8TJ1
| Isoreticular, interpenetrating co-crystal of Replication Initiator Protein REPE54 and symmetrical expanded duplex (31mer) containing the cognate REPE54 sequence and an additional G-C rich sequence with 2 sticky base overhangs and 3' terminal phosphates and crosslinked with EDC. | Descriptor: | DNA (5'-D(CP*CP*CP*GP*GP*AP*CP*CP*TP*GP*TP*GP*AP*CP*AP*AP*AP*TP*TP*GP*CP*CP*CP*TP*CP*AP*GP*AP*CP*GP*GP*A)-3')|, DNA (5'-D(GP*GP*CP*CP*GP*TP*CP*TP*GP*AP*GP*GP*GP*CP*AP*AP*TP*TP*TP*GP*TP*CP*AP*CP*AP*GP*GP*TP*CP*CP*GP*A)-3'), MAGNESIUM ION, ... | Authors: | Orun, A.R, Shields, E.T, Shrestha, R, Slaughter, C.K, Snow, C.D. | Deposit date: | 2023-07-20 | Release date: | 2023-08-02 | Last modified: | 2024-08-14 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | Tuning chemical DNA ligation within DNA crystals and protein-DNA co-crystals Acs Nanosci Au, 2024
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8TIP
| Isoreticular, interpenetrating co-crystal of Replication Initiator Protein REPE54 and symmetrical expanded duplex (31mer) containing the cognate REPE54 sequence and an additional G-C rich sequence with blunt ends and 5' terminal phosphates. | Descriptor: | DNA (5'-D(A*CP*CP*CP*GP*GP*AP*CP*CP*TP*GP*TP*GP*AP*CP*AP*AP*AP*TP*TP*GP*CP*CP*CP*TP*CP*AP*GP*AP*CP*GP*G)-3')|, DNA (5'-D(A*CP*CP*GP*TP*CP*TP*GP*AP*GP*GP*GP*CP*AP*AP*TP*TP*TP*GP*TP*CP*AP*CP*AP*GP*GP*TP*CP*CP*GP*GP*G)-3'), MAGNESIUM ION, ... | Authors: | Orun, A.R, Shields, E.T, Slaughter, C.K, Shrestha, R, Snow, C.D. | Deposit date: | 2023-07-20 | Release date: | 2023-08-02 | Last modified: | 2024-08-14 | Method: | X-RAY DIFFRACTION (2.79 Å) | Cite: | Tuning chemical DNA ligation within DNA crystals and protein-DNA co-crystals Acs Nanosci Au, 2024
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8TIY
| Isoreticular, interpenetrating co-crystal of Replication Initiator Protein REPE54 and symmetrical expanded duplex (31mer) containing the cognate REPE54 sequence and an additional G-C rich sequence with 1 sticky bases and 3' terminal phosphates and crosslinked with EDC. | Descriptor: | DNA (5'-D(GP*CP*CP*GP*TP*CP*TP*GP*AP*GP*GP*GP*CP*AP*AP*TP*TP*TP*GP*TP*CP*AP*CP*AP*GP*GP*TP*CP*CP*GP*GP*A)-3'), DNA(5'-D(CP*CP*CP*GP*GP*AP*CP*CP*TP*GP*TP*GP*AP*CP*AP*AP*AP*TP*TP*GP*CP*CP*CP*TP*CP*AP*GP*AP*CP*GP*GP*A)-')|, MAGNESIUM ION, ... | Authors: | Orun, A.R, Shields, E.T, Shrestha, R, Slaughter, C.K, Snow, C.D. | Deposit date: | 2023-07-20 | Release date: | 2023-08-02 | Last modified: | 2024-08-14 | Method: | X-RAY DIFFRACTION (3.11 Å) | Cite: | Tuning chemical DNA ligation within DNA crystals and protein-DNA co-crystals Acs Nanosci Au, 2024
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6RGR
| Photorhabdus asymbiotica lectin PHL in complex with L-rhamnose | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Lectin PHL, ... | Authors: | Houser, J, Fujdiarova, E, Jancarikova, G, Wimmerova, M. | Deposit date: | 2019-04-17 | Release date: | 2020-07-01 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Heptabladed beta-propeller lectins PLL2 and PHL from Photorhabdus spp. recognize O-methylated sugars and influence the host immune system. Febs J., 288, 2021
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6CXD
| Crystal structure of peptidase B from Yersinia pestis CO92 at 2.75 A resolution | Descriptor: | Peptidase B, SULFATE ION | Authors: | Woinska, M, Lipowska, J, Shabalin, I.G, Cymborowski, M, Grimshaw, S, Winsor, J, Shuvalova, L, Satchell, K.J, Joachimiak, A, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2018-04-02 | Release date: | 2018-04-18 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Structural and biochemical analysis of Bacillus anthracis prephenate dehydrogenase reveals an unusual mode of inhibition by tyrosine via the ACT domain. Febs J., 287, 2020
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7XQ3
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7XPW
