6VEL
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6RCM
| Human protein kinase CK2 alpha in complex with 2-cyano-2-propenamide compound 3 | Descriptor: | (~{E})-~{N}-(5-~{tert}-butyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enamide, 1,2-ETHANEDIOL, Casein kinase II subunit alpha, ... | Authors: | Dalle Vedove, A, Zanforlin, E, Ribaudo, G, Zagotto, G, Battistutta, R, Lolli, G. | Deposit date: | 2019-04-11 | Release date: | 2020-04-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | A novel class of selective CK2 inhibitors targeting its open hinge conformation. Eur.J.Med.Chem., 195, 2020
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6RFE
| Human protein kinase CK2 alpha in complex with 2-cyano-2-propenamide compound 4 | Descriptor: | (~{E})-~{N}-(5-bromanyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enamide, 1,2-ETHANEDIOL, Casein kinase II subunit alpha, ... | Authors: | Dalle Vedove, A, Zanforlin, E, Ribaudo, G, Zagotto, G, Battistutta, R, Lolli, G. | Deposit date: | 2019-04-13 | Release date: | 2020-04-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | A novel class of selective CK2 inhibitors targeting its open hinge conformation. Eur.J.Med.Chem., 195, 2020
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6RFF
| Human protein kinase CK2 alpha in complex with 2-cyano-2-propenamide compound 7 | Descriptor: | (~{E})-~{N}-(5-bromanyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-(3-nitro-4-oxidanyl-phenyl)prop-2-enamide, 1,2-ETHANEDIOL, Casein kinase II subunit alpha, ... | Authors: | Dalle Vedove, A, Zanforlin, E, Ribaudo, G, Zagotto, G, Battistutta, R, Lolli, G. | Deposit date: | 2019-04-14 | Release date: | 2020-04-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | A novel class of selective CK2 inhibitors targeting its open hinge conformation. Eur.J.Med.Chem., 195, 2020
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1ELY
| E. COLI ALKALINE PHOSPHATASE MUTANT (S102C) | Descriptor: | ALKALINE PHOSPHATASE, MAGNESIUM ION, PHOSPHATE ION, ... | Authors: | Stec, B, Hehir, M, Brennan, C, Nolte, M, Kantrowitz, E.R. | Deposit date: | 1998-02-10 | Release date: | 1998-05-27 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Kinetic and X-ray structural studies of three mutant E. coli alkaline phosphatases: insights into the catalytic mechanism without the nucleophile Ser102. J.Mol.Biol., 277, 1998
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1ELX
| E. COLI ALKALINE PHOSPHATASE MUTANT (S102A) | Descriptor: | ALKALINE PHOSPHATASE, MAGNESIUM ION, PHOSPHATE ION, ... | Authors: | Stec, B, Hehir, M, Brennan, C, Nolte, M, Kantrowitz, E.R. | Deposit date: | 1998-02-10 | Release date: | 1998-05-27 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Kinetic and X-ray structural studies of three mutant E. coli alkaline phosphatases: insights into the catalytic mechanism without the nucleophile Ser102. J.Mol.Biol., 277, 1998
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6SSZ
| Structure of the Plasmodium falciparum falcipain 2 protease in complex with an (E)-chalcone inhibitor. | Descriptor: | (~{E})-3-(1,3-benzodioxol-5-yl)-1-(3-nitrophenyl)prop-2-en-1-one, Cysteine proteinase falcipain 2a | Authors: | Machin, J, Kantsadi, A, Vakonakis, I. | Deposit date: | 2019-09-09 | Release date: | 2019-12-04 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.45 Å) | Cite: | The complex of Plasmodium falciparum falcipain-2 protease with an (E)-chalcone-based inhibitor highlights a novel, small, molecule-binding site. Malar.J., 18, 2019
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2I5J
