4QWM
| KINETIC CRYSTALLOGRAPHY of ALPHA_E7-CARBOXYLESTERSE FROM LUCILLA CUPRINA - ABSORBED X-RAY DOSE 1.85 MGy | Descriptor: | DIETHYL HYDROGEN PHOSPHATE, E3 | Authors: | Jackson, C.J, Carr, P.D, Weik, M, Huber, T, Meirelles, T, Correy, G. | Deposit date: | 2014-07-16 | Release date: | 2015-07-22 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Mapping the Accessible Conformational Landscape of an Insect Carboxylesterase Using Conformational Ensemble Analysis and Kinetic Crystallography. Structure, 24, 2016
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4R5L
| Crystal structure of the DnaK C-terminus (Dnak-SBD-C) | Descriptor: | CALCIUM ION, Chaperone protein DnaK, PHOSPHATE ION, ... | Authors: | Leu, J.I, Zhang, P, Murphy, M.E, Marmorstein, R, George, D.L. | Deposit date: | 2014-08-21 | Release date: | 2014-09-10 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.9701 Å) | Cite: | Structural Basis for the Inhibition of HSP70 and DnaK Chaperones by Small-Molecule Targeting of a C-Terminal Allosteric Pocket. Acs Chem.Biol., 9, 2014
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8DIN
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6RCA
| X-ray structure uridine phosphorylase from Vibrio cholerae in complex with 2.2'-anhydrouridine at 1.34 A | Descriptor: | 1,2-ETHANEDIOL, 2,2'-Anhydro-(1-beta-D-ribofuranosyl)uracil, CHLORIDE ION, ... | Authors: | Prokofev, I.I, Eistrikh-Geller, P.A, Balaev, V.V, Gabdoulkhakov, A.G, Betzel, C, Lashkov, A.A. | Deposit date: | 2019-04-11 | Release date: | 2020-05-13 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.345 Å) | Cite: | X-Ray Structure and Molecular Dynamics Study of Uridine Phosphorylase from Vibrio cholerae in Complex with 2,2'-Anhydrouridine Crystallography Reports, 2020
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1K1B
| Crystal structure of the ankyrin repeat domain of Bcl-3: a unique member of the IkappaB protein family | Descriptor: | B-cell lymphoma 3-encoded protein | Authors: | Michel, F, Soler-Lopez, M, Petosa, C, Cramer, P, Siebenlist, U, Mueller, C.W. | Deposit date: | 2001-09-24 | Release date: | 2001-11-21 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of the ankyrin repeat domain of Bcl-3: a unique member of the IkappaB protein family. EMBO J., 20, 2001
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4RA6
| Crystal structure of linker less Pyrococcus furiosus L-asparaginase | Descriptor: | GLYCEROL, L-asparaginase | Authors: | Sharma, P, Tomar, R, Ashish, Kundu, B. | Deposit date: | 2014-09-09 | Release date: | 2014-12-10 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.503 Å) | Cite: | Structural and functional insights into an archaeal L-asparaginase obtained through the linker-less assembly of constituent domains. Acta Crystallogr.,Sect.D, 70, 2014
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8AY1
| Crystal structure of the C. elegans POFUT2 (CePoFUT2) triple mutant (R298K-R299K-A418C) in complex with the Rattus norvegicus TSR4 single mutant (E10C) from F-spondin | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, GDP-fucose protein O-fucosyltransferase 2,Spondin-1, ... | Authors: | Hurtado-Guerrero, R, Merino, P. | Deposit date: | 2022-09-01 | Release date: | 2022-10-26 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | The Essential Role of Water Molecules in the Reaction Mechanism of Protein O-Fucosyltransferase 2. Angew.Chem.Int.Ed.Engl., 61, 2022
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8DJ7
| The complex structure between human IgG1 Fc and its high affinity receptor FcgRI H174R variant | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, High affinity immunoglobulin gamma Fc receptor I, Ig gamma-1 Fc chain, ... | Authors: | Lu, J, Sun, P.D. | Deposit date: | 2022-06-30 | Release date: | 2023-05-10 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | Fc gamma RI FG-loop functions as a pH sensitive switch for IgG binding and release. Front Immunol, 14, 2023
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3E7G
| Structure of human INOSOX with inhibitor AR-C95791 | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE-1-CARBOXYLATE, Nitric oxide synthase, ... | Authors: | Garcin, E.D, Arvai, A.S, Rosenfeld, R.J, Kroeger, M.D, Crane, B.R, Andersson, G, Andrews, G, Hamley, P.J, Mallinder, P.R, Nicholls, D.J, St-Gallay, S.A, Tinker, A.C, Gensmantel, N.P, Mete, A, Cheshire, D.R, Connolly, S, Stueh, D.J, Aberg, A, Wallace, A.V, Tainer, J.A, Getzoff, E.D. | Deposit date: | 2008-08-18 | Release date: | 2008-10-07 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase. Nat.Chem.Biol., 4, 2008
