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3P0C
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Nischarin PX-domain
分子名称: GLYCEROL, Nischarin
著者Schutz, P, Karlberg, T, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Kol, S, Kotenyova, T, Kouznetsova, E, Moche, M, Nyman, T, Persson, C, Siponen, M.I, Thorsell, A.G, Tresaugues, L, Van Der Berg, S, Wahlberg, E, Welin, M, Weigelt, J, Nordlund, P, Schuler, H, Structural Genomics Consortium (SGC)
登録日2010-09-28
公開日2010-10-13
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.273 Å)
主引用文献Crystal structure of Nischarin PX-domain
to be published
3P0M
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Human cAMP-dependent protein kinase in complex with an inhibitor
分子名称: (2R)-4-amino-N'-[(1E)-(3-bromo-4-hydroxyphenyl)methylidene]-2-phenylbutanehydrazide, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha
著者Koester, H, Heine, A, Klebe, G.
登録日2010-09-29
公開日2011-09-28
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Fragment based drug design on PKA
To be Published
5N23
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BU of 5n23 by Molmil
Protein kinase A mutants as surrogate model for Aurora B with AT9283 inhibitor
分子名称: 1-cyclopropyl-3-{3-[5-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl}urea, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha
著者Alam, K.A, Rothweiler, U, Engh, R.A.
登録日2017-02-07
公開日2018-03-14
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.088 Å)
主引用文献Inhibitor induced structural effects involving Phe327 in AGC kinases
To Be Published
3P4F
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Structural and biochemical insights into MLL1 core complex assembly and regulation.
分子名称: Histone-lysine N-methyltransferase MLL, Retinoblastoma-binding protein 5, WD repeat-containing protein 5
著者Avdic, V, Zhang, P, Lanouette, S, Groulx, A, Tremblay, V, Brunzelle, J.B, Couture, J.-F.
登録日2010-10-06
公開日2010-12-08
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structural and biochemical insights into MLL1 core complex assembly.
Structure, 19, 2011
3NZI
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Substrate induced remodeling of the active site regulates HtrA1 activity
分子名称: Citrate synthase, Serine protease HTRA1
著者Truebestein, L, Tennstaedt, A, Hauske, P, Krojer, T, Kaiser, M, Clausen, T, Ehrmann, M.
登録日2010-07-16
公開日2011-02-23
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Substrate-induced remodeling of the active site regulates human HTRA1 activity.
Nat.Struct.Mol.Biol., 18, 2011
5NBT
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Apo structure of p60N/p80C katanin
分子名称: Katanin p60 ATPase-containing subunit A1, Katanin p80 WD40 repeat-containing subunit B1
著者Jiang, K, Rezabkova, L, Hua, S, Liu, Q, Capitani, G, Altelaar, A.F.M, Heck, A.J.R, Kammerer, R.A, Steinmetz, M.O, Akhmanova, A.
登録日2017-03-02
公開日2017-04-26
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Microtubule minus-end regulation at spindle poles by an ASPM-katanin complex.
Nat. Cell Biol., 19, 2017
3V0C
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BU of 3v0c by Molmil
4.3 angstrom crystal structure of an inactive BoNT/A (E224Q/R363A/Y366F)
分子名称: BoNT/A, ZINC ION
著者Gu, S, Rumpel, S, Zhou, J, Strotmeier, J, Bigalke, H, Perry, K, Shoemaker, C.B, Rummel, A, Jin, R.
登録日2011-12-07
公開日2012-03-14
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (4.3 Å)
主引用文献Botulinum neurotoxin is shielded by NTNHA in an interlocked complex.
Science, 335, 2012
3UZX
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BU of 3uzx by Molmil
Crystal structure of 5beta-reductase (AKR1D1) E120H mutant in complex with NADP+ and epiandrosterone
分子名称: (3Beta,5alpha)-3-Hydroxyandrostan-17-one, 3-oxo-5-beta-steroid 4-dehydrogenase, 5-ALPHA-ANDROSTANE-3-BETA,17BETA-DIOL, ...
著者Chen, M, Christianson, D.W, Penning, T.M.
登録日2011-12-07
公開日2012-03-21
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.637 Å)
主引用文献Conversion of Human Steroid 5beta-Reductase (AKR1D1) into 3β-Hydroxysteroid Dehydrogenase by Single Point Mutation E120H: EXAMPLE OF PERFECT ENZYME ENGINEERING.
J.Biol.Chem., 287, 2012
4RQL
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BU of 4rql by Molmil
Crystal structure of a human cytochrome P450 2B6 (Y226H/K262R) in complex with a monoterpene - sabinene
分子名称: 1,2-ETHANEDIOL, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B6, ...
著者Shah, M.B.
登録日2014-11-03
公開日2015-01-28
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.105 Å)
主引用文献Structural and Biophysical Characterization of Human Cytochromes P450 2B6 and 2A6 Bound to Volatile Hydrocarbons: Analysis and Comparison.
