5OK3
| Crystal Structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compounds RKp241 and Fasudil | Descriptor: | 5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE, UPF0418 protein FAM164A, cAMP-dependent protein kinase catalytic subunit alpha | Authors: | Mueller, J.M, Heine, A, Klebe, G. | Deposit date: | 2017-07-25 | Release date: | 2018-08-08 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.588 Å) | Cite: | Diamondoid Amino Acid-Based Peptide Kinase A Inhibitor Analogues. Chemmedchem, 14, 2019
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3QFP
| Crystal structure of yeast Hsp70 (Bip/Kar2) ATPase domain | Descriptor: | 78 kDa glucose-regulated protein homolog, PHOSPHATE ION | Authors: | Yan, M, Li, J.Z, Sha, B.D. | Deposit date: | 2011-01-22 | Release date: | 2011-06-29 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Structural analysis of the Sil1-Bip complex reveals the mechanism for Sil1 to function as a nucleotide-exchange factor. Biochem.J., 438, 2011
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3QIH
| HIV-1 protease (mutant Q7K L33I L63I) in complex with a novel inhibitor | Descriptor: | (4aS,7aS)-1,4-bis(3-hydroxybenzyl)hexahydro-1H-pyrrolo[3,4-b]pyrazine-2,3-dione, CHLORIDE ION, Protease, ... | Authors: | Lindemann, I, Heine, A, Klebe, G. | Deposit date: | 2011-01-27 | Release date: | 2012-02-01 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.39 Å) | Cite: | Novel inhibitors for HIV-1 protease To be Published
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3QK3
| Crystal structure of human beta-crystallin B3 | Descriptor: | 1,2-ETHANEDIOL, Beta-crystallin B3, SULFATE ION | Authors: | Krojer, T, Gileadi, C, Cocking, R, Muniz, J, Pilka, E, Yue, W.W, Vollmar, M, Pike, A.C.W, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Kavanagh, K, Oppermann, U, Structural Genomics Consortium (SGC) | Deposit date: | 2011-01-31 | Release date: | 2011-02-23 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: |
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7V9U
| Cryo-EM structure of E.coli retron-Ec86 (RT-msDNA-RNA) at 3.2 angstrom | Descriptor: | DNA (105-MER), RNA (5'-R(P*CP*GP*UP*AP*AP*GP*GP*G)-3'), RNA (81-MER), ... | Authors: | Wang, Y.J, Guan, Z.Y, Zou, T.T. | Deposit date: | 2021-08-26 | Release date: | 2022-08-31 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.12 Å) | Cite: | Cryo-EM structures of Escherichia coli Ec86 retron complexes reveal architecture and defence mechanism. Nat Microbiol, 7, 2022
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7V9X
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5OUL
| The crystal structure of CK2alpha in complex with compound 9 | Descriptor: | ACETATE ION, Casein kinase II subunit alpha, [3-chloranyl-4-(3-fluorophenyl)phenyl]methanamine, ... | Authors: | Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D. | Deposit date: | 2017-08-24 | Release date: | 2018-02-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.34 Å) | Cite: | Second-generation CK2 alpha inhibitors targeting the alpha D pocket. Chem Sci, 9, 2018
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5OWH
| High salt structure of human protein kinase CK2alpha in complex with 3-aminopropyl-4,5,6,7-tetrabromobenzimidazol | Descriptor: | 3-[4,5,6,7-tetrakis(bromanyl)benzimidazol-1-yl]propan-1-amine, CHLORIDE ION, Casein kinase II subunit alpha | Authors: | Niefind, K, Bretner, M, Chojnacki, C. | Deposit date: | 2017-09-01 | Release date: | 2018-07-25 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Biological properties and structural study of new aminoalkyl derivatives of benzimidazole and benzotriazole, dual inhibitors of CK2 and PIM1 kinases. Bioorg. Chem., 80, 2018
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3QE8
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3QIO
| Crystal Structure of HIV-1 RNase H with engineered E. coli loop and N-hydroxy quinazolinedione inhibitor | Descriptor: | 3-hydroxy-6-(phenylsulfonyl)quinazoline-2,4(1H,3H)-dione, Gag-Pol polyprotein,Ribonuclease HI,Gag-Pol polyprotein, MANGANESE (II) ION, ... | Authors: | Lansdon, E.B, Liu, Q. | Deposit date: | 2011-01-27 | Release date: | 2011-04-20 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.4011 Å) | Cite: | Structural and Binding Analysis of Pyrimidinol Carboxylic Acid and N-Hydroxy Quinazolinedione HIV-1 RNase H Inhibitors. Antimicrob.Agents Chemother., 55, 2011
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7VB1
| The 0.90 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with trans-vaccenic acid | Descriptor: | Fatty acid-binding protein, heart, HEXAETHYLENE GLYCOL, ... | Authors: | Sugiyama, S, Kakinouchi, K, Nakano, R, Matsuoka, S, Tsuchikawa, H, Sonoyama, M, Inoue, Y, Hayashi, F, Murata, M. | Deposit date: | 2021-08-30 | Release date: | 2022-09-07 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (0.9 Å) | Cite: | The 0.90 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with trans-vaccenic acid To Be Published
