6VCO
 
 | | Crystal structure of E.coli RppH in complex with ppcpA | | Descriptor: | DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, RNA pyrophosphohydrolase | | Authors: | Gao, A, Vasilyev, N, Kaushik, A, Duan, W, Serganov, A. | | Deposit date: | 2019-12-21 | | Release date: | 2020-02-05 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Principles of RNA and nucleotide discrimination by the RNA processing enzyme RppH.
Nucleic Acids Res., 48, 2020
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6VCL
 | | Crystal structure of E.coli RppH-DapF in complex with pppGpp, Mg2+ and F- | | Descriptor: | CHLORIDE ION, Diaminopimelate epimerase, FLUORIDE ION, ... | | Authors: | Gao, A, Vasilyev, N, Kaushik, A, Duan, W, Serganov, A. | | Deposit date: | 2019-12-21 | | Release date: | 2020-02-05 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | Principles of RNA and nucleotide discrimination by the RNA processing enzyme RppH.
Nucleic Acids Res., 48, 2020
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6VCR
 | | Crystal structure of E.coli RppH in complex with CTP | | Descriptor: | CYTIDINE-5'-TRIPHOSPHATE, PYROPHOSPHATE, RNA pyrophosphohydrolase, ... | | Authors: | Gao, A, Vasilyev, N, Kaushik, A, Duan, W, Serganov, A. | | Deposit date: | 2019-12-21 | | Release date: | 2020-02-05 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Principles of RNA and nucleotide discrimination by the RNA processing enzyme RppH.
Nucleic Acids Res., 48, 2020
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6VEK
 | | Contact-dependent growth inhibition toxin-immunity protein complex from from E. coli 3006, full-length | | Descriptor: | contact-dependent immunity protein CdiI, contact-dependent toxin CdiA | | Authors: | Michalska, K, Stols, L, Eschenfeldt, W, Hayes, C.S, Goulding, C.W, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Structure-Function Analysis of Polymorphic CDI Toxin-Immunity Protein Complexes (UC4CDI), Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2020-01-02 | | Release date: | 2021-01-27 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Contact-dependent growth inhibition toxin-immunity protein complex from from E. coli 3006, full-length
To Be Published
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1NH5
 | | AUTOMATIC ASSIGNMENT OF NMR DATA AND DETERMINATION OF THE PROTEIN STRUCTURE OF A NEW WORLD SCORPION NEUROTOXIN USING NOAH/DIAMOD | | Descriptor: | Neurotoxin 5 | | Authors: | Xu, Y, Jablonsky, M.J, Jackson, P.L, Krishna, N.R, Braun, W. | | Deposit date: | 2002-12-18 | | Release date: | 2003-01-07 | | Last modified: | 2018-01-24 | | Method: | SOLUTION NMR | | Cite: | Automatic assignment of NOESY Cross peaks and determination of the protein structure of a new world scorpion neurotoxin Using NOAH/DIAMOD
J.Magn.Reson., 148, 2001
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7BP2
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2C8Z
 | | thrombin inhibitors | | Descriptor: | 1-(3-CHLOROPHENYL)METHANAMINE, DIMETHYL SULFOXIDE, HIRUDIN VARIANT-2, ... | | Authors: | Howard, N, Abell, C, Blakemore, W, Carr, R, Chessari, G, Congreve, M, Howard, S, Jhoti, H, Murray, C.W, Seavers, L.C.A, van Montfort, R.L.M. | | Deposit date: | 2005-12-08 | | Release date: | 2006-07-04 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Application of Fragment Screening and Fragment Linking to the Discovery of Novel Thrombin Inhibitors
J.Med.Chem., 49, 2006
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2C93
 | | thrombin inhibitors | | Descriptor: | DIMETHYL SULFOXIDE, HIRUDIN VARIANT-2, N-[(2R,3S)-3-AMINO-2-HYDROXY-4-PHENYLBUTYL]-4-METHOXY-2,3,6-TRIMETHYLBENZENESULFONAMIDE, ... | | Authors: | Howard, N, Abell, C, Blakemore, W, Carr, R, Chessari, G, Congreve, M, Howard, S, Jhoti, H, Murray, C.W, Seavers, L.C.A, van Montfort, R.L.M. | | Deposit date: | 2005-12-09 | | Release date: | 2006-07-04 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Application of Fragment Screening and Fragment Linking to the Discovery of Novel Thrombin Inhibitors
J.Med.Chem., 49, 2006
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1YOE
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2BQ2
 | | Solution Structure of the DNA Duplex ACGCGU-NA with a 2' Amido-Linked Nalidixic Acid Residue at the 3' Terminal Nucleotide | | Descriptor: | 5'-D(*AP*CP*GP*CP*GP*2AU)-3', NALIDIXIC ACID | | Authors: | Siegmund, K, Maheshwary, S, Narayanan, S, Connors, W, Richert, M. | | Deposit date: | 2005-04-26 | | Release date: | 2006-08-03 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Molecular details of quinolone-DNA interactions: solution structure of an unusually stable DNA duplex with covalently linked nalidixic acid residues and non-covalent complexes derived from it.
