7DRP
| Structure of ATP-grasp ligase PsnB complexed with phosphomimetic variant of minimal precursor, Mg, and ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ATP-grasp domain-containing protein, MAGNESIUM ION, ... | Authors: | Song, I, Yu, J, Song, W, Kim, S. | Deposit date: | 2020-12-29 | Release date: | 2021-09-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.98 Å) | Cite: | Molecular mechanism underlying substrate recognition of the peptide macrocyclase PsnB. Nat.Chem.Biol., 17, 2021
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3TXK
| HEWL co-crystallization with cisplatin in DMSO media with paratone as the cryoprotectant at pH 6.5 | Descriptor: | CHLORIDE ION, Cisplatin, DIMETHYL SULFOXIDE, ... | Authors: | Tanley, S.W.M, Schreurs, A.M.M, Helliwell, J.R, Kroon-Batenburg, L.M.J. | Deposit date: | 2011-09-23 | Release date: | 2013-01-30 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Experience with exchange and archiving of raw data: comparison of data from two diffractometers and four software packages on a series of lysozyme crystals. J.Appl.Crystallogr., 46, 2013
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7DRO
| Structure of ATP-grasp ligase PsnB complexed with minimal precursor | Descriptor: | ATP-grasp domain-containing protein, PsnA214-38, Precursor peptide | Authors: | Song, I, Yu, J, Song, W, Kim, S. | Deposit date: | 2020-12-29 | Release date: | 2021-09-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.25 Å) | Cite: | Molecular mechanism underlying substrate recognition of the peptide macrocyclase PsnB. Nat.Chem.Biol., 17, 2021
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7DRN
| Structure of ATP-grasp ligase PsnB complexed with precursor peptide PsnA2 and AMPPNP | Descriptor: | ATP-grasp domain-containing protein, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, PsnA214-38, ... | Authors: | Song, I, Yu, J, Song, W, Kim, S. | Deposit date: | 2020-12-29 | Release date: | 2021-09-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.56 Å) | Cite: | Molecular mechanism underlying substrate recognition of the peptide macrocyclase PsnB. Nat.Chem.Biol., 17, 2021
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7DRM
| Structure of ATP-grasp ligase PsnB complexed with minimal precursor, Mg, and ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ATP-grasp domain-containing protein, MAGNESIUM ION, ... | Authors: | Song, I, Yu, J, Song, W, Kim, S. | Deposit date: | 2020-12-29 | Release date: | 2021-09-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.28 Å) | Cite: | Molecular mechanism underlying substrate recognition of the peptide macrocyclase PsnB. Nat.Chem.Biol., 17, 2021
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7DO4
| Crystal structure of CD97-CD55 complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Niu, M, Song, G. | Deposit date: | 2020-12-11 | Release date: | 2021-09-22 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structural basis for CD97 recognition of the decay-accelerating factor CD55 suggests mechanosensitive activation of adhesion GPCRs. J.Biol.Chem., 296, 2021
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3U6H
| Crystal structure of c-Met in complex with pyrazolone inhibitor 26 | Descriptor: | Hepatocyte growth factor receptor, N-{4-[(6,7-dimethoxyquinolin-4-yl)oxy]-3-fluorophenyl}-1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxamide | Authors: | Bellon, S.F, Whittington, D.A, Long, A.L. | Deposit date: | 2011-10-12 | Release date: | 2012-02-22 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure-based design of novel class II c-Met inhibitors: 1. Identification of pyrazolone-based derivatives. J.Med.Chem., 55, 2012
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6SJV
