5DS2
 
 | | Core domain of the class I small heat-shock protein HSP 18.1 from Pisum sativum | | 分子名称: | 18.1 kDa class I heat shock protein, SULFATE ION | | 著者 | Shepherd, D.A, Laganowsky, A, Allison, T.M, Hochberg, G.K.A, Benesch, J.L.P. | | 登録日 | 2015-09-16 | | 公開日 | 2016-09-28 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Structural principles that enable oligomeric small heat-shock protein paralogs to evolve distinct functions.
Science, 359, 2018
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6GOK
 | | X-ray structure of the adduct formed upon reaction of bovine pancreatic ribonuclease with a Pd(II) complex bearing N,N-pyridylbenzimidazole derivative with an alkylated sulphonate side chain | | 分子名称: | N,N-pyridylbenzimidazole derivative-Pd complex, PALLADIUM ION, Ribonuclease pancreatic | | 著者 | Merlino, A, Ferraro, G. | | 登録日 | 2018-06-01 | | 公開日 | 2018-07-25 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | | 主引用文献 | Exploring the interactions between model proteins and Pd(ii) or Pt(ii) compounds bearing charged N,N-pyridylbenzimidazole bidentate ligands by X-ray crystallography.
Dalton Trans, 47, 2018
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8BLR
 | | G13D mutant of KRAS4b (2-169) bound to GDP with the switch-I in fully open conformation | | 分子名称: | GTPase KRas, N-terminally processed, GUANOSINE-5'-DIPHOSPHATE | | 著者 | Moche, M, Jungholm, O, Strandback, E, Ampah-Korsah, H, Nyman, T, Orwar, O. | | 登録日 | 2022-11-10 | | 公開日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | The 1.4 A crystal structure of K-Ras4A mutant G13D in open conformation
To Be Published
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8BPJ
 | | X-ray structure of the adduct formed upon reaction of Lysozyme with [Ru2Cl(D-p-FPhF)(O2CCH3)3] (Structure 1) | | 分子名称: | 9,11-bis(4-fluorophenyl)-3,7-dimethyl-2,4,6,8-tetraoxa-9,11-diaza-1$l^{4},5$l^{4}-diruthenatricyclo[3.3.3.0^{1,5}]undecane, Lysozyme, NITRATE ION, ... | | 著者 | Teran, A, Merlino, A, Ferraro, G. | | 登録日 | 2023-01-17 | | 公開日 | 2023-06-28 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.38 Å) | | 主引用文献 | Effect of Equatorial Ligand Substitution on the Reactivity with Proteins of Paddlewheel Diruthenium Complexes: Structural Studies.
Inorg.Chem., 62, 2023
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3DCK
 | | X-ray structure of D25N chemical analogue of HIV-1 protease complexed with ketomethylene isostere inhibitor | | 分子名称: | (2S)-2-{[(2R,5S)-5-{[(2S,3S)-2-{[(2S,3R)-2-(acetylamino)-3-hydroxybutanoyl]amino}-3-methylpentanoyl]amino}-2-butyl-4-oxononanoyl]amino}-N~1~-[(2S)-1-amino-5-carbamimidamido-1-oxopentan-2-yl]pentanediamide, Chemical analogue HIV-1 protease | | 著者 | Torbeev, V.Y, Mandal, K, Terechko, V.A, Kent, S.B.H. | | 登録日 | 2008-06-03 | | 公開日 | 2008-08-19 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Crystal structure of chemically synthesized HIV-1 protease and a ketomethylene isostere inhibitor based on the p2/NC cleavage site
Bioorg.Med.Chem.Lett., 18, 2008
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8BPU
 | | X-ray structure of the adduct formed upon reaction of Lysozyme with [Ru2Cl(D-p-FPhF)(O2CCH3)3] (Structure 2) | | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 9,11-bis(4-fluorophenyl)-2,4,6,8-tetraoxa-9,11-diaza-1$l^{4},5$l^{4}-diruthenatricyclo[3.3.3.0^{1,5}]undecane, Lysozyme, ... | | 著者 | Teran, A, Merlino, A, Ferraro, G. | | 登録日 | 2022-11-17 | | 公開日 | 2023-06-28 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (1.81 Å) | | 主引用文献 | Effect of Equatorial Ligand Substitution on the Reactivity with Proteins of Paddlewheel Diruthenium Complexes: Structural Studies.