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2UW2
| Crystal structure of human ribonucleotide reductase subunit R2 | Descriptor: | FE (III) ION, RIBONUCLEOSIDE-DIPHOSPHATE REDUCTASE M2 SUBUNIT | Authors: | Welin, M, Ogg, D, Arrowsmith, C, Berglund, H, Busam, R, Collins, R, Edwards, A, Ehn, M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Hallberg, B.M, Holmberg Schiavone, L, Hogbom, M, Kotenyova, T, Magnusdottir, A, Moche, M, Nilsson-Ehle, P, Nyman, T, Persson, C, Sagemark, J, Sundstrom, M, Stenmark, P, Uppenberg, J, Thorsell, A.G, Van Den Berg, S, Wallden, K, Weigelt, J, Nordlund, P. | Deposit date: | 2007-03-16 | Release date: | 2007-04-03 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal Structure of Human Ribonucleotide Reductase Subunit R2 To be Published
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7TZA
| Structure of PQS Response Protein PqsE in complex with N-(4-(3-neopentylureido)phenyl)-1H-indazole-7-carboxamide | Descriptor: | 1,2-ETHANEDIOL, FE (III) ION, N-{4-[(2,2-dimethylpropyl)carbamamido]phenyl}-1H-indazole-7-carboxamide, ... | Authors: | Jeffrey, P.D, Taylor, I.R, Bassler, B.L. | Deposit date: | 2022-02-15 | Release date: | 2022-08-31 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The PqsE Active Site as a Target for Small Molecule Antimicrobial Agents against Pseudomonas aeruginosa. Biochemistry, 61, 2022
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8OIX
| CryoEM structure of 20S Trichomonas vaginalis proteasome in complex with proteasome inhibitor Salinosporamid A | Descriptor: | (3AR,6R,6AS)-6-((S)-((S)-CYCLOHEX-2-ENYL)(HYDROXY)METHYL)-6A-METHYL-4-OXO-HEXAHYDRO-2H-FURO[3,2-C]PYRROLE-6-CARBALDEHYDE, Family T1, proteasome alpha subunit, ... | Authors: | Silhan, J, Fajtova, P, Boura, E. | Deposit date: | 2023-03-23 | Release date: | 2024-04-10 | Last modified: | 2024-04-17 | Method: | ELECTRON MICROSCOPY (2.89 Å) | Cite: | Tv20S proteasome in the complex with marizomib To Be Published
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7U6G
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2UUN
| Crystal structure of C-phycocyanin from Phormidium, Lyngbya spp. (Marine) and Spirulina sp. (Fresh water) shows two different ways of energy transfer between two hexamers. | Descriptor: | BILIVERDINE IX ALPHA, C-PHYCOCYANIN, PHYCOCYANOBILIN | Authors: | Satyanarayana, L, Patel, A, Mishra, S, K Ghosh, P, Suresh, C.G. | Deposit date: | 2007-03-05 | Release date: | 2008-05-13 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Crystal Structure of C-Phycocyanin from Phormidium, Lyngbya Spp. (Marine) and Spirulina Sp. (Fresh Water) Shows Two Different Ways of Energy Transfer between Two Hexamers. To be Published
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5HMM
| Crystal Structure of T5 D15 Protein Co-crystallized with Metal Ions | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Exodeoxyribonuclease, ... | Authors: | Flemming, C.S, Sedelnikova, S.E, Rafferty, J.B, Sayers, J.R, Artymiuk, P.J. | Deposit date: | 2016-01-16 | Release date: | 2016-06-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Direct observation of DNA threading in flap endonuclease complexes. Nat.Struct.Mol.Biol., 23, 2016
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8AJY
| Ruminococcus flavefaciens Cohesin-Dockerin structure: dockerin from ScaH adaptor scaffoldin in complex with the cohesin from ScaE anchoring scaffoldin | Descriptor: | CALCIUM ION, Cell-wall anchoring protein, Dockerin from ScaH, ... | Authors: | Alves, V.D, Bule, P, Fontes, C.M.G.A, Carvalho, A.L.M, Najmudin, S, Duarte, M. | Deposit date: | 2022-07-28 | Release date: | 2022-11-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Structure-function studies can improve binding affinity of cohesin-dockerin interactions for multi-protein assemblies. Int.J.Biol.Macromol., 224, 2023
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8OXG
| Crystal structure of human methionine aminopeptidase-2 complexed with (3R,4S,5S,6R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methyl-2-buten-1-yl)-2-oxiranyl]-1-oxaspiro[2.5]oct-6-yl N-(trans-4-aminocyclohexyl)carbamate | Descriptor: | MANGANESE (II) ION, Methionine aminopeptidase 2, [(1~{R},2~{S},3~{S},4~{R})-2-methoxy-4-methyl-3-[(2~{R},3~{S})-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-4-oxidanyl-cyclohexyl] ~{N}-(4-azanylcyclohexyl)carbamate | Authors: | Moss, S, Cornelius, P. | Deposit date: | 2023-05-02 | Release date: | 2024-04-10 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.731 Å) | Cite: | Pharmacological Characterization of SDX-7320/Evexomostat: A Novel Methionine Aminopeptidase Type 2 Inhibitor with Anti-tumor and Anti-metastatic Activity. Mol.Cancer Ther., 23, 2024
