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3JAO
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Ciliary microtubule doublet
分子名称: GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER, ...
著者Maheshwari, A, Obbineni, J.M, Bui, K.H, Shibata, K, Toyoshima, Y.Y, Ishikawa, T.
登録日2015-06-18
公開日2015-08-05
最終更新日2024-02-21
実験手法ELECTRON MICROSCOPY (23 Å)
主引用文献alpha- and beta-Tubulin Lattice of the Axonemal Microtubule Doublet and Binding Proteins Revealed by Single Particle Cryo-Electron Microscopy and Tomography.
Structure, 23, 2015
8DOC
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BU of 8doc by Molmil
Crystal structure of RPE65 in complex with compound 16e and palmitate
分子名称: (1R)-1-[3-(cyclohexylmethoxy)phenyl]-3-(methylamino)propan-1-ol, 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, FE (II) ION, ...
著者Bassetto, M, Kiser, P.D.
登録日2022-07-12
公開日2023-05-24
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Tuning the Metabolic Stability of Visual Cycle Modulators through Modification of an RPE65 Recognition Motif.
J.Med.Chem., 66, 2023
2KHO
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BU of 2kho by Molmil
NMR-RDC / XRAY structure of E. coli HSP70 (DNAK) chaperone (1-605) complexed with ADP and substrate
分子名称: Heat shock protein 70
著者Zuiderweg, E.R.P, Bertelsen, E.B.
登録日2009-04-10
公開日2009-05-12
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Solution conformation of wild-type E. coli Hsp70 (DnaK) chaperone complexed with ADP and substrate.
Proc.Natl.Acad.Sci.USA, 106, 2009
3JX3
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BU of 3jx3 by Molmil
Structure of rat neuronal nitric oxide synthase D597N/M336V mutant heme domain in complex with N1-{(3'R,4'R)-4'-[(6"-amino-4"-methylpyridin-2"-yl)methyl]pyrrolidin-3'-yl}-N2-(3'-fluorophenethyl)ethane-1,2-diamine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, N-{(3R,4R)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-N'-[2-(3-fluorophenyl)ethyl]ethane-1,2-diamine, ...
著者Delker, S.L, Li, H, Poulos, T.L.
登録日2009-09-18
公開日2010-05-05
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Unexpected binding modes of nitric oxide synthase inhibitors effective in the prevention of a cerebral palsy phenotype in an animal model.
J.Am.Chem.Soc., 132, 2010
7LGV
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BU of 7lgv by Molmil
NMR structure of Beta-KTx14.3
分子名称: Neurotoxin beta-KTx 14.3
著者Carranza-Gonzalez, L.E, Titaux-Delgado, G.A, del Rio-Portilla, J.F.
登録日2021-01-21
公開日2022-02-09
最終更新日2023-08-23
実験手法SOLUTION NMR
主引用文献Beta-KTx14.3, a scorpion toxin, blocks the human potassium channel KCNQ1.
Biochim Biophys Acta Proteins Proteom, 1871, 2023
4RA4
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BU of 4ra4 by Molmil
Crystal Structure of Human Protein Kinase C Alpha in Complex with Compound 28 ((R)-6-((3S,4S)-1,3-Dimethyl-piperidin-4-yl)-7-(2-fluoro-phenyl)-4-methyl-2,10-dihydro-9-oxa-1,2,4a-triaza-phenanthren-3-one)
分子名称: (1R)-9-[(3S,4S)-1,3-dimethylpiperidin-4-yl]-8-(2-fluorophenyl)-1-methyl-3,5-dihydro[1,2,4]triazino[3,4-c][1,4]benzoxazin-2(1H)-one, Protein kinase C
著者Argiriadi, M.A, George, D.M.
登録日2014-09-09
公開日2014-10-08
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.63 Å)
主引用文献Optimized Protein Kinase C theta (PKC theta ) Inhibitors Reveal Only Modest Anti-inflammatory Efficacy in a Rodent Model of Arthritis.
J.Med.Chem., 58, 2015
8K1U
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BU of 8k1u by Molmil
Potassium transporter KtrAB from Bacillus subtilis in ATP-bound state with addition of EDTA and EGTA
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Ktr system potassium uptake protein A, Ktr system potassium uptake protein B, ...
著者Chang, Y.K, Chiang, W.T, Hu, N.J, Tsai, M.D.
登録日2023-07-11
公開日2024-04-03
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (2.82 Å)
主引用文献Structural basis and synergism of ATP and Na + activation in bacterial K + uptake system KtrAB.
Nat Commun, 15, 2024
8K1S
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BU of 8k1s by Molmil
Potassium transporter KtrAB from Bacillus subtilis in ADP-bound state
分子名称: ADENOSINE-5'-DIPHOSPHATE, Ktr system potassium uptake protein A, Ktr system potassium uptake protein B, ...
