1RXE
| ArsC complexed with MNB | Descriptor: | 5-MERCAPTO-2-NITRO-BENZOIC ACID, Arsenate reductase, PERCHLORATE ION, ... | Authors: | Messens, J, Van Molle, I, Vanhaesebrouck, P, Limbourg, M, Van Belle, K, Wahni, K, Martins, J.C, Loris, R, Wyns, L. | Deposit date: | 2003-12-18 | Release date: | 2004-06-01 | Last modified: | 2021-10-27 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The structure of a triple mutant of pI258 arsenate reductase from Staphylococcus aureus and its 5-thio-2-nitrobenzoic acid adduct. Acta Crystallogr.,Sect.D, 60, 2004
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5OA8
| Fe(II)/(alpha)ketoglutarate-dependent dioxygenase AsqJ_V72I mutant in complex with demethylated cyclopeptin (1d) | Descriptor: | 2-OXOGLUTARIC ACID, Iron/alpha-ketoglutarate-dependent dioxygenase asqJ, NICKEL (II) ION, ... | Authors: | Groll, M, Braeuer, A, Kaila, V.R.I. | Deposit date: | 2017-06-21 | Release date: | 2018-04-04 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Catalytic mechanism and molecular engineering of quinolone biosynthesis in dioxygenase AsqJ. Nat Commun, 9, 2018
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2OP2
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5OBV
| Mycoplasma genitalium DnaK deletion mutant lacking SBDalpha in complex with ADP and Pi. | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Chaperone protein DnaK, PHOSPHATE ION | Authors: | Adell, M, Calisto, B, Fita, I, Martinelli, L. | Deposit date: | 2017-06-29 | Release date: | 2018-05-09 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | The nucleotide-bound/substrate-bound conformation of the Mycoplasma genitalium DnaK chaperone. Protein Sci., 27, 2018
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2XA4
| Inhibitors of Jak2 Kinase domain | Descriptor: | 5-CHLORO-N2-[(1S)-1-(5-FLUOROPYRIMIDIN-2-YL)ETHYL]-N4-(5-METHYL-1H-PYRAZOL-3-YL)PYRIMIDINE-2,4-DIAMINE, TYROSINE-PROTEIN KINASE JAK2 | Authors: | Read, J, Green, I, Pollard, H, Howard, T, Mott, R. | Deposit date: | 2010-03-26 | Release date: | 2010-12-15 | Last modified: | 2019-05-08 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Discovery of 5-Chloro-N2-[(1S)-1-(5-Fluoropyrimidin-2-Yl) Ethyl]-N4-(5-Methyl-1H-Pyrazol-3-Yl)Pyrimidine-2,4-Diamine (Azd1480) as a Novel Inhibitor of the Jak/Stat Pathway J.Med.Chem., 54, 2011
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5ET9
| Racemic crystal structures of Pribnow box consensus promoter sequence (P21/n) | Descriptor: | BARIUM ION, Pribnow box consensus sequence- template strand, Pribnow box non-template strand | Authors: | Mandal, P.K, Collie, G.W, Kauffmann, B, Srivastava, S.C, Huc, I. | Deposit date: | 2015-11-17 | Release date: | 2016-05-18 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Structure elucidation of the Pribnow box consensus promoter sequence by racemic DNA crystallography. Nucleic Acids Res., 44, 2016
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6B33
| Structure of RORgt in complex with a novel inverse agonist 3 | Descriptor: | (2R)-N~2~-(3-chloro-4-cyanophenyl)-N~4~-[3-(cyclopropylmethyl)-2,4-dioxo-1-(propan-2-yl)-1,2,3,4-tetrahydroquinazolin-6-yl]morpholine-2,4-dicarboxamide, Nuclear receptor ROR-gamma | Authors: | Skene, R.J, Hoffman, I, Snell, G. | Deposit date: | 2017-09-20 | Release date: | 2018-11-21 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Design and Synthesis of Conformationally Constrained ROR gamma t Inverse Agonists. Chemmedchem, 2019
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5OHX
| Structure of active cystathionine B-synthase from Apis mellifera | Descriptor: | Cystathionine beta-synthase, PROTOPORPHYRIN IX CONTAINING FE, PYRIDOXAL-5'-PHOSPHATE | Authors: | Gimenez-Mascarell, P, Majtan, T, Oyenarte, I, Ereno-Orbea, J, Majtan, J, Kraus, J.P, Klaudiny, J, Martinez-Cruz, L.A. | Deposit date: | 2017-07-18 | Release date: | 2018-01-03 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Crystal structure of cystathionine beta-synthase from honeybee Apis mellifera. J. Struct. Biol., 202, 2018
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1S3X
