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PDB: 42622 件

4V94
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Molecular architecture of the eukaryotic chaperonin TRiC/CCT derived by a combination of chemical crosslinking and mass-spectrometry, XL-MS
分子名称: ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, MAGNESIUM ION, ...
著者Leitner, A, Joachimiak, L.A, Bracher, A, Walzthoeni, T, Chen, B, Monkemeyer, L, Pechmann, S, Holmes, S, Cong, Y, Ma, B, Ludtke, S, Chiu, W, Hartl, F.U, Aebersold, R, Frydman, J.
登録日2012-01-11
公開日2014-07-09
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.8 Å)
主引用文献The Molecular Architecture of the Eukaryotic Chaperonin TRiC/CCT.
Structure, 20, 2012
6LIO
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Crystal structure of human PDK2 complexed with GM67520
分子名称: 4-[[[5-[5-chloranyl-2,4-bis(oxidanyl)phenyl]-4-[4-(1-methylsulfonylpiperidin-4-yl)oxyphenyl]-1,2-oxazol-3-yl]carbonylamino]methyl]cyclohexane-1-carboxylic acid, GLYCEROL, SULFATE ION, ...
著者Kang, J, Kim, J.
登録日2019-12-12
公開日2020-09-30
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Structural basis for the inhibition of PDK2 by novel ATP- and lipoyl-binding site targeting compounds.
Biochem.Biophys.Res.Commun., 527, 2020
6KYL
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Crystal Structure of Phosphatidic acid Transporter Ups1/Mdm35 in Complex with (2R)-3-(phosphonooxy)propane-1,2-diyl dihexanoate
分子名称: (2R)-3-(phosphonooxy)propane-1,2-diyl dihexanoate, Mitochondrial distribution and morphology protein 35, Protein UPS1, ...
著者Lu, J, Chan, K.C, Zhai, Y, Fan, J, Sun, F.
登録日2019-09-19
公開日2019-10-02
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.55 Å)
主引用文献Molecular mechanism of mitochondrial phosphatidate transfer by Ups1.
Commun Biol, 3, 2020
2G9N
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Structure of the DEAD domain of Human eukaryotic initiation factor 4A, eIF4A
分子名称: Eukaryotic initiation factor 4A-I
著者Hogbom, M, Ogg, D, Arrowsmith, C, Berglund, H, Collins, R, Edwards, A, Ehn, M, Flodin, S, Flores, A, Graslund, S, Hallberg, B.M, Hammarstrom, M, Kotenyova, T, Nilsson-Ehle, P, Nordlund, P, Nyman, T, Persson, C, Sagemark, J, Stenmark, P, Sundstrom, M, Thorsell, A.G, Uppenberg, J, Van Den Berg, S, Weigelt, J, Holmberg-Schiavone, L, Structural Genomics Consortium (SGC)
登録日2006-03-07
公開日2006-03-14
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Comparative Structural Analysis of Human DEAD-Box RNA Helicases.
Plos One, 5, 2010
6LBA
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Cryo-EM structure of the AtMLKL2 tetramer
分子名称: Protein kinase family protein
著者Lisa, M, Huang, M, Zhang, X, Ryohei, T.N, Leila, B.K, Isabel, M.L.S, Florence, J, Viera, K, Dmitry, L, Jane, E.P, James, M.M, Kay, H, Paul, S.L, Chai, J, Takaki, M.
登録日2019-11-13
公開日2020-11-18
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献Cryo-EM structure of the AtMLKL3 tetramer
To Be Published
4V04
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BU of 4v04 by Molmil
FGFR1 in complex with ponatinib.
分子名称: 1,2-ETHANEDIOL, 3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzam ide, FIBROBLAST GROWTH FACTOR RECEPTOR 1 (FMS-RELATED TYROSINE KINASE 2, ...
著者Tucker, J, Klein, T, Breed, J, Breeze, A, Overman, R, Phillips, C, Norman, R.A.
登録日2014-09-10
公開日2014-12-10
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Structural Insights Into Fgfr Kinase Isoform Selectivity: Diverse Binding Modes of Azd4547 and Ponatinib in Complex with Fgfr1 and Fgfr4
Structure, 22, 2014
4URU
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The crystal structure of H-Ras and SOS in complex with ligands
分子名称: 4-METHOXY-N-(1,3-THIAZOL-2-YL)BENZENESULFONAMIDE, GTPASE HRAS, SON OF SEVENLESS HOMOLOG 1
著者Winter, J.J.G, Anderson, M, Blades, K, Brassington, C, Breeze, A.L, Chresta, C, Embrey, K, Fairley, G, Faulder, P, Finlay, M.R.V, Kettle, J.G, Nowak, T, Overman, R, Patel, S.J, Perkins, P, Spadola, L, Tart, J, Tucker, J, Wrigley, G.
登録日2014-07-02
公開日2015-03-04
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.83 Å)
主引用文献Small Molecule Binding Sites on the Ras:SOS Complex Can be Exploited for Inhibition of Ras Activation.