Nucleic Acids Res., 33, 2005
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1U07
 | | Crystal Structure of the 92-residue C-term. part of TonB with significant structural changes compared to shorter fragments | | Descriptor: | TonB protein | | Authors: | Koedding, J, Killig, F, Polzer, P, Howard, S.P, Diederichs, K, Welte, W. | | Deposit date: | 2004-07-13 | | Release date: | 2004-11-30 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.13 Å) | | Cite: | Crystal structure of a 92-residue c-terminal fragment of TonB from Escherichia coli reveals significant conformational changes compared to structures of smaller TonB fragments
J.Biol.Chem., 280, 2005
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3AMI
 | | The crystal structure of the M16B metallopeptidase subunit from Sphingomonas sp. A1 | | Descriptor: | zinc peptidase | | Authors: | Maruyama, Y, Chuma, A, Mikami, B, Hashimoto, W, Murata, K. | | Deposit date: | 2010-08-20 | | Release date: | 2011-02-02 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Heterosubunit composition and crystal structures of a novel bacterial M16B metallopeptidase
J.Mol.Biol., 407, 2011
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3ANJ
 | | Crystal structure of unsaturated glucuronyl hydrolase from Streptcoccus agalactiae | | Descriptor: | Putative uncharacterized protein gbs1889 | | Authors: | Nakamichi, Y, Maruyama, Y, Mikami, B, Hashimoto, W, Murata, K. | | Deposit date: | 2010-09-02 | | Release date: | 2010-10-06 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structural determinants in streptococcal unsaturated glucuronyl hydrolase for recognition of glycosaminoglycan sulfate groups
J.Biol.Chem., 286, 2011
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3ANK
 | | Crystal structure of unsaturated glucuronyl hydrolase mutant D175N from Streptcoccus agalactiae complexed with dGlcA-GalNAc6S | | Descriptor: | 1,2-ETHANEDIOL, 4-deoxy-alpha-L-threo-hex-4-enopyranuronic acid-(1-3)-2-acetamido-2-deoxy-6-O-sulfo-beta-D-galactopyranose, Putative uncharacterized protein gbs1889 | | Authors: | Nakamichi, Y, Maruyama, Y, Mikami, B, Hashimoto, W, Murata, K. | | Deposit date: | 2010-09-02 | | Release date: | 2010-10-06 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Structural determinants in streptococcal unsaturated glucuronyl hydrolase for recognition of glycosaminoglycan sulfate groups
J.Biol.Chem., 286, 2011
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6VIZ
 | | BRD4_Bromodomain1 complex with pyrrolopyridone compound 27 | | Descriptor: | 4-[2-(2,6-dimethylphenoxy)-5-(ethylsulfonyl)phenyl]-N-ethyl-6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide, Bromodomain-containing protein 4 | | Authors: | Longenecker, K.L, Park, C.H, Qiu, W. | | Deposit date: | 2020-01-14 | | Release date: | 2020-05-06 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.391 Å) | | Cite: | Discovery ofN-Ethyl-4-[2-(4-fluoro-2,6-dimethyl-phenoxy)-5-(1-hydroxy-1-methyl-ethyl)phenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (ABBV-744), a BET Bromodomain Inhibitor with Selectivity for the Second Bromodomain.
J.Med.Chem., 63, 2020
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4YEO
 | | Triclinic HEWL co-crystallised with cisplatin, studied at a data collection temperature of 150K - new refinement | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Cisplatin, ... | | Authors: | Shabalin, I.G, Dauter, Z, Jaskolski, M, Minor, W, Wlodawer, A. | | Deposit date: | 2015-02-24 | | Release date: | 2015-03-04 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (0.98 Å) | | Cite: | Crystallography and chemistry should always go together: a cautionary tale of protein complexes with cisplatin and carboplatin.