著者Chang, Y.K, Chiang, W.T, Hu, N.J, Tsai, M.D.
登録日2023-07-11
公開日2024-04-03
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (2.83 Å)
主引用文献Structural basis and synergism of ATP and Na + activation in bacterial K + uptake system KtrAB.
Nat Commun, 15, 2024
4REE
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BU of 4ree by Molmil
Crystal Structure of TR3 LBD in complex with Molecule 6
分子名称: 1-(2,3,4-trihydroxyphenyl)nonan-1-one, GLYCEROL, Nuclear receptor subfamily 4 group A member 1
著者Li, F.W, Cai, Q.X, Li, A.Z, Tian, X.Y, Wang, W.J, Yuan, W, Hou, P.P, Wu, Q, Lin, T.W.
登録日2014-09-22
公開日2015-09-09
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献Induction of Autophagic Death in Cancer Cells by Agonizing TR3 and Attenuating Akt2 Activity
Chem.Biol., 22, 2015
1XLX
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BU of 1xlx by Molmil
Catalytic Domain Of Human Phosphodiesterase 4B In Complex With Cilomilast
分子名称: CILOMILAST, MAGNESIUM ION, ZINC ION, ...
著者Card, G.L, England, B.P, Suzuki, Y, Fong, D, Powell, B, Lee, B, Luu, C, Tabrizizad, M, Gillette, S, Ibrahim, P.N, Artis, D.R, Bollag, G, Milburn, M.V, Kim, S.-H, Schlessinger, J, Zhang, K.Y.J.
登録日2004-09-30
公開日2004-12-14
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Structural Basis for the Activity of Drugs that Inhibit Phosphodiesterases.
Structure, 12, 2004
6NYY
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BU of 6nyy by Molmil
human m-AAA protease AFG3L2, substrate-bound
分子名称: ADENOSINE-5'-DIPHOSPHATE, AFG3-like protein 2, MAGNESIUM ION, ...
著者Lander, G.C, Puchades, C.
登録日2019-02-12
公開日2019-05-22
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Unique Structural Features of the Mitochondrial AAA+ Protease AFG3L2 Reveal the Molecular Basis for Activity in Health and Disease.
Mol.Cell, 75, 2019
4RER
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BU of 4rer by Molmil
Crystal structure of the phosphorylated human alpha1 beta2 gamma1 holo-AMPK complex bound to AMP and cyclodextrin
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5'-AMP-activated protein kinase catalytic subunit alpha-1, 5'-AMP-activated protein kinase subunit beta-2, ...
著者Zhou, X.E, Ke, J, Li, X, Wang, L, Gu, X, de Waal, P.W, Tan, M.H.E, Wang, D, Wu, D, Xu, H.E, Melcher, K.
登録日2014-09-23
公開日2014-12-10
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (4.047 Å)
主引用文献Structural basis of AMPK regulation by adenine nucleotides and glycogen.
Cell Res., 25, 2015
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
6NPU
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BU of 6npu by Molmil
C-abl Kinase domain with the activator(cmpd29), N-(1-(3,4-dichlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl)acetamide
分子名称: 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, GLYCEROL, NONAETHYLENE GLYCOL, ...
著者Campobasso, N.
登録日2019-01-18
公開日2019-03-13
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献Identification and Optimization of Novel Small c-Abl Kinase Activators Using Fragment and HTS Methodologies.
J. Med. Chem., 62, 2019
6CRU
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BU of 6cru by Molmil
CryoEM structure of human enterovirus D68 emptied particle (pH 7.2 and 4 degrees Celsius)
分子名称: viral protein 1, viral protein 2, viral protein 3
著者Liu, Y, Rossmann, M.G.
登録日2018-03-19
公開日2018-12-19
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (3.32 Å)
主引用文献Molecular basis for the acid-initiated uncoating of human enterovirus D68.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
3N45
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BU of 3n45 by Molmil
Human FPPS complex with FBS_04 and zoledronic acid/MG2+
分子名称: (2S)-1-[(benzyloxy)carbonyl]-2,3-dihydro-1H-indole-2-carboxylic acid, FARNESYL PYROPHOSPHATE SYNTHASE, MAGNESIUM ION, ...
著者Rondeau, J.-M.
登録日2010-05-21
公開日2010-08-18
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Allosteric non-bisphosphonate FPPS inhibitors identified by fragment-based discovery.
Nat.Chem.Biol., 6, 2010
6CS4
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BU of 6cs4 by Molmil
CryoEM structure of human enterovirus D68 A-particle (pH 5.5 and 33 degrees Celsius)
分子名称: viral protein 1, viral protein 2, viral protein 3
著者Liu, Y, Rossmann, M.G.
