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4NXR
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Crystal Structure of T-cell Lymphoma Invasion and Metastasis-1 PDZ Domain Quadruple Mutant (QM) in Complex With Neurexin-1 Peptide
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONIC ACID(DANSYL ACID), Neurexin-2-beta Peptide, ...
著者Liu, X, Speckhard, D.C, Shepherd, T.R, Hengel, S.R, Fuentes, E.J.
登録日2013-12-09
公開日2015-05-13
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Distinct Roles for Conformational Dynamics in Protein-Ligand Interactions.
Structure, 24, 2016
4O21
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BU of 4o21 by Molmil
Product complex of metal-free PKAc, ATP-gamma-S and SP20.
分子名称: ADENOSINE-5'-DIPHOSPHATE, Thio-phosphorylated peptide pSP20, cAMP-dependent protein kinase catalytic subunit alpha
著者Das, A, Kovalevsky, A.Y, Gerlits, O, Langan, P, Heller, W.T, Keshwani, M, Taylor, S.
登録日2013-12-16
公開日2014-05-28
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Metal-Free cAMP-Dependent Protein Kinase Can Catalyze Phosphoryl Transfer.
Biochemistry, 53, 2014
3AGM
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BU of 3agm by Molmil
Complex of PKA with the bisubstrate protein kinase inhibitor ARC-670
分子名称: N~2~-{8-OXO-8-[4-(9H-PURIN-6-YL)PIPERAZIN-1-YL]OCTANOYL}-D-ARGINYL-D-ARGINYL-D-ARGINYL-D-ARGINYL-D-ARGINYL-D-ARGININAMIDE, cAMP-dependent protein kinase catalytic subunit alpha
著者Pflug, A, Ragozina, J, Uri, A, Bossemeyer, D, Engh, R.A.
登録日2010-04-02
公開日2010-09-01
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Diversity of bisubstrate binding modes of adenosine analogue-oligoarginine conjugates in protein kinase a and implications for protein substrate interactions.
J.Mol.Biol., 403, 2010
3AMB
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BU of 3amb by Molmil
Protein kinase A sixfold mutant model of Aurora B with inhibitor VX-680
分子名称: CYCLOPROPANECARBOXYLIC ACID {4-[4-(4-METHYL-PIPERAZIN-1-YL)-6-(5-METHYL-2H-PYRAZOL-3-YLAMINO)-PYRIMIDIN-2-YLSULFANYL]-PHENYL}-AMIDE, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha
著者Pflug, A, de Oliveira, T.M, Bossemeyer, D, Engh, R.A.
登録日2010-08-18
公開日2011-08-03
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Mutants of protein kinase A that mimic the ATP-binding site of Aurora kinase
Biochem.J., 440, 2011
4NKW
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BU of 4nkw by Molmil
Human steroidogenic cytochrome P450 17A1 mutant A105L with substrate pregnenolone
分子名称: (3BETA)-3-HYDROXYPREGN-5-EN-20-ONE, PROTOPORPHYRIN IX CONTAINING FE, Steroid 17-alpha-hydroxylase/17,20 lyase
著者Scott, E.E, Petrunak, E.P.
登録日2013-11-13
公開日2014-10-22
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structures of Human Steroidogenic Cytochrome P450 17A1 with Substrates.
J.Biol.Chem., 289, 2014
4NTT
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BU of 4ntt by Molmil
Structure of the catalytic subunit of cAMP-dependent protein kinase bound to ADP and one magnesium ion
分子名称: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, cAMP-dependent protein kinase catalytic subunit alpha
著者Bastidas, A.C, Wu, J, Taylor, S.S.
登録日2013-12-02
公開日2014-10-15
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Molecular Features of Product Release for the PKA Catalytic Cycle.
Biochemistry, 54, 2015
2YCK
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BU of 2yck by Molmil
methyltransferase bound with tetrahydrofolate
分子名称: (6S)-5,6,7,8-TETRAHYDROFOLATE, 5-METHYLTETRAHYDROFOLATE CORRINOID/IRON SULFUR PROTEIN METHYLTRANSFERASE, GLYCEROL, ...
著者Goetzl, S, Jeoung, J.-H, Hennig, S.E, Dobbek, H.
登録日2011-03-16
公開日2011-06-08
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structural Basis for Electron and Methyl-Group Transfer in a Methyltransferase System Operating in the Reductive Acetyl-Coa Pathway
J.Mol.Biol., 411, 2011
4NKV
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BU of 4nkv by Molmil
Human steroidogenic cytochrome P450 17A1 mutant A105L with inhibitor abiraterone
分子名称: Abiraterone, PROTOPORPHYRIN IX CONTAINING FE, Steroid 17-alpha-hydroxylase/17,20 lyase
著者Scott, E.E, Petrunak, E.M.