| Structure of OhTRP14 | Descriptor: | Thioredoxin domain-containing protein 17 | Authors: | Wang, S.Q, Huang, S.Q. | Deposit date: | 2022-05-05 | Release date: | 2022-10-12 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Structural insights into the redox regulation of Oncomelania hupensis TRP14 and its potential role in the snail host response to parasite invasion. Fish Shellfish Immunol., 128, 2022
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4XIH
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3HHJ
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4XR5
| X-ray structure of the unliganded thymidine phosphorylase from Salmonella typhimurium at 2.05 A resolution | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, TRIETHYLENE GLYCOL, ... | Authors: | Balaev, V.V, Lashkov, A.A, Gabdulkhakov, A.G, Betzel, C, Mikhailov, A.M. | Deposit date: | 2015-01-20 | Release date: | 2016-01-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structural investigation of the thymidine phosphorylase from Salmonella typhimurium in the unliganded state and its complexes with thymidine and uridine. Acta Crystallogr.,Sect.F, 72, 2016
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8E0G
| Re-refined model of active mu-opioid receptor (PDB 5c1m) as an adduct with BU72 | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2R,3S,3aR,5aS,6R,11bR,11cS)-3a-methoxy-3,14-dimethyl-2-phenyl-2,3,3a,4,5,6,7,11c-octahydro-1H-6,11b-(epiminoethano)-3,5a-methanonaphtho[2,1-g]indole-1,10-diol, CHOLESTEROL, ... | Authors: | Munro, T.A. | Deposit date: | 2022-08-09 | Release date: | 2023-10-18 | Last modified: | 2024-09-25 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Reanalysis of a mu opioid receptor crystal structure reveals a covalent adduct with BU72. Bmc Biol., 21, 2023
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4YEM
| Carboplatin binding to HEWL in NaBr crystallisation conditions studied at an X-ray wavelength of 0.9163A - new refinement | Descriptor: | ACETATE ION, BROMIDE ION, CHLORIDE ION, ... | 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 (1.47 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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6VIF
| Human LRH-1 ligand-binding domain bound to agonist cpd 15 and fragment of coregulator TIF-2 | Descriptor: | N-[(8beta,11alpha,12alpha)-8-{[methyl(phenyl)amino]methyl}-1,6:7,14-dicycloprosta-1(6),2,4,7(14)-tetraen-11-yl]sulfuric diamide, Nuclear receptor coactivator 2, Nuclear receptor subfamily 5 group A member 2 | Authors: | Cato, M.L, Ortlund, E.A. | Deposit date: | 2020-01-13 | Release date: | 2020-06-10 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Development of a new class of liver receptor homolog-1 (LRH-1) agonists by photoredox conjugate addition. Bioorg.Med.Chem.Lett., 30, 2020
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4YEN
| Room temperature X-ray diffraction studies of cisplatin binding to HEWL in DMSO media after 14 months of crystal storage - new refinement | Descriptor: | CHLORIDE ION, DIMETHYL SULFOXIDE, Lysozyme C, ... | 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 (2 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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5GVY
| Crystal structure of SALT protein from Oryza sativa | Descriptor: | Salt stress-induced protein, alpha-D-mannopyranose | Authors: | Sharma, P, Sagar, A, Kaur, N, Sharma, I, Kirat, K, Ashish, F.N.U, Pati, P.K. | Deposit date: | 2016-09-07 | Release date: | 2017-09-13 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.662 Å) | Cite: | Structural insights into rice SalTol QTL located SALT protein. Sci Rep, 10, 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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8R8E
| DYRK1a in Complex with 2-Cyclopentyl-7-iodo-1H-indole-3-carbonitrile | Descriptor: | 1,2-ETHANEDIOL, 2-cyclopentyl-7-iodanyl-1~{H}-indole-3-carbonitrile, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | Authors: | Stahlecker, J, Dammann, M, Stehle, T, Boeckler, F.M. | Deposit date: | 2023-11-29 | Release date: | 2024-09-25 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Halogen Bonding on Water─A Drop in the Ocean? J Chem Theory Comput, 2024