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6R2W
| Crystal structure of the super-active FVIIa variant VYT in complex with tissue factor | Descriptor: | CALCIUM ION, Coagulation factor VII, N-acetyl-D-phenylalanyl-N-[(2S,3S)-6-carbamimidamido-1-chloro-2-hydroxyhexan-3-yl]-L-phenylalaninamide, ... | Authors: | Sorensen, A.B, Svensson, L.A, Gandhi, P.S. | Deposit date: | 2019-03-19 | Release date: | 2019-12-11 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Beating tissue factor at its own game: Design and properties of a soluble tissue factor-independent coagulation factor VIIa. J.Biol.Chem., 295, 2020
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8A9T
| Tubulin-[1,2]oxazoloisoindole-1 complex | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Prota, A.E, Abel, A.-C, Steinmetz, M.O, Barraja, P, Montalbano, A, Spano, V. | Deposit date: | 2022-06-29 | Release date: | 2022-11-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.304 Å) | Cite: | Development of [1,2]oxazoloisoindoles tubulin polymerization inhibitors: Further chemical modifications and potential therapeutic effects against lymphomas. Eur.J.Med.Chem., 243, 2022
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1BI5
| CHALCONE SYNTHASE FROM ALFALFA | Descriptor: | CHALCONE SYNTHASE | Authors: | Ferrer, J.L, Jez, J.M, Bowman, M.E, Dixon, R.A, Noel, J.P. | Deposit date: | 1998-06-22 | Release date: | 1999-06-22 | Last modified: | 2022-12-21 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Structure of chalcone synthase and the molecular basis of plant polyketide biosynthesis. Nat.Struct.Biol., 6, 1999
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3EPO
| Crystal structure of Caulobacter crescentus ThiC complexed with HMP-P | Descriptor: | (4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL DIHYDROGEN PHOSPHATE, Thiamine biosynthesis protein thiC | Authors: | Li, S, Chatterjee, A, Zhang, Y, Grove, T.L, Lee, M, Krebs, C, Booker, S.J, Begley, T.P, Ealick, S.E. | Deposit date: | 2008-09-29 | Release date: | 2008-10-28 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Reconstitution of ThiC in thiamine pyrimidine biosynthesis expands the radical SAM superfamily Nat.Chem.Biol., 4, 2008
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1CNX
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4DPG
| Crystal Structure of Human LysRS: P38/AIMP2 Complex I | Descriptor: | ALANINE, Aminoacyl tRNA synthase complex-interacting multifunctional protein 2, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, ... | Authors: | Fang, P, Wang, J, Bennett, S.P, Guo, M. | Deposit date: | 2012-02-13 | Release date: | 2013-02-13 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.844 Å) | Cite: | Structural Switch of Lysyl-tRNA Synthetase between Translation and Transcription. Mol.Cell, 49, 2013
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8A9Z
| Tubulin-[1,2]oxazoloisoindole-2e complex | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 7-[(3,5-dimethoxyphenyl)methyl]pyrrolo[3,4-g][1,2]benzoxazole, CALCIUM ION, ... | Authors: | Prota, A.E, Abel, A.-C, Steinmetz, M.O, Barraja, P, Montalbano, A, Spano, V. | Deposit date: | 2022-06-29 | Release date: | 2022-11-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.294 Å) | Cite: | Development of [1,2]oxazoloisoindoles tubulin polymerization inhibitors: Further chemical modifications and potential therapeutic effects against lymphomas. Eur.J.Med.Chem., 243, 2022
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2UZE
| Crystal structure of human CDK2 complexed with a thiazolidinone inhibitor | Descriptor: | 4-{5-[(Z)-(2-IMINO-4-OXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]FURAN-2-YL}BENZOIC ACID, CELL DIVISION PROTEIN KINASE 2, CYCLIN A2 | Authors: | Richardson, C.M, Dokurno, P, Murray, J.B, Surgenor, A.E. | Deposit date: | 2007-04-27 | Release date: | 2007-06-26 | Last modified: | 2019-04-03 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Discovery of a Potent Cdk2 Inhibitor with a Novel Binding Mode, Using Virtual Screening and Initial, Structure-Guided Lead Scoping. Bioorg.Med.Chem.Lett., 17, 2007
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