Mol.Pharmacol., 87, 2015
4RRT
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Crystal structure of a human cytochrome P450 2B6 (Y226H/K262R) in complex with (+)-3-carene
分子名称: (+)-3-carene, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B6, ...
著者Shah, M.B.
登録日2014-11-06
公開日2015-01-28
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural and Biophysical Characterization of Human Cytochromes P450 2B6 and 2A6 Bound to Volatile Hydrocarbons: Analysis and Comparison.
Mol.Pharmacol., 87, 2015
5MYV
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BU of 5myv by Molmil
Crystal structure of SRPK2 in complex with compound 1
分子名称: 5-methyl-~{N}-[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]furan-2-carboxamide, DIMETHYL SULFOXIDE, SRSF protein kinase 2,SRSF protein kinase 2, ...
著者Chaikuad, A, Pike, A.C.W, Savitsky, P, von Delft, F, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Knapp, S, Structural Genomics Consortium (SGC)
登録日2017-01-29
公開日2017-05-10
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Development of Potent, Selective SRPK1 Inhibitors as Potential Topical Therapeutics for Neovascular Eye Disease.
ACS Chem. Biol., 12, 2017
4TPH
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BU of 4tph by Molmil
Selectivity mechanism of a bacterial homologue of the human drug peptide transporters PepT1 and PepT2
分子名称: 3,5 DIBROMOTYROSINE, ALANINE, DODECYL-BETA-D-MALTOSIDE, ...
著者Guettou, F, Quistgaard, E, Raba, M, Moberg, P, Low, C, Nordlund, P.
登録日2014-06-07
公開日2014-07-09
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.155 Å)
主引用文献Selectivity mechanism of a bacterial homolog of the human drug-peptide transporters PepT1 and PepT2.
Nat.Struct.Mol.Biol., 21, 2014
1ZLY
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BU of 1zly by Molmil
The structure of human glycinamide ribonucleotide transformylase in complex with alpha,beta-N-(hydroxyacetyl)-D-ribofuranosylamine and 10-formyl-5,8,dideazafolate
分子名称: 4-[(4-{[(2-AMINO-4-OXO-3,4-DIHYDROQUINAZOLIN-6-YL)METHYL]AMINO}BENZOYL)AMINO]BUTANOIC ACID, 5-O-phosphono-beta-D-ribofuranosylamine, Phosphoribosylglycinamide formyltransferase
著者Dahms, T.E.S, Sainz, G, Giroux, E.L, Caperelli, C.A, Smith, J.L.
登録日2005-05-09
公開日2005-08-23
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献The apo and ternary complex structures of a chemotherapeutic target: human glycinamide ribonucleotide transformylase.
Biochemistry, 44, 2005
4JKK
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Crystal Structure of Streptococcus agalactiae beta-glucuronidase in space group I222
分子名称: Beta-glucuronidase, MAGNESIUM ION
著者Wallace, B.D, Redinbo, M.R.
登録日2013-03-09
公開日2014-09-17
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Structure and Inhibition of Microbiome beta-Glucuronidases Essential to the Alleviation of Cancer Drug Toxicity.
Chem.Biol., 22, 2015
2JHO
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BU of 2jho by Molmil
Cyanomet Sperm Whale Myoglobin at 1.4A resolution
分子名称: CYANIDE ION, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Arcovito, A, Benfatto, M, Cianci, M, Hasnain, S.S, Nienhaus, K, Nienhaus, G.U, Savino, C, Strange, R.W, Vallone, B, Della Longa, S.
登録日2007-02-23
公開日2007-04-03
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献X-ray structure analysis of a metalloprotein with enhanced active-site resolution using in situ x-ray absorption near edge structure spectroscopy.
Proc. Natl. Acad. Sci. U.S.A., 104, 2007
1YW2
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Mutated Mus Musculus P38 Kinase (mP38)
分子名称: 2-(ETHOXYMETHYL)-4-(4-FLUOROPHENYL)-3-[2-(2-HYDROXYPHENOXY)PYRIMIDIN-4-YL]ISOXAZOL-5(2H)-ONE, Mitogen-activated protein kinase 14
著者Laughlin, S.K, Clark, M.P, Djung, J.F, Golebiowski, A, Brugel, T.A, Sabat, M, Bookland, R.G, Laufersweiler, M.J, Vanrens, J.C, Townes, J.A, De, B, Hsieh, L.C, Xu, S.C, Walter, R.L, Mekel, M.J, Janusz, M.J.
登録日2005-02-16
公開日2005-05-10
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献The development of new isoxazolone based inhibitors of tumor necrosis factor-alpha (TNF-alpha) production.
Bioorg.Med.Chem.Lett., 15, 2005
3WIN
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BU of 3win by Molmil
Clostridium botulinum Hemagglutinin
分子名称: 17 kD hemagglutinin component, HA1, HA3
著者Amatsu, S, Sugawara, Y, Matsumura, T, Fujinaga, Y, Kitadokoro, K.