| Structure of HPV18 E6 oncoprotein in complex with mutant E6AP LxxLL motif | Descriptor: | Maltodextrin-binding protein,Protein E6,Ubiquitin-protein ligase E3A, ZINC ION, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | Authors: | Suarez, I.P, Cousido-Siah, A, Bonhoure, A, Kostmann, C, Mitschler, A, Podjarny, A, Trave, G. | Deposit date: | 2019-08-14 | Release date: | 2019-09-04 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.029 Å) | Cite: | Cellular target recognition by HPV18 and HPV49 oncoproteins To be published
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5TCF
| Crystal structure of tryptophan synthase from M. tuberculosis - ligand-free form | Descriptor: | FORMIC ACID, MALONATE ION, POTASSIUM ION, ... | Authors: | Michalska, K, Maltseva, N, Jedrzejczak, R, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2016-09-15 | Release date: | 2017-05-31 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.46 Å) | Cite: | A small-molecule allosteric inhibitor of Mycobacterium tuberculosis tryptophan synthase. Nat. Chem. Biol., 13, 2017
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4EK1
| Crystal Structure of Electron-Spin Labeled Cytochrome P450cam | Descriptor: | CAMPHOR, Camphor 5-monooxygenase, POTASSIUM ION, ... | Authors: | Lee, Y.-T, Goodin, D.B. | Deposit date: | 2012-04-08 | Release date: | 2012-07-25 | Last modified: | 2012-08-29 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Double electron-electron resonance shows cytochrome P450cam undergoes a conformational change in solution upon binding substrate. Proc.Natl.Acad.Sci.USA, 109, 2012
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3H5W
| Crystal structure of the GluR2-ATD in space group P212121 without solvent | Descriptor: | Glutamate receptor 2 | Authors: | Jin, R, Singh, S.K, Gu, S, Furukawa, H, Sobolevsky, A, Zhou, J, Jin, Y, Gouaux, E. | Deposit date: | 2009-04-22 | Release date: | 2009-06-09 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.686 Å) | Cite: | Crystal structure and association behaviour of the GluR2 amino-terminal domain. Embo J., 28, 2009
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3RNI
| CDK2 in complex with inhibitor RC-3-86 | Descriptor: | 3-[(4-amino-5-benzoyl-1,3-thiazol-2-yl)amino]benzenesulfonamide, Cyclin-dependent kinase 2 | Authors: | Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E. | Deposit date: | 2011-04-22 | Release date: | 2012-10-31 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases. J.Med.Chem., 56, 2013
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4KYN
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7DPI
| Plasmodium falciparum cytoplasmic Phenylalanyl-tRNA synthetase in complex with BRD7929 | Descriptor: | (8R,9S,10S)-10-[(dimethylamino)methyl]-N-(4-methoxyphenyl)-9-[4-(2-phenylethynyl)phenyl]-1,6-diazabicyclo[6.2.0]decane-6-carboxamide, MAGNESIUM ION, Phenylalanine--tRNA ligase, ... | Authors: | Manmohan, S, Malhotra, N, Harlos, K, Manickam, Y, Sharma, A. | Deposit date: | 2020-12-19 | Release date: | 2022-03-23 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (3.597 Å) | Cite: | Inhibition of Plasmodium falciparum phenylalanine tRNA synthetase provides opportunity for antimalarial drug development. Structure, 30, 2022
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2L8H
| Chemical probe bound to HIV TAR RNA | Descriptor: | 4-methoxynaphthalen-2-amine, ARGININE, HIV TAR RNA | Authors: | Davidson, A, Begley, D, Lau, C, Varani, G. | Deposit date: | 2011-01-12 | Release date: | 2011-03-23 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | A Small-Molecule Probe Induces a Conformation in HIV TAR RNA Capable of Binding Drug-Like Fragments. J.Mol.Biol., 410, 2011
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3RAL
| CDK2 in complex with inhibitor RC-2-34 | Descriptor: | 4-{[4-amino-5-(3-methoxybenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide, Cyclin-dependent kinase 2 | Authors: | Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E. | Deposit date: | 2011-03-28 | Release date: | 2012-10-31 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases. J.Med.Chem., 56, 2013