登録日2013-11-13
公開日2014-10-22
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.646 Å)
主引用文献Structures of Human Steroidogenic Cytochrome P450 17A1 with Substrates.
J.Biol.Chem., 289, 2014
4R6J
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BU of 4r6j by Molmil
Crystal structure of computaional designed Lucine rich repeats DLRR_H in space group P212121
分子名称: Lucine rich repeats DLRR_H, SULFATE ION
著者Shen, B.W, Stoddard, B.L.
登録日2014-08-25
公開日2015-01-07
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Control of repeat-protein curvature by computational protein design.
Nat.Struct.Mol.Biol., 22, 2015
3AGL
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BU of 3agl by Molmil
Complex of PKA with the bisubstrate protein kinase inhibitor ARC-1039
分子名称: (10R,20R,23R)-1-[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-20,23-bis(3-carbamimidamido propyl)-10-methyl-1,8,11,18,21-pentaoxo-2,9,12,19,22-pentaazatetracosan-24-amide, cAMP-dependent protein kinase catalytic subunit alpha
著者Pflug, A, Ragozina, J, Uri, A, Bossemeyer, D, Engh, R.A.
登録日2010-04-02
公開日2010-09-01
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Diversity of bisubstrate binding modes of adenosine analogue-oligoarginine conjugates in protein kinase a and implications for protein substrate interactions.
J.Mol.Biol., 403, 2010
4R6G
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BU of 4r6g by Molmil
Crystal structure of computational designed leucine rich repeats DLRR_K in space group P22121
分子名称: CALCIUM ION, leucine rich repeats DLRR_K
著者Shen, B.W, Stoddard, B.L.
登録日2014-08-25
公開日2015-01-07
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Control of repeat-protein curvature by computational protein design.
Nat.Struct.Mol.Biol., 22, 2015
3A60
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BU of 3a60 by Molmil
Crystal structure of unphosphorylated p70S6K1 (Form I)
分子名称: Ribosomal protein S6 kinase beta-1, STAUROSPORINE
著者Sunami, T, Byrne, N, Diehl, R.E, Funabashi, K, Hall, D.L, Ikuta, M, Patel, S.B, Shipman, J.M, Smith, R.F, Takahashi, I, Zugay-Murphy, J, Iwasawa, Y, Lumb, K.J, Munshi, S.K, Sharma, S.
登録日2009-08-17
公開日2009-10-27
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural basis of human p70 ribosomal S6 kinase-1 regulation by activation loop phosphorylation.
J.Biol.Chem., 285, 2010
3B71
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BU of 3b71 by Molmil
CD4 endocytosis motif bound to the Focal Adhesion Targeting (FAT) domain of the Focal Adhesion Kinase
分子名称: Focal adhesion kinase 1, T-cell surface glycoprotein CD4
著者Garron, M.-L, Arold, S.T.
登録日2007-10-30
公開日2008-01-01
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.82 Å)
主引用文献Structural basis for the interaction between focal adhesion kinase and CD4.
J.Mol.Biol., 375, 2008
7X32
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BU of 7x32 by Molmil
Crystal structure of E. coli NfsB in complex with berberine
分子名称: BERBERINE, DIMETHYL SULFOXIDE, Dihydropteridine reductase, ...
著者Zhang, H, Wen, H.Y.
登録日2022-02-27
公開日2022-10-12
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.829 Å)
主引用文献Structural basis for the transformation of the traditional medicine berberine by bacterial nitroreductase.
Acta Crystallogr D Struct Biol, 78, 2022
7XLQ
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BU of 7xlq by Molmil
Structure of human R-type voltage-gated CaV2.3-alpha2/delta1-beta1 channel complex in the ligand-free (apo) state
分子名称: 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Gao, Y, Qiu, Y, Wei, Y, Dong, Y, Zhang, X.C, Zhao, Y.
登録日2022-04-22
公開日2023-02-08
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Molecular insights into the gating mechanisms of voltage-gated calcium channel Ca V 2.3.
Nat Commun, 14, 2023
7WW4
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BU of 7ww4 by Molmil
Crystal structure of multidomain beta-1,3(4)-glucanase
分子名称: CALCIUM ION, GLYCEROL, beta-1,3(4)-glucanase
著者Jiang, Z.Q, Ma, J.W.
登録日2022-02-12
公開日2023-02-15
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.23006082 Å)
主引用文献Crystal structure of multidomain beta-1,3(4)-glucanase
To be published
7WWC
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BU of 7wwc by Molmil
Crystal structure of beta-1,3(4)-glucanase with Laminaritriose
分子名称: beta-1,3(4)-glucanase, beta-D-glucopyranose-(1-3)-beta-D-glucopyranose, beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose
著者Jiang, Z.Q, Ma, J.W.