登録日2013-09-19
公開日2013-11-06
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Crystal Structure of Clostridium botulinum Whole Hemagglutinin Reveals a Huge Triskelion-shaped Molecular Complex
J.Biol.Chem., 288, 2013
4TPG
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BU of 4tpg by Molmil
Selectivity mechanism of a bacterial homologue of the human drug peptide transporters PepT1 and PepT2
分子名称: Ala-L-3-Br-Tyr-Ala, DODECYL-BETA-D-MALTOSIDE, Proton:oligopeptide symporter POT family, ...
著者Guettou, F, Quistgaard, E.M, Raba, M, Moberg, P, Low, C, Nordlund, P.
登録日2014-06-07
公開日2014-07-09
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.91 Å)
主引用文献Selectivity mechanism of a bacterial homolog of the human drug-peptide transporters PepT1 and PepT2.
Nat.Struct.Mol.Biol., 21, 2014
1ZCB
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BU of 1zcb by Molmil
Crystal structure of G alpha 13 in complex with GDP
分子名称: G alpha i/13, GUANOSINE-5'-DIPHOSPHATE
著者Nance, M.R, Tesmer, J.J.G.
登録日2005-04-11
公開日2005-11-15
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A new approach to producing functional G alpha subunits yields the activated and deactivated structures of G alpha(12/13) proteins.
Biochemistry, 45, 2006
4JIH
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Crystal Structure Of AKR1B10 Complexed With NADP+ And Epalrestat
分子名称: Aldo-keto reductase family 1 member B10, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, {5-[(2E)-2-methyl-3-phenylprop-2-en-1-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}acetic acid
著者Zhang, L, Zheng, X, Zhang, H, Zhao, Y, Chen, K, Zhai, J, Hu, X, Structural Genomics Consortium (SGC)
登録日2013-03-06
公開日2013-10-23
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Inhibitor selectivity between aldo-keto reductase superfamily members AKR1B10 and AKR1B1: Role of Trp112 (Trp111).
Febs Lett., 587, 2013
3BBP
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Rab6-GTP:GCC185 Rab binding domain complex
分子名称: GRIP and coiled-coil domain-containing protein 2, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Schweizer Burguete, A, Fenn, T.D, Brunger, A.T, Pfeffer, S.R.
登録日2007-11-09
公開日2008-02-05
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Rab and Arl GTPase family members cooperate in the localization of the golgin GCC185.
Cell(Cambridge,Mass.), 132, 2008
4JKM
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Crystal Structure of Clostridium perfringens beta-glucuronidase
分子名称: Beta-glucuronidase, Maltose-binding periplasmic protein
著者Wallace, B.D, Redinbo, M.R.
登録日2013-03-09
公開日2014-09-17
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.263 Å)
主引用文献Structure and Inhibition of Microbiome beta-Glucuronidases Essential to the Alleviation of Cancer Drug Toxicity.
Chem.Biol., 22, 2015
3P71
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Crystal structure of the complex of LCMT-1 and PP2A
分子名称: 5'-{[(3S)-3-amino-3-carboxypropyl](ethyl)amino}-5'-deoxyadenosine, DI(HYDROXYETHYL)ETHER, Leucine carboxyl methyltransferase 1, ...
著者Xing, Y, Stanevich, V, Satyshur, K.A, Jiang, L.
登録日2010-10-11
公開日2011-02-16
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献The Structural Basis for Tight Control of PP2A Methylation and Function by LCMT-1.
Mol.Cell, 41, 2011
2ZMC
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Crystal structure of human mitotic checkpoint kinase Mps1 catalytic domain apo form
分子名称: 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, Dual specificity protein kinase TTK
著者Chu, M.L.H, Chavas, L.M.G, Douglas, K.T, Eyers, P.A, Tabernero, L.
登録日2008-04-16
公開日2008-05-13
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (3.14 Å)
主引用文献Crystal structure of the catalytic domain of the mitotic checkpoint kinase Mps1 in complex with SP600125.
J.Biol.Chem., 283, 2008
4GAB
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Human AKR1B10 mutant V301L complexed with NADP+ and fidarestat
分子名称: (2S,4S)-2-AMINOFORMYL-6-FLUORO-SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]-2',5'-DIONE, Aldo-keto reductase family 1 member B10, CHLORIDE ION, ...
著者Cousido-Siah, A, Ruiz Figueras, F.X, Mitschler, A, Podjarny, A.
登録日2012-07-25
公開日2013-03-20
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.5971 Å)
主引用文献X-ray structure of the V301L aldo-keto reductase 1B10 complexed with NADP(+) and the potent aldose reductase inhibitor fidarestat: Implications for inhibitor binding and selectivity.
Chem.Biol.Interact, 202, 2013

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