| The crystal structure of the human Hsp70 ATPase domain | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, Heat shock 70 kDa protein 1, ... | Authors: | Sriram, M, Osipiuk, J, Freeman, B, Morimoto, R.I, Joachimiak, A. | Deposit date: | 2004-01-14 | Release date: | 2004-01-20 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Human Hsp70 molecular chaperone binds two calcium ions within the ATPase domain Structure, 5, 1997
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2WVB
| Structural and mechanistic insights into Helicobacter pylori NikR function | Descriptor: | FORMIC ACID, GLYCEROL, PUTATIVE NICKEL-RESPONSIVE REGULATOR | Authors: | Dian, C, Bahlawane, C, Muller, C, Round, A, Delay, C, Fauquant, C, Schauer, K, De Reuse, H, Michaud-Soret, I, Terradot, L. | Deposit date: | 2009-10-16 | Release date: | 2010-01-19 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural and Mechanistic Insights Into Helicobacter Pylori Nikr Activation. Nucleic Acids Res., 38, 2010
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2WXQ
| The crystal structure of the murine class IA PI 3-kinase p110delta in complex with AS15. | Descriptor: | 2-{[3-(2-METHOXYPHENYL)-4-OXO-3,4,5,6,7,8-HEXAHYDROQUINAZOLIN-2-YL]SULFANYL}-N-QUINOXALIN-6-YLACETAMIDE, PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT DELTA ISOFORM | Authors: | Berndt, A, Miller, S, Williams, O, Lee, D.D, Houseman, B.T, Pacold, J.I, Gorrec, F, Hon, W.-C, Liu, Y, Rommel, C, Gaillard, P, Ruckle, T, Schwarz, M.K, Shokat, K.M, Shaw, J.P, Williams, R.L. | Deposit date: | 2009-11-09 | Release date: | 2010-01-12 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | The P110D Structure: Mechanisms for Selectivity and Potency of New Pi(3)K Inhibitors Nat.Chem.Biol., 6, 2010
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2OSU
| Probable glutaminase from Bacillus subtilis complexed with 6-diazo-5-oxo-L-norleucine | Descriptor: | 6-DIAZENYL-5-OXO-L-NORLEUCINE, Glutaminase 1 | Authors: | Kim, Y, Dementieva, I, Vinokour, E, Collart, F, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2007-02-06 | Release date: | 2007-03-06 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | The structure of probable glutaminase from B. subtilis complexed with its inhibitor 6-diazo-5-oxo-L-norleucine To be Published
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1SC0
| X-ray Structure of YB61_HAEIN Northeast Structural Genomics Consortium Target IR63 | Descriptor: | Hypothetical protein HI1161 | Authors: | Kuzin, A.P, Lee, I, Chiang, Y, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2004-02-11 | Release date: | 2004-03-30 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | X-ray Structure of YB61_HAEIN Northeast Structural Genomics Consortium Target IR63. To be Published
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6BA9
| YbtT - Type II thioesterase from Yersiniabactin NRPS/PKS biosynthetic pathway- S89A mutant | Descriptor: | Iron aquisition yersiniabactin synthesis enzyme, YbtT | Authors: | Brett, T.J, Kober, D.L, Ohlemacher, S.I, Henderson, J.P. | Deposit date: | 2017-10-12 | Release date: | 2018-10-31 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | YbtT is a low-specificity type II thioesterase that maintains production of the metallophore yersiniabactin in pathogenic enterobacteria. J. Biol. Chem., 293, 2018
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6BBE
| Structure of N-glycosylated porcine surfactant protein-D | Descriptor: | 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, 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)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | van Eijk, M, Rynkiewicz, M.J, Khatri, K, Leymarie, N, Zaia, J, White, M.R, Hartshorn, K.L, Cafarella, T.R, van Die, I, Hessing, M, Seaton, B.A, Haagsman, H.P. | Deposit date: | 2017-10-18 | Release date: | 2018-05-23 | Last modified: | 2021-03-24 | Method: | X-RAY DIFFRACTION (1.898 Å) | Cite: | Lectin-mediated binding and sialoglycans of porcine surfactant protein D synergistically neutralize influenza A virus. J. Biol. Chem., 293, 2018
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3S5Y