J.Med.Chem., 58, 2015
4UXQ
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BU of 4uxq by Molmil
FGFR4 in complex with Ponatinib
分子名称: 3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzam ide, FIBROBLAST GROWTH FACTOR RECEPTOR 4, SULFATE ION
著者Tucker, J, Klein, T, Breed, J, Breeze, A, Overman, R, Phillips, C, Norman, R.A.
登録日2014-08-27
公開日2014-12-03
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structural Insights Into Fgfr Kinase Isoform Selectivity: Diverse Binding Modes of Azd4547 and Ponatinib in Complex with Fgfr1 and Fgfr4
Structure, 22, 2014
2FZP
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BU of 2fzp by Molmil
Crystal structure of the USP8 interaction domain of human NRDP1
分子名称: ring finger protein 41 isoform 1
著者Walker, J.R, Avvakumov, G.V, Xue, S, Newman, E.M, Butler-Cole, C, Finerty Jr, P.J, Weigelt, J, Sundstrom, M, Arrowsmith, C, Edwards, A, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
登録日2006-02-10
公開日2006-03-28
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Amino-terminal Dimerization, NRDP1-Rhodanese Interaction, and Inhibited Catalytic Domain Conformation of the Ubiquitin-specific Protease 8 (USP8).
J.Biol.Chem., 281, 2006
3LLR
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BU of 3llr by Molmil
Crystal structure of the PWWP domain of Human DNA (cytosine-5-)-methyltransferase 3 alpha
分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DNA (cytosine-5)-methyltransferase 3A, SULFATE ION
著者Qiu, W, Dombrovski, L, Ni, S, Weigelt, J, Boutra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Wu, H, Structural Genomics Consortium (SGC)
登録日2010-01-29
公開日2010-03-23
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural and histone binding ability characterizations of human PWWP domains.
Plos One, 6, 2011
2GIH
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Q138F HincII bound to cognate DNA GTCGAC and Ca2+
分子名称: 5'-D(*GP*CP*CP*GP*GP*TP*CP*GP*AP*CP*CP*GP*GP*C)-3', CALCIUM ION, Type II restriction enzyme HincII
著者Horton, N.C, Joshi, H.K, Etzkorn, C, Chatwell, L, Bitinaite, J.
登録日2006-03-28
公開日2006-07-18
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Alteration of Sequence Specificity of the Type II Restriction Endonuclease HincII through an Indirect Readout Mechanism.
J.Biol.Chem., 281, 2006
6L6X
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BU of 6l6x by Molmil
The structure of ScoE with substrate
分子名称: (3~{R})-3-(2-hydroxy-2-oxoethylamino)butanoic acid, D(-)-TARTARIC ACID, FE (II) ION, ...
著者Chen, T.Y, Chen, J, Zhou, J, Chang, W.
登録日2019-10-29
公開日2020-03-04
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Pathway from N-Alkylglycine to Alkylisonitrile Catalyzed by Iron(II) and 2-Oxoglutarate-Dependent Oxygenases.
Angew.Chem.Int.Ed.Engl., 59, 2020
2G9B
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BU of 2g9b by Molmil
NMR solution structure of CA2+-loaded calbindin D28K
分子名称: Calbindin
著者Kojetin, D.J, Venters, R.A, Kordys, D.R, Thompson, R.J, Kumar, R, Cavanagh, J.
登録日2006-03-06
公開日2006-07-04
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Structure, binding interface and hydrophobic transitions of Ca(2+)-loaded calbindin-D(28K).
Nat.Struct.Mol.Biol., 13, 2006
6L86
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The structure of SfaA
分子名称: (2S)-2-hydroxybutanedioic acid, D-MALATE, FE (II) ION, ...
著者Chen, T.Y, Chen, J, Zhou, J, Chang, W.
登録日2019-11-05
公開日2020-03-04
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献Pathway from N-Alkylglycine to Alkylisonitrile Catalyzed by Iron(II) and 2-Oxoglutarate-Dependent Oxygenases.
Angew.Chem.Int.Ed.Engl., 59, 2020
6LIL
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BU of 6lil by Molmil
Crystal structure of human PDK2 complexed with an allosteric inhibitor compound 8c
分子名称: 1-(1-piperidin-4-ylpyrazol-4-yl)anthracene-9,10-dione, CITRATE ANION, DI(HYDROXYETHYL)ETHER, ...
著者Kang, J, Kim, J.
登録日2019-12-12
公開日2020-09-30
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Structural basis for the inhibition of PDK2 by novel ATP- and lipoyl-binding site targeting compounds.
Biochem.Biophys.Res.Commun., 527, 2020
7D6H
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BU of 7d6h by Molmil
Crystal structure of the SARS-CoV-2 papain-like protease (PLPro) C112S mutant
分子名称: PHOSPHATE ION, Papain-like protease, ZINC ION
著者Liu, J, Wang, Y, Pan, L.
登録日2020-09-30
公開日2020-11-04
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Development of potent and selective inhibitors targeting the papain-like protease of SARS-CoV-2.