登録日2018-03-19
公開日2018-12-19
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (2.73 Å)
主引用文献Molecular basis for the acid-initiated uncoating of human enterovirus D68.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6O0H
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BU of 6o0h by Molmil
Cryo-EM structure of human ATP-citrate lyase in complex with inhibitor NDI-091143
分子名称: ADENOSINE-5'-DIPHOSPHATE, ATP-citrate synthase, methyl 3-chloro-5-[(4,6-difluoro[1,1'-biphenyl]-3-yl)sulfamoyl]-4-hydroxybenzoate
著者Wei, J, Tong, L.
登録日2019-02-16
公開日2019-04-17
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3.67 Å)
主引用文献An allosteric mechanism for potent inhibition of human ATP-citrate lyase.
Nature, 568, 2019
6CS6
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BU of 6cs6 by Molmil
CryoEM structure of human enterovirus D68 A-particle (pH 5.5 and room temperature)
分子名称: viral protein 1, viral protein 2, viral protein 3
著者Liu, Y, Rossmann, M.G.
登録日2018-03-19
公開日2018-12-19
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (3.25 Å)
主引用文献Molecular basis for the acid-initiated uncoating of human enterovirus D68.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
3N5H
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BU of 3n5h by Molmil
Human fpps complex with NOV_304
分子名称: 3-(carboxymethyl)-4,7-dichloro-1H-indole-2-carboxylic acid, FARNESYL PYROPHOSPHATE SYNTHASE, PHOSPHATE ION
著者Rondeau, J.-M.
登録日2010-05-25
公開日2010-08-18
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Allosteric non-bisphosphonate FPPS inhibitors identified by fragment-based discovery.
Nat.Chem.Biol., 6, 2010
1XDN
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BU of 1xdn by Molmil
High resolution crystal structure of an editosome enzyme from trypanosoma brucei: RNA editing ligase 1
分子名称: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, RNA editing ligase MP52
著者Deng, J, Schnaufer, A, Salavati, R, Stuart, K.D, Hol, W.G.
登録日2004-09-07
公開日2004-12-07
最終更新日2014-09-10
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献High resolution crystal structure of a key editosome enzyme from Trypanosoma brucei: RNA editing ligase 1.
J.Mol.Biol., 343, 2004
3N6K
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BU of 3n6k by Molmil
Human FPPS complex with NOV_823
分子名称: 1-(carboxymethyl)-1H-benzo[g]indole-2-carboxylic acid, FARNESYL PYROPHOSPHATE SYNTHASE, PHOSPHATE ION
著者Rondeau, J.-M.
登録日2010-05-26
公開日2010-08-18
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Allosteric non-bisphosphonate FPPS inhibitors identified by fragment-based discovery.
Nat.Chem.Biol., 6, 2010
6O2Z
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BU of 6o2z by Molmil
Crystal structure of IDH1 R132H mutant in complex with compound 32
分子名称: 6-{[(6-chloro-2-oxo-1,2-dihydroquinolin-3-yl)methyl]amino}-2-methylpyridine-3-carbonitrile, GLYCEROL, Isocitrate dehydrogenase [NADP] cytoplasmic, ...
著者Toms, A.V, Lin, J.
登録日2019-02-25
公開日2019-06-26
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Discovery and Optimization of Quinolinone Derivatives as Potent, Selective, and Orally Bioavailable Mutant Isocitrate Dehydrogenase 1 (mIDH1) Inhibitors.
J.Med.Chem., 62, 2019
6NV9
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BU of 6nv9 by Molmil
BACE1 in complex with a macrocyclic inhibitor
分子名称: (3S)-3-hydroxy-N-(2-methylpropyl)-N~2~-{[(4S)-17-[(methylsulfonyl)(propyl)amino]-2-oxo-3-azatricyclo[13.3.1.1~6,10~]icosa-1(19),6(20),7,9,15,17-hexaen-4-yl]methyl}-L-norleucinamide, Beta-secretase 1, SULFATE ION
著者Yen, Y.C, Ghosh, A.K, Mesecar, A.D.
登録日2019-02-04
公開日2019-10-09
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献Development of an Efficient Enzyme Production and Structure-Based Discovery Platform for BACE1 Inhibitors.
Biochemistry, 58, 2019
3JX0
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BU of 3jx0 by Molmil
Structure of rat neuronal nitric oxide synthase D597N mutant heme domain in complex with N1-{(3'S,4'S)-4'-[(6"-amino-4"-methylpyridin-2"-yl)methyl]pyrrolidin-3'-yl}-N2-(3'-fluorophenethyl)ethane-1,2-diamine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, GLYCEROL, ...
著者Delker, S.L, Li, H, Poulos, T.L.
登録日2009-09-18
公開日2010-05-05
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Unexpected binding modes of nitric oxide synthase inhibitors effective in the prevention of a cerebral palsy phenotype in an animal model.
J.Am.Chem.Soc., 132, 2010

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