| Crystal structure of HIV-1 reverse transcriptase (RT) in complex with DHBNH, an RNASE H inhibitor | Descriptor: | (E)-3,4-DIHYDROXY-N'-[(2-METHOXYNAPHTHALEN-1-YL)METHYLENE]BENZOHYDRAZIDE, MAGNESIUM ION, Reverse transcriptase/ribonuclease H P51 subunit, ... | Authors: | Himmel, D.M, Sarafianos, S.G, Knight, J.L, Levy, R.M, Arnold, E. | Deposit date: | 2006-08-24 | Release date: | 2006-12-05 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | HIV-1 reverse transcriptase structure with RNase H inhibitor dihydroxy benzoyl naphthyl hydrazone bound at a novel site. Acs Chem.Biol., 1, 2006
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7K5A
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1QOY
| E.coli Hemolysin E (HlyE, ClyA, SheA) | Descriptor: | HEMOLYSIN E, SULFATE ION | Authors: | Wallace, A.J, Stillman, T.J, Atkins, A, Jamieson, S.J, Bullough, P.A, Green, J, Artymiuk, P.J. | Deposit date: | 1999-11-25 | Release date: | 2000-01-23 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | E. Coli Hemolysin E (Hlye, Clya, Shea): X-Ray Crystal Structure of the Toxin and Observation of Membrane Pores by Electron Microscopy Cell(Cambridge,Mass.), 100, 2000
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1BDX
| E. COLI DNA HELICASE RUVA WITH BOUND DNA HOLLIDAY JUNCTION, ALPHA CARBONS AND PHOSPHATE ATOMS ONLY | Descriptor: | DNA (5'-D(P*GP*CP*AP*TP*GP*CP*AP*TP*AP*TP*GP*CP*AP*TP*GP*C)-3'), HOLLIDAY JUNCTION DNA HELICASE RUVA | Authors: | Hargreaves, D, Rice, D.W, Sedelnikova, S.E, Artymiuk, P.J, Lloyd, R.G, Rafferty, J.B. | Deposit date: | 1998-05-11 | Release date: | 1999-11-24 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (6 Å) | Cite: | Crystal structure of E.coli RuvA with bound DNA Holliday junction at 6 A resolution. Nat.Struct.Biol., 5, 1998
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3GQL
| Crystal Structure of activated receptor tyrosine kinase in complex with substrates | Descriptor: | (E)-[4-(3,5-difluorophenyl)-3H-pyrrolo[2,3-b]pyridin-3-ylidene](3-methoxyphenyl)methanol, Basic fibroblast growth factor receptor 1 | Authors: | Bae, J.H, Lew, E.D, Yuzawa, S, Tome, F, Lax, I, Schlessinger, J. | Deposit date: | 2009-03-24 | Release date: | 2009-08-18 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | The selectivity of receptor tyrosine kinase signaling is controlled by a secondary SH2 domain binding site. Cell(Cambridge,Mass.), 138, 2009
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4D7Z
| E. coli L-aspartate-alpha-decarboxylase mutant N72Q to a resolution of 1.9 Angstroms | Descriptor: | ASPARTATE 1-DECARBOXYLASE ALPHA CHAIN, ASPARTATE 1-DECARBOXYLASE BETA CHAIN, DI(HYDROXYETHYL)ETHER, ... | Authors: | Bravo, J.P.K, Monteiro, D.C.F, Webb, M.E, Pearson, A.R. | Deposit date: | 2014-12-02 | Release date: | 2016-01-13 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The Structure of the E. Coli L-Aspartate-Alpha-Decarboxylase Mutant N72Q to a Resolution of 1.9 Angstroms To be Published
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3AAS
| Bovine beta-trypsin bound to meta-guanidino schiff base copper (II) chelate | Descriptor: | (E)-N-[(5-carbamimidamido-2-hydroxyphenyl)methylidene]-L-alanine, CALCIUM ION, COPPER (II) ION, ... | Authors: | Iyaguchi, D, Kawano, S, Toyota, E. | Deposit date: | 2009-11-26 | Release date: | 2010-04-07 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural basis for the design of novel Schiff base metal chelate inhibitors of trypsin Bioorg.Med.Chem., 18, 2010
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6P9U
| Crystal structure of human thrombin mutant W215A | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Prothrombin, ZINC ION | Authors: | Pelc, L.A, Koester, S.K, Chen, Z, Di Cera, E. | Deposit date: | 2019-06-10 | Release date: | 2019-09-04 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Residues W215, E217 and E192 control the allosteric E*-E equilibrium of thrombin. Sci Rep, 9, 2019
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1EEO