Inorg.Chem., 62, 2023
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3DCR
 | | X-ray structure of HIV-1 protease and hydrated form of ketomethylene isostere inhibitor | | 分子名称: | Chemical analogue HIV-1 protease, N~2~-[(2R,5S)-5-({(2S,3S)-2-[(N-acetyl-L-threonyl)amino]-3-methylpent-4-enoyl}amino)-2-butyl-4,4-dihydroxynonanoyl]-L-glutaminyl-L-argininamide | | 著者 | Torbeev, V.Y, Mandal, K, Terechko, V.A, Kent, S.B.H. | | 登録日 | 2008-06-04 | | 公開日 | 2008-08-19 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Crystal structure of chemically synthesized HIV-1 protease and a ketomethylene isostere inhibitor based on the p2/NC cleavage site
Bioorg.Med.Chem.Lett., 18, 2008
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8BPH
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6SPM
 | | Crystal structure of cAMP-dependent protein kinase A (CHO PKA) in complex with 4-(trifluoromethyl)benzoic acid | | 分子名称: | 4-(trifluoromethyl)benzoic acid, DIMETHYL SULFOXIDE, METHANOL, ... | | 著者 | Oebbeke, M, Siefker, C, Heine, A, Klebe, G. | | 登録日 | 2019-09-02 | | 公開日 | 2020-09-30 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.37 Å) | | 主引用文献 | Fragment Binding to Kinase Hinge: If Charge Distribution and Local pK a Shifts Mislead Popular Bioisosterism Concepts.
Angew.Chem.Int.Ed.Engl., 60, 2021
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8BQM
 | | X-ray structure of the adduct formed upon reaction of Lysozyme with [Ru2Cl(D-p-FPhF)(O2CCH3)3] (Structure 4) | | 分子名称: | ACETATE ION, CHLORIDE ION, Lysozyme, ... | | 著者 | Teran, A, Merlino, A, Ferraro, G. | | 登録日 | 2022-11-21 | | 公開日 | 2023-06-28 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.17 Å) | | 主引用文献 | Effect of Equatorial Ligand Substitution on the Reactivity with Proteins of Paddlewheel Diruthenium Complexes: Structural Studies.
Inorg.Chem., 62, 2023
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6SPU
 | | Crystal structure of cAMP-dependent protein kinase A (CHO PKA) in complex with 3-aminobenzoic acid | | 分子名称: | 3-AMINOBENZOIC ACID, DIMETHYL SULFOXIDE, cAMP-dependent protein kinase catalytic subunit alpha | | 著者 | Oebbeke, M, Siefker, C, Heine, A, Klebe, G. | | 登録日 | 2019-09-02 | | 公開日 | 2020-09-30 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.39 Å) | | 主引用文献 | Fragment Binding to Kinase Hinge: If Charge Distribution and Local pK a Shifts Mislead Popular Bioisosterism Concepts.
Angew.Chem.Int.Ed.Engl., 60, 2021
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6SQ1
 | | Crystal structure of cAMP-dependent Protein Kinase A (CHO PKA) in complex with Aminofasudil | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 5-(1,4-diazepan-1-ylsulfonyl)isoquinolin-1-amine, DIMETHYL SULFOXIDE, ... | | 著者 | Oebbeke, M, Siefker, C, Heine, A, Klebe, G. | | 登録日 | 2019-09-03 | | 公開日 | 2020-09-30 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.49 Å) | | 主引用文献 | A crystallographic study of cAMP-dependent Protein Kinase A in complex with different Fasudil-derivatives
To Be Published
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6GTT
 | | Human STK10 bound to BIRB-796 | | 分子名称: | 1-(5-TERT-BUTYL-2-P-TOLYL-2H-PYRAZOL-3-YL)-3-[4-(2-MORPHOLIN-4-YL-ETHOXY)-NAPHTHALEN-1-YL]-UREA, Serine/threonine-protein kinase 10 | | 著者 | Berger, B.T, Sorrell, F.J, von Delft, F, Bountra, C, Knapp, S, Edwards, A.M, Arrowsmith, C, Elkins, J.M. | | 登録日 | 2018-06-19 | | 公開日 | 2018-06-27 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | STK10 bound to BIRB-796
To Be Published
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6T0P
 | | Cationic Trypsin in Complex with a D-Phe-Pro-2-aminopyridine derivative | | 分子名称: | (2~{S})-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]-~{N}-[(2-azanylpyridin-4-yl)methyl]pyrrolidine-2-carboxamide, CALCIUM ION, Cationic Trypsin, ... | | 著者 | Ngo, K, Heine, A, Klebe, G. | | 登録日 | 2019-10-03 | | 公開日 | 2020-05-13 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.19 Å) | | 主引用文献 | Protein-Induced Change in Ligand Protonation during Trypsin and Thrombin Binding: Hint on Differences in Selectivity Determinants of Both Proteins?