Cell Chem Biol, 28, 2021
6LE5
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BU of 6le5 by Molmil
Crystal structure of the mitochondrial calcium uptake 1 and 2 heterodimer (MICU1-MICU2 heterodimer) in an apo state
分子名称: Calcium uptake protein 1, mitochondrial, Calcium uptake protein 2
著者Park, J, Lee, Y, Park, T, Kang, J.Y, Jin, M, Yang, J, Eom, S.H.
登録日2019-11-24
公開日2020-03-04
最終更新日2020-03-25
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structure of the MICU1-MICU2 heterodimer provides insights into the gatekeeping threshold shift.
Iucrj, 7, 2020
5KK3
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Atomic Resolution Structure of Monomorphic AB42 Amyloid Fibrils
分子名称: Beta-amyloid protein 42
著者Colvin, M.T, Silvers, R, Zhe Ni, Q, Can, T.V, Sergeyev, I, Rosay, M, Donovan, K.J, Michael, B, Wall, J, Linse, S, Griffin, R.G.
登録日2016-06-20
公開日2016-07-13
最終更新日2024-05-01
実験手法SOLID-STATE NMR
主引用文献Atomic Resolution Structure of Monomorphic A beta 42 Amyloid Fibrils.
J.Am.Chem.Soc., 138, 2016
7RNY
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Carbonic Anhydrase II in complex with 3-ureido benzenesulfonamide derivative
分子名称: 3-{[benzyl(methyl)carbamoyl]amino}benzene-1-sulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
著者Combs, J, McKenna, R.
登録日2021-07-30
公開日2022-06-08
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.29 Å)
主引用文献One-Pot Procedure for the Synthesis of Asymmetric Substituted Ureido Benzene Sulfonamides as Effective Inhibitors of Carbonic Anhydrase Enzymes.
J.Med.Chem., 65, 2022
7RNZ
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Carbonic Anhydrase II in complex with 4-ureido benzenesulfonamide derivative
分子名称: 4-[(methylcarbamoyl)amino]benzene-1-sulfonamide, AZIDE ION, Carbonic anhydrase 2, ...
著者Combs, J, McKenna, R.
登録日2021-07-30
公開日2022-06-08
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献One-Pot Procedure for the Synthesis of Asymmetric Substituted Ureido Benzene Sulfonamides as Effective Inhibitors of Carbonic Anhydrase Enzymes.
J.Med.Chem., 65, 2022
5KPC
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Pavine N-methyltransferase H206A mutant in complex with S-adenosylmethionine pH 6
分子名称: Pavine N-methyltransferase, S-ADENOSYLMETHIONINE
著者Torres, M.A, Hoffarth, E, Eugenio, L, Savtchouk, J, Chen, X, Morris, J, Facchini, P.J, Ng, K.K.S.
登録日2016-07-03
公開日2016-09-07
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural and Functional Studies of Pavine N-Methyltransferase from Thalictrum flavum Reveal Novel Insights into Substrate Recognition and Catalytic Mechanism.
J.Biol.Chem., 291, 2016
5KN4
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Pavine N-methyltransferase apoenzyme pH 6.0
分子名称: Pavine N-methyltransferase
著者Torres, M.A, Hoffarth, E, Eugenio, L, Savtchouk, J, Chen, X, Morris, J, Facchini, P.J, Ng, K.K.S.
登録日2016-06-27
公開日2016-09-07
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Structural and Functional Studies of Pavine N-Methyltransferase from Thalictrum flavum Reveal Novel Insights into Substrate Recognition and Catalytic Mechanism.
J.Biol.Chem., 291, 2016
7RGW
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Crystal structure of HERC2 DOC domain
分子名称: DI(HYDROXYETHYL)ETHER, E3 ubiquitin-protein ligase HERC2
著者Liu, J, Tencer, A.H, Kutateladze, T.G.
登録日2021-07-15
公開日2022-07-20
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献The ZZ domain of HERC2 is a receptor of arginylated substrates.
Sci Rep, 12, 2022
5KPG
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Pavine N-methyltransferase in complex with S-adenosylhomocysteine pH 7
分子名称: Pavine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
著者Torres, M.A, Hoffarth, E, Eugenio, L, Savtchouk, J, Chen, X, Morris, J, Facchini, P.J, Ng, K.K.S.
登録日2016-07-04
公開日2016-09-07
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural and Functional Studies of Pavine N-Methyltransferase from Thalictrum flavum Reveal Novel Insights into Substrate Recognition and Catalytic Mechanism.
J.Biol.Chem., 291, 2016
8HOW
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Crystal structure of AtHPPD-Y191052 complex
分子名称: 1,5-dimethyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-(2-phenylethyl)quinazoline-2,4-dione, 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION
著者Yang, G.-F, Lin, H.-Y, Dong, J.
登録日2022-12-11
公開日2023-01-25
最終更新日2023-02-01
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Discovery of Subnanomolar Inhibitors of 4-Hydroxyphenylpyruvate Dioxygenase via Structure-Based Rational Design.
J.Agric.Food Chem., 71, 2023

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