, Amaya, M.F, Lam, A, Ali, A, Zhang, A.Z, Kenzina, L, Lin, Y.H, MacKenzie, F, Kozieradzki, I, Cossar, D, Schapira, M, Bochkarev, A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Weigelt, J, Hui, R, Walker, J.R, Qiu, W, Brand, V, Structural Genomics Consortium (SGC)
登録日2017-01-24
公開日2017-02-22
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献PLASMODIUM FALCIPARUM BROMODOMAIN-CONTAINING PROTEIN PF10_0328
To be published
7ZQ2
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BU of 7zq2 by Molmil
Crystal structure of Pizza6-RSH-TSH with Silicotungstic Acid (STA) polyoxometalate
分子名称: Keggin (STA), Pizza6-RSH-TSH
著者Wouters, S.M.L, Kamata, K, Takahashi, K, Vandebroek, L, Parac-Vogt, T.N, Tame, J.R.H, Voet, A.R.D.
登録日2022-04-29
公開日2023-05-10
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Mutational study of a symmetry matched protein-polyoxometalate interface
To be published
4P16
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BU of 4p16 by Molmil
Crystal structure of the papain-like protease of Middle-East Respiratory Syndrome coronavirus
分子名称: ORF1a, ZINC ION
著者Lei, J, Mesters, J.R, Ma, Q, Hilgenfeld, R.
登録日2014-02-25
公開日2014-05-07
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of the papain-like protease of MERS coronavirus reveals unusual, potentially druggable active-site features.
Antiviral Res., 109C, 2014
7ZQG
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BU of 7zqg by Molmil
Crystal structure of Pizza6-KSH-TSH with Silicotungstic Acid (STA) polyoxometalate
分子名称: Keggin (STA), Pizza6-KSH-TSH
著者Wouters, S.M.L, Kamata, K, Takahashi, K, Vandebroek, L, Parac-Vogt, T.N, Tame, J.R.H, Voet, A.R.D.
登録日2022-04-29
公開日2023-05-10
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Mutational study of a symmetry matched protein-polyoxometalate interface
To be published
5Z01
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BU of 5z01 by Molmil
Native Escherichia coli L,D-carboxypeptidase A (LdcA)
分子名称: MAGNESIUM ION, Murein tetrapeptide carboxypeptidase
著者Meyer, K, Tame, J.R.H.
登録日2017-12-18
公開日2018-04-25
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献The crystal structure and oligomeric form of Escherichia colil,d-carboxypeptidase A.
Biochem. Biophys. Res. Commun., 499, 2018
5UMU
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BU of 5umu by Molmil
Crystal structure of the middle double PH domain of human FACT complex subunit SPT16
分子名称: ACETATE ION, FACT complex subunit SPT16, FORMIC ACID
著者Hu, Q, Thompson, J.R, Heroux, A, Su, D, Botuyan, M.V, Mer, G.
登録日2017-01-29
公開日2018-01-31
最終更新日2019-12-04
実験手法X-RAY DIFFRACTION (1.903 Å)
主引用文献Crystal structure of the middle double PH domain of human FACT complex subunit SPT16
To Be Published

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件を2024-07-31に公開中

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