| CRYSTAL STRUCTURE OF PROTEIN TYROSINE PHOSPHATASE 1B COMPLEXED WITH ACETYL-E-L-E-F-PTYR-M-D-Y-E-NH2 | Descriptor: | ACETYL-E-L-E-F-PTYR-M-D-Y-E-NH2 PEPTIDE, MAGNESIUM ION, PROTEIN TYROSINE PHOSPHATASE 1B | Authors: | Sarmiento, M, Puius, Y.A, Vetter, S.W, Lawrence, D.S, Almo, S.C, Zhang, Z.Y. | Deposit date: | 2000-02-01 | Release date: | 2001-02-01 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural basis of plasticity in protein tyrosine phosphatase 1B substrate recognition. Biochemistry, 39, 2000
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7ZQN
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7ZQO
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2SPZ
| STAPHYLOCOCCAL PROTEIN A, Z-DOMAIN, NMR, 10 STRUCTURES | Descriptor: | IMMUNOGLOBULIN G BINDING PROTEIN A | Authors: | Montelione, G.T, Tashiro, M, Tejero, R, Lyons, B.A. | Deposit date: | 1998-07-29 | Release date: | 1998-08-05 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | High-resolution solution NMR structure of the Z domain of staphylococcal protein A. J.Mol.Biol., 272, 1997
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9IY2
| Immune complex of HEV-E2s, nAb 8C11 and nAb 8H3 | Descriptor: | Heavy Chain of mAb 8C11, Heavy Chain of mAb 8H3, Light Chain of mAb 8C11, ... | Authors: | Minghua, Z, Lizhi, Z, Ying, G, Shaowei, L. | Deposit date: | 2024-07-29 | Release date: | 2024-08-28 | Last modified: | 2024-09-04 | Method: | X-RAY DIFFRACTION (3.476 Å) | Cite: | Structural basis for the synergetic neutralization of hepatitis E virus by antibody-antibody interaction To Be Published
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4V69
| Ternary complex-bound E.coli 70S ribosome. | Descriptor: | 16S rRNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | Authors: | Villa, E, Sengupta, J, Trabuco, L.G, LeBarron, J, Baxter, W.T, Shaikh, T.R, Grassucci, R.A, Nissen, P, Ehrenberg, M, Schulten, K, Frank, J. | Deposit date: | 2008-12-11 | Release date: | 2014-07-09 | Last modified: | 2024-02-28 | Method: | ELECTRON MICROSCOPY (6.7 Å) | Cite: | Ribosome-induced changes in elongation factor Tu conformation control GTP hydrolysis Proc.Natl.Acad.Sci.USA, 106, 2009
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1O6T
| Internalin (INLA, Listeria monocytogenes) - functional domain, uncomplexed | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ... | Authors: | Schubert, W.-D, Urbanke, C, Ziehm, T, Beier, V, Machner, M.P, Domann, E, Wehland, J, Chakraborty, T, Heinz, D.W. | Deposit date: | 2002-10-15 | Release date: | 2002-12-23 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structure of Internalin, a Major Invasion Protein of Listeria Monocytogenes, in Complex with its Human Receptor E-Cadherin Cell(Cambridge,Mass.), 111, 2002
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9BC6
| HCN1 M305L with propofol | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2,6-BIS(1-METHYLETHYL)PHENOL, Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 1 | Authors: | Kim, E.D, Nimigean, C.M. | Deposit date: | 2024-04-07 | Release date: | 2024-07-31 | Last modified: | 2024-08-21 | Method: | ELECTRON MICROSCOPY (2.5 Å) | Cite: | Propofol rescues voltage-dependent gating of HCN1 channel epilepsy mutants. Nature, 632, 2024
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9BC7
| HCN1 M305L holo | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 1 | Authors: | Kim, E.D, Nimigean, C.M. | Deposit date: | 2024-04-08 | Release date: | 2024-07-31 | Last modified: | 2024-08-21 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Propofol rescues voltage-dependent gating of HCN1 channel epilepsy mutants. Nature, 632, 2024
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5IO1
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