| Pharmacological Chaperoning in Human alpha-Galactosidase | Descriptor: | (2R,3S,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Guce, A.I, Clark, N.E, Garman, S.C. | Deposit date: | 2011-05-23 | Release date: | 2012-01-04 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.105 Å) | Cite: | The molecular basis of pharmacological chaperoning in human alpha-galactosidase Chem.Biol., 18, 2011
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3WOP
| Crystal structure of the DAP BII hexapeptide complex II | Descriptor: | Angiotensin IV, GLYCEROL, ZINC ION, ... | Authors: | Sakamoto, Y, Suzuki, Y, Iizuka, I, Tateoka, C, Roppongi, S, Fujimoto, M, Nonaka, T, Ogasawara, W, Tanaka, N. | Deposit date: | 2013-12-29 | Release date: | 2014-09-03 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | S46 peptidases are the first exopeptidases to be members of clan PA SCI REP, 4, 2014
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7WWO
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6BJG
| CIRV p19 mutant T111H in complex with siRNA | Descriptor: | RNA (5'-R(P*CP*GP*UP*AP*CP*GP*CP*GP*GP*AP*AP*UP*AP*CP*UP*UP*CP*GP*AP*UP*U)-3'), RNA (5'-R(P*UP*CP*GP*AP*AP*GP*UP*AP*UP*UP*CP*CP*GP*CP*GP*UP*AP*CP*GP*UP*U)-3'), RNA silencing suppressor p19 | Authors: | Foss, D.V, Schirle, N, Pezacki, J.P, Macrae, I.J. | Deposit date: | 2017-11-06 | Release date: | 2019-01-16 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | Structural insights into interactions between viral suppressor of RNA silencing protein p19 mutants and small RNAs. Febs Open Bio, 9, 2019
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2W2R
| Structure of the vesicular stomatitis virus matrix protein | Descriptor: | MATRIX PROTEIN | Authors: | Graham, S.C, Assenberg, R, Delmas, O, Verma, A, Gholami, A, Talbi, C, Owens, R.J, Stuart, D.I, Grimes, J.M, Bourhy, H. | Deposit date: | 2008-11-03 | Release date: | 2009-01-13 | Last modified: | 2019-05-08 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Rhabdovirus Matrix Protein Structures Reveal a Novel Mode of Self-Association. Plos Pathog., 4, 2008
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6BVU
| SFTI-HFRW-1 | Descriptor: | Trypsin inhibitor 1 HFRW-1 | Authors: | Schroeder, C.I. | Deposit date: | 2017-12-13 | Release date: | 2018-12-19 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Development of Novel Melanocortin Receptor Agonists Based on the Cyclic Peptide Framework of Sunflower Trypsin Inhibitor-1. J.Med.Chem., 61, 2018
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1SPQ
| Understanding protein lids: Structural analysis of active hinge mutants in triosephosphate isomerase | Descriptor: | DI(HYDROXYETHYL)ETHER, Triosephosphate isomerase | Authors: | Kursula, I, Salin, M, Sun, J, Norledge, B.V, Haapalainen, A.M, Sampson, N.S, Wierenga, R.K. | Deposit date: | 2004-03-17 | Release date: | 2004-08-24 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | Understanding protein lids: structural analysis of active hinge mutants in triosephosphate isomerase Protein Eng.Des.Sel., 17, 2004
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2PF8
| Complex of Aldose Reductase with NADP+ and simaltaneously bound competetive inhibitors Fidarestat and IDD594. Concentration of Fidarestat in soaking solution is equal to concentration of IDD594. | Descriptor: | (2S,4S)-2-AMINOFORMYL-6-FLUORO-SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]-2',5'-DIONE, Aldose reductase, CHLORIDE ION, ... | Authors: | Petrova, T, Hazemann, I, Cousido, A, Mitschler, A, Ginell, S, Joachimiak, A, Podjarny, A. | Deposit date: | 2007-04-04 | Release date: | 2007-04-17 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (0.85 Å) | Cite: | Crystal packing modifies ligand binding affinity: The case of aldose reductase. Proteins, 80, 2012
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7X0C
| Crystal structure of phospholipase A1, AtDSEL | Descriptor: | Phospholipase A1-IIgamma | Authors: | Heo, Y, Lee, I, Moon, S, Lee, W. | Deposit date: | 2022-02-21 | Release date: | 2022-04-13 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.79909515 Å) | Cite: | Crystal Structures of the Plant Phospholipase A1 Proteins Reveal a Unique Dimerization Domain. Molecules, 27, 2022
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2VQ6
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