J.Med.Chem., 63, 2020
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5E0E
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3DBF
 | | Crystal structure of an activated (Thr->Asp) Polo-like kinase 1 (Plk1) catalytic domain in complex with Compound 562 | | 分子名称: | 4-({1-[3-(3-amino-3-oxopropyl)-5-chlorophenyl]-3-methyl-1H-pyrazolo[4,3-c]pyridin-6-yl}amino)-3-methoxy-N-(1-methylpipe ridin-4-yl)benzamide, Polo-like kinase | | 著者 | Elling, R.A, Zhu, J, Barr, K.J, Romanowski, M.J. | | 登録日 | 2008-05-31 | | 公開日 | 2008-10-07 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | | 主引用文献 | Design and synthesis of 2-amino-pyrazolopyridines as Polo-like kinase 1 inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008
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6SPI
 | | A4V MUTANT OF HUMAN SOD1 WITH EBSELEN DERIVATIVE 4 | | 分子名称: | SULFATE ION, Superoxide dismutase [Cu-Zn], ZINC ION, ... | | 著者 | Chantadul, V, Amporndanai, K, Wright, G, Antonyuk, S, Hasnain, S. | | 登録日 | 2019-09-01 | | 公開日 | 2020-03-18 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Ebselen as template for stabilization of A4V mutant dimer for motor neuron disease therapy.
Commun Biol, 3, 2020
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8BFS
 | | Crystal structure of human calmodulin-dependent protein kinase 1D (CAMK1D) in complex with FZ326 | | 分子名称: | 1,2-ETHANEDIOL, 3~{H}-pyrrolo[2,3-c]isoquinolin-5-amine, Calcium/calmodulin-dependent protein kinase type 1D, ... | | 著者 | Kraemer, A, Zhu, W.F, Hernandez-Olmos, V, Proschak, E, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2022-10-26 | | 公開日 | 2022-11-16 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Crystal structure of human calmodulin-dependent protein kinase 1D (CAMK1D) in complex with FZ326
To Be Published
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3DFA
 | | Crystal structure of kinase domain of calcium-dependent protein kinase cgd3_920 from Cryptosporidium parvum | | 分子名称: | Calcium-dependent protein kinase cgd3_920 | | 著者 | Wernimont, A.K, Lew, J, Lin, Y.H, Hassanali, A, Khuu, C, Alam, Z, Kozieradzki, I, Cossar, D, Bochkarev, A, Arrowsmith, C.H, Bountra, C, Wilkstrom, M, Edwards, A.M, Hui, R, Artz, J.D, Xiao, T, Structural Genomics Consortium (SGC) | | 登録日 | 2008-06-11 | | 公開日 | 2008-07-29 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | | 主引用文献 | Crystal structure of kinase domain of calcium-dependent protein kinase cgd3_920 from Cryptosporidium parvum.
To be Published
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6GVJ
 | | Human Mps1 kinase domain with ordered activation loop | | 分子名称: | CHLORIDE ION, Dual specificity protein kinase TTK, GLYCEROL | | 著者 | Roorda, J.C, Hiruma, Y, Joosten, R.P, Perrakis, A. | | 登録日 | 2018-06-21 | | 公開日 | 2019-01-09 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.41 Å) | | 主引用文献 | A crystal structure of the human protein kinase Mps1 reveals an ordered conformation of the activation loop.
Proteins, 87, 2019
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3DE4
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6GWN
 | | Crystal Structure of Stabilized Active Plasminogen Activator Inhibitor-1 (PAI-1-W175F) in Complex with Two Inhibitory Nanobodies (VHH-2g-42, VHH-2w-64) | | 分子名称: | Plasminogen activator inhibitor 1, VHH-2g-42, VHH-2w-64 | | 著者 | Sillen, M, Weeks, S.D, Strelkov, S.V, Declerck, P.J. | | 登録日 | 2018-06-25 | | 公開日 | 2020-01-01 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.03 Å) | | 主引用文献 | Molecular mechanism of two nanobodies that inhibit PAI-1 activity reveals a modulation at distinct stages of the PAI-1/plasminogen activator interaction.
J.Thromb.Haemost., 18, 2020
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6SQN
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3DH5
 | | Crystal structure of bovine pancreatic ribonuclease A (wild-type) | | 分子名称: | CHLORIDE ION, Ribonuclease pancreatic, SULFATE ION | | 著者 | Kurpiewska, K, Font, J, Ribo, M, Vilanova, M, Lewinski, K. | | 登録日 | 2008-06-17 | | 公開日 | 2008-07-15 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | X-ray crystallographic studies of RNase A variants engineered at the most destabilizing positions of the main hydrophobic core: further insight into protein stability
Proteins, 77, 2009
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8BEM
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