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2L94
| Structure of the HIV-1 frameshift site RNA bound to a small molecule inhibitor of viral replication | Descriptor: | N'-{(Z)-amino[4-(amino{[3-(dimethylammonio)propyl]iminio}methyl)phenyl]methylidene}-N,N-dimethylpropane-1,3-diaminium, RNA_(45-MER) | Authors: | Marcheschi, R.J, Tonelli, M, Kumar, A, Butcher, S.E. | Deposit date: | 2011-01-29 | Release date: | 2011-06-15 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structure of the HIV-1 Frameshift Site RNA Bound to a Small Molecule Inhibitor of Viral Replication. Acs Chem.Biol., 6, 2011
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4FBP
| CONFORMATIONAL TRANSITION OF FRUCTOSE-1,6-BISPHOSPHATASE: STRUCTURE COMPARISON BETWEEN THE AMP COMPLEX (T FORM) AND THE FRUCTOSE 6-PHOSPHATE COMPLEX (R FORM) | Descriptor: | ADENOSINE MONOPHOSPHATE, FRUCTOSE 1,6-BISPHOSPHATASE | Authors: | Ke, H, Zhang, Y, Liang, J.-Y, Lipscomb, W.N. | Deposit date: | 1991-02-11 | Release date: | 1992-07-15 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Conformational transition of fructose-1,6-bisphosphatase: structure comparison between the AMP complex (T form) and the fructose 6-phosphate complex (R form). Biochemistry, 30, 1991
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3RAH
| CDK2 in complex with inhibitor RC-2-22 | Descriptor: | Cyclin-dependent kinase 2, [4-amino-2-(cyclohexylamino)-1,3-thiazol-5-yl](naphthalen-2-yl)methanone | Authors: | Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E. | Deposit date: | 2011-03-28 | Release date: | 2012-10-31 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases. J.Med.Chem., 56, 2013
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4FIK
| Human carbonic anhydrase II H64A complexed with thioxolone hydrolysis products | Descriptor: | 2,4-dihydroxybenzenesulfenic acid, 4,4'-disulfanediyldibenzene-1,3-diol, 4-MERCAPTOBENZENE-1,3-DIOL, ... | Authors: | Sippel, K.H, Genis, C, Govindasamy, L, Agbandje-McKenna, M, Tripp, B.C, McKenna, R. | Deposit date: | 2012-06-08 | Release date: | 2012-06-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Synchrotron Radiation Provides a Plausible Explanation for the Generation of a Free Radical Adduct of Thioxolone in Mutant Carbonic Anhydrase II. J Phys Chem Lett, 1, 2010
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5UU7
| Tetragonal thermolysin (295 K) in the presence of 50% mpd | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, ... | Authors: | Juers, D.H. | Deposit date: | 2017-02-16 | Release date: | 2017-03-08 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.60001385 Å) | Cite: | The impact of cryosolution thermal contraction on proteins and protein crystals: volumes, conformation and order. Acta Crystallogr D Struct Biol, 74, 2018
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5UUE
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3PI8
| Site-specific Glycosylation of Hemoglobin Utilizing Oxime Ligation Chemistry as a Viable Alternative to PEGylation | Descriptor: | CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | Authors: | Bhatt, V.S, Styslinger, T.J, Zhang, N, Wang, P.G, Palmer, A.F. | Deposit date: | 2010-11-05 | Release date: | 2010-11-24 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: |
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5JJQ
| Crystal structure of IdnL1 | Descriptor: | 5'-O-[(R)-{[(3S)-3-aminobutanoyl]oxy}(hydroxy)phosphoryl]adenosine, AMP-dependent synthetase and ligase, CHLORIDE ION | Authors: | Cieslak, J, Miyanaga, A, Kudo, F, Eguchi, T. | Deposit date: | 2016-04-25 | Release date: | 2017-03-22 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Biochemical characterization and structural insight into aliphatic beta-amino acid adenylation enzymes IdnL1 and CmiS6 Proteins, 85, 2017
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6E8O
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