登録日2022-02-12
公開日2023-02-15
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.2021625 Å)
主引用文献Crystal structure of beta-1,3(4)-glucanase with Laminaritriose
To Be Published
7XK2
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BU of 7xk2 by Molmil
Cryo-EM Structure of Human Niacin Receptor HCA2-Gi protein complex
分子名称: 2-[[2,2-dimethyl-3-[3-(5-oxidanylpyridin-2-yl)-1,2,4-oxadiazol-5-yl]propanoyl]amino]cyclohexene-1-carboxylic acid, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
著者Yang, Y, Kang, H.J, Gao, R.G, Wang, J.J, Han, G.W, DiBerto, J.F, Wu, L.J, Tong, J.H, Qu, L, Wu, Y.R, Pileski, R, Li, X.M, Zhang, X.C, Zhao, S.W, Kenakin, T, Wang, Q, Stevens, R.C, Peng, W, Roth, B.L, Rao, Z.H, Liu, Z.J.
登録日2022-04-19
公開日2023-02-22
最終更新日2024-10-30
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structural insights into the human niacin receptor HCA2-G i signalling complex.
Nat Commun, 14, 2023
7XN1
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BU of 7xn1 by Molmil
Crystal structure of human acetylcholinesterase in complex with tacrine
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, Acetylcholinesterase, ...
著者Dileep, K.V, Ihara, K, Mishima-Tsumagari, C, Kukimoto-Niino, M, Yonemochi, M, Hanada, K, Shirouzu, M, Zhang, K.Y.J.
登録日2022-04-27
公開日2023-03-01
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Crystal structure of human acetylcholinesterase in complex with tacrine: Implications for drug discovery
Int.J.Biol.Macromol., 210, 2022
7X4U
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BU of 7x4u by Molmil
Crystal structure of ERK2 with an allosteric inhibitor 2
分子名称: (2R,3R,4S,5R)-2-(4-AMINO-5-IODO-7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-3,4-DIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, ...
著者Yoshida, M, Kinoshita, T.
登録日2022-03-03
公開日2023-03-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Structural basis for producing allosteric ERK2 inhibitors
To Be Published
7XC1
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Crystal structure of ERK2 with an allosteric inhibitor 3
分子名称: (2R,3R,4S,5R)-2-(4-AMINO-5-IODO-7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-3,4-DIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, ...
著者Yoshida, M, Kinoshita, T.
登録日2022-03-22
公開日2023-03-22
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Structural basis for ERK2 allosteric inhibitors.
To Be Published
7XGL
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BU of 7xgl by Molmil
Quinolinate Phosphoribosyl Transferase (QAPRTase) from Streptomyces pyridomyceticus NRRL B-2517 in Apo form
分子名称: CHLORIDE ION, GLYCEROL, Quinolinate Phosphoribosyl Transferase, ...
著者Zhou, Z, Yang, X, Huang, T, Wang, X, Liang, R, Zheng, J, Dai, S, Lin, S, Deng, Z.
登録日2022-04-05
公開日2023-03-22
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Bifunctional NadC Homologue PyrZ Catalyzes Nicotinic Acid Formation in Pyridomycin Biosynthesis.
Acs Chem.Biol., 18, 2023
7XGM
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BU of 7xgm by Molmil
Quinolinate Phosphoribosyl Transferase (QAPRTase) from Streptomyces pyridomyceticus NRRL B-2517 in complex with Quinolinic Acid (QA)
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, QUINOLINIC ACID, ...
著者Zhou, Z, Yang, X, Huang, T, Wang, X, Liang, R, Zheng, J, Dai, S, Lin, S, Deng, Z.
登録日2022-04-05
公開日2023-03-22
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Bifunctional NadC Homologue PyrZ Catalyzes Nicotinic Acid Formation in Pyridomycin Biosynthesis.
Acs Chem.Biol., 18, 2023
7XGN
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BU of 7xgn by Molmil
Quinolinate Phosphoribosyl Transferase (QAPRTase) from Streptomyces pyridomyceticus NRRL B-2517 in complex with Nicotinic Acid (NA)
分子名称: CHLORIDE ION, NICOTINIC ACID, Quinolinate Phosphoribosyl Transferase, ...
著者Zhou, Z, Yang, X, Huang, T, Wang, X, Liang, R, Zheng, J, Dai, S, Lin, S, Deng, Z.
登録日2022-04-05
公開日2023-03-22
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Bifunctional NadC Homologue PyrZ Catalyzes Nicotinic Acid Formation in Pyridomycin Biosynthesis.
Acs Chem.Biol., 18, 2023
7XJM
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BU of 7xjm by Molmil
Structure of VcPotD1 in complex with spermidine
分子名称: HEXAETHYLENE GLYCOL, Putrescine-binding periplasmic protein, SPERMIDINE, ...
著者Ma, Q, Liu, C.
登録日2022-04-18
公開日2023-04-26
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.755 Å)
主引用文献structure of VcPotD1 in complex with spermidine
To Be Published

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件を2024-10-30に公開中

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