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4YEK
| X-ray structure of the thymidine phosphorylase from Salmonella typhimurium in complex with thymidine | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, SULFATE ION, ... | Authors: | Balaev, V.V, Lashkov, A.A, Gabdulkhakov, A.G, Betzel, C, Mikhailov, A.M. | Deposit date: | 2015-02-24 | Release date: | 2016-03-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Structural investigation of the thymidine phosphorylase from Salmonella typhimurium in the unliganded state and its complexes with thymidine and uridine. Acta Crystallogr.,Sect.F, 72, 2016
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5K9H
| Crystal structure of a glycoside hydrolase 29 family member from an unknown rumen bacterium | Descriptor: | 0940_GH29, GLYCEROL, SODIUM ION, ... | Authors: | Summers, E.L, Arcus, V.L. | Deposit date: | 2016-05-31 | Release date: | 2016-09-28 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.029 Å) | Cite: | The structure of a glycoside hydrolase 29 family member from a rumen bacterium reveals unique, dual carbohydrate-binding domains. Acta Crystallogr.,Sect.F, 72, 2016
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7PRC
| PHOTOSYNTHETIC REACTION CENTER FROM RHODOPSEUDOMONAS VIRIDIS (DG-420315 (TRIAZINE) COMPLEX) | Descriptor: | 15-cis-1,2-dihydroneurosporene, 2-CHLORO-4-ETHYLAMINO-6-(R(+)-2'-CYANO-4-BUTYLAMINO)-1,3,5-TRIAZINE, BACTERIOCHLOROPHYLL B, ... | Authors: | Lancaster, C.R.D, Michel, H. | Deposit date: | 1997-08-01 | Release date: | 1999-04-06 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Refined crystal structures of reaction centres from Rhodopseudomonas viridis in complexes with the herbicide atrazine and two chiral atrazine derivatives also lead to a new model of the bound carotenoid. J.Mol.Biol., 286, 1999
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6TPP
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8R1V
| Pseudomonas aeruginosa FabF C164A in complex with N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(4-methoxyphenoxy)acetamide | Descriptor: | 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, FORMIC ACID, ... | Authors: | Yadrykhinsky, V, Brenk, R. | Deposit date: | 2023-11-02 | Release date: | 2024-03-06 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.087 Å) | Cite: | Design, quality and validation of the EU-OPENSCREEN fragment library poised to a high-throughput screening collection. Rsc Med Chem, 15, 2024
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8R0I
| Pseudomonas aeruginosa FabF C164A in complex with 3-amino-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)benzamide | Descriptor: | 1,2-ETHANEDIOL, 3-azanyl-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)benzamide, 3-oxoacyl-[acyl-carrier-protein] synthase 2, ... | Authors: | Yadrykhinsky, V, Brenk, R. | Deposit date: | 2023-10-31 | Release date: | 2024-03-06 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | Design, quality and validation of the EU-OPENSCREEN fragment library poised to a high-throughput screening collection. Rsc Med Chem, 15, 2024
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5DOW
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4YYY
| X-ray structure of the thymidine phosphorylase from Salmonella typhimurium in complex with uridine | Descriptor: | CITRIC ACID, TRIETHYLENE GLYCOL, Thymidine phosphorylase, ... | Authors: | Balaev, V.V, Lashkov, A.A, Gabdulkhakov, A.G, Betzel, C, Mikhailov, A.M. | Deposit date: | 2015-03-24 | Release date: | 2016-03-09 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | Structural investigation of the thymidine phosphorylase from Salmonella typhimurium in the unliganded state and its complexes with thymidine and uridine. Acta Crystallogr.,Sect.F, 72, 2016
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