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3QKG
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3QFW
| Crystal structure of Rubisco-like protein from Rhodopseudomonas palustris | Descriptor: | Ribulose-1,5-bisphosphate carboxylase/oxygenase large subunit, SULFATE ION | Authors: | Fedorov, A.A, Fedorov, E.V, Gerlt, J.A, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2011-01-23 | Release date: | 2011-02-09 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.789 Å) | Cite: | Crystal structure of Rubisco-like protein from Rhodopseudomonas palustris To be Published
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3QIN
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3QPJ
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7VDN
| High resolution crystal structure of Sperm Whale Myoglobin in the carbonmonoxy form | Descriptor: | CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Shibayama, N, Sato-Tomita, A, Ishimoto, N, Park, S.Y. | Deposit date: | 2021-09-07 | Release date: | 2022-09-14 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (0.93 Å) | Cite: | X-ray fluorescence holography of biological metal sites: Application to myoglobin. Biochem.Biophys.Res.Commun., 635, 2022
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5OQ6
| Structure of CHK1 12-pt. mutant complex with aminopyrimido-benzodiazepinone LRRK2 inhibitor | Descriptor: | 2-[(2-methoxy-4-{[4-(4-methylpiperazin-1-yl)piperidin-1-yl]carbonyl}phenyl)amino]-5,11-dimethyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one, CHLORIDE ION, Serine/threonine-protein kinase Chk1 | Authors: | Dokurno, P, Williamson, D.S, Acheson-Dossang, P, Chen, I, Murray, J.B, Shaw, T, Surgenor, A.E. | Deposit date: | 2017-08-10 | Release date: | 2017-10-25 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Design of Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Crystallographic Surrogate Derived from Checkpoint Kinase 1 (CHK1). J. Med. Chem., 60, 2017
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3QFU
| Crystal structure of Yeast Hsp70 (Bip/kar2) complexed with ADP | Descriptor: | 78 kDa glucose-regulated protein homolog, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Yan, M, Li, J.Z, Sha, B.D. | Deposit date: | 2011-01-22 | Release date: | 2011-06-29 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural analysis of the Sil1-Bip complex reveals the mechanism for Sil1 to function as a nucleotide-exchange factor. Biochem.J., 438, 2011
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3QGJ
| 1.3A Structure of alpha-Lytic Protease Bound to Ac-AlaAlaPro-Alanal | Descriptor: | 1,2-ETHANEDIOL, Ac-AlaAlaPro-Alanal peptide, Alpha-lytic protease, ... | Authors: | Everill, P, Meinke, G, Bohm, A, Bachovchin, W. | Deposit date: | 2011-01-24 | Release date: | 2012-02-01 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Substrate Binding Defines Ser195 Position in the Catalytic Triad of Serine Proteases, Not His57 protonation To be Published
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5ORP
| Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment | Descriptor: | 1-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepane, ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, ... | Authors: | McIntyre, P.J, Collins, P.M, von Delft, F, Bayliss, R. | Deposit date: | 2017-08-16 | Release date: | 2017-11-01 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Characterization of Three Druggable Hot-Spots in the Aurora-A/TPX2 Interaction Using Biochemical, Biophysical, and Fragment-Based Approaches. ACS Chem. Biol., 12, 2017
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5OUS
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5OS1
| Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment | Descriptor: | 6-ethoxy-2-methyl-1,3-benzothiazole, ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, ... | Authors: | McIntyre, P.J, Collins, P.M, von Delft, F, Bayliss, R. | Deposit date: | 2017-08-16 | Release date: | 2017-11-01 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Characterization of Three Druggable Hot-Spots in the Aurora-A/TPX2 Interaction Using Biochemical, Biophysical, and Fragment-Based Approaches. ACS Chem. Biol., 12, 2017
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7VKL
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3QRV
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5OT5
| The crystal structure of CK2alpha in complex with compound 24 | Descriptor: | ACETATE ION, Casein kinase II subunit alpha, DI(HYDROXYETHYL)ETHER, ... | Authors: | Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D. | Deposit date: | 2017-08-21 | Release date: | 2018-02-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Second-generation CK2 alpha inhibitors targeting the alpha D pocket. Chem Sci, 9, 2018
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