Acta Crystallogr.,Sect.D, 71, 2015
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2BU6
 | | crystal structures of human pyruvate dehydrogenase kinase 2 containing physiological and synthetic ligands | | Descriptor: | (N-{4-[(ETHYLANILINO)SULFONYL]-2-METHYLPHENYL}-3,3,3-TRIFLUORO-2-HYDROXY-2-METHYLPROPANAMIDE, PYRUVATE DEHYDROGENASE KINASE ISOENZYME 2 | | Authors: | Knoechel, T.R, Tucker, A.D, Robinson, C.M, Phillips, C, Taylor, W, Bungay, P.J, Kasten, S.A, Roche, T.E, Brown, D.G. | | Deposit date: | 2005-06-08 | | Release date: | 2006-02-02 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Regulatory Roles of the N-Terminal Domain Based on Crystal Structures of Human Pyruvate Dehydrogenase Kinase 2 Containing Physiological and Synthetic Ligands.
Biochemistry, 45, 2006
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8CYA
 | | SARS-CoV-2 Spike protein in complex with a pan-sarbecovirus nanobody 2-67 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Huang, W, Taylor, D. | | Deposit date: | 2022-05-23 | | Release date: | 2022-07-06 | | Last modified: | 2022-07-13 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | Superimmunity by pan-sarbecovirus nanobodies.
Cell Rep, 39, 2022
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3AFL
 | | Crystal structure of exotype alginate lyase Atu3025 H531A complexed with alginate trisaccharide | | Descriptor: | 4-deoxy-alpha-L-erythro-hex-4-enopyranuronic acid-(1-4)-alpha-L-gulopyranuronic acid-(1-4)-alpha-L-gulopyranuronic acid, Oligo alginate lyase | | Authors: | Ochiai, A, Yamasaki, M, Mikami, B, Hashimoto, W, Murata, K. | | Deposit date: | 2010-03-09 | | Release date: | 2010-04-28 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.99 Å) | | Cite: | Crystal structure of exotype alginate lyase Atu3025 from Agrobacterium tumefaciens
J.Biol.Chem., 285, 2010
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8CXQ
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8CY6
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8CU6
 | | Crystal structure of A2AAR-StaR2-S277-bRIL in complex with a novel A2a antagonist, LJ-4517 | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2R,3R,4R)-2-[(8P)-6-amino-2-(hex-1-yn-1-yl)-8-(thiophen-2-yl)-9H-purin-9-yl]oxolane-3,4-diol, Adenosine receptor A2a,Soluble cytochrome b562, ... | | Authors: | Shiriaeva, A, Park, D.-J, Kim, G, Lee, Y, Hou, X, Jarhad, D.B, Kim, G, Yu, J, Hyun, Y.E, Kim, W, Gao, Z.-G, Jacobson, K.A, Han, G.W, Stevens, R.C, Jeong, L.S, Choi, S, Cherezov, V. | | Deposit date: | 2022-05-16 | | Release date: | 2022-08-31 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | GPCR Agonist-to-Antagonist Conversion: Enabling the Design of Nucleoside Functional Switches for the A 2A Adenosine Receptor.
J.Med.Chem., 65, 2022
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8CYC
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3AHT
 | | Crystal structure of rice BGlu1 E176Q mutant in complex with laminaribiose | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Beta-glucosidase 7, SULFATE ION, ... | | Authors: | Chuenchor, W, Pengthaisong, S, Robinson, R.C, Yuvaniyama, J, Svasti, J, Ketudat Cairns, J.R. | | Deposit date: | 2010-04-29 | | Release date: | 2010-06-02 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | The structural basis of oligosaccharide binding by rice BGlu1 beta-glucosidase
J.Struct.Biol., 173, 2011
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2C1C
 | | Structural basis of the resistance of an insect carboxypeptidase to plant protease inhibitors | | Descriptor: | CARBOXYPEPTIDASE B, YTTRIUM ION, ZINC ION | | Authors: | Bayes, A, Comellas-Bigler, M, Rodriguez de la Vega, M, Maskos, K, Bode, W, Aviles, F.X, Jongsma, M.A, Beekwilder, J, Vendrell, J. | | Deposit date: | 2005-09-12 | | Release date: | 2005-10-19 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural Basis of the Resistance of an Insect Carboxypeptidase to Plant Protease Inhibitors.
Proc.Natl.Acad.Sci.USA, 102, 2005
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