5A9U
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![BU of 5a9u by Molmil](/molmil-images/mine/5a9u) | Structure of C1156Y Mutant Human Anaplastic Lymphoma Kinase in Complex with PF-06463922 ((10R)-7-amino-12-fluoro-2,10,16-trimethyl- 15-oxo-10,15,16,17-tetrahydro-2H-8,4-(metheno)pyrazolo(4,3-h)(2,5,11) benzoxadiazacyclotetradecine-3-carbonitrile). | Descriptor: | (10R)-7-amino-12-fluoro-2,10,16-trimethyl-15-oxo-10,15,16,17-tetrahydro-2H-8,4-(metheno)pyrazolo[4,3-h][2,5,11]benzoxadiazacyclotetradecine-3-carbonitrile, ALK TYROSINE KINASE RECEPTOR | Authors: | McTigue, M, Deng, Y.-L, Liu, W, Brooun, A, Stewart, A. | Deposit date: | 2015-07-22 | Release date: | 2016-06-08 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Resensitization to Crizotinib by the Lorlatinib Alk Resistance Mutation L1198F. N.Engl.J.Med., 374, 2016
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5FA6
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![BU of 5fa6 by Molmil](/molmil-images/mine/5fa6) | wild type human CYPOR | Descriptor: | FLAVIN MONONUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Xia, C, Marohnic, C, Panda, S, Masters, B.S, Kim, J.J.K. | Deposit date: | 2015-12-11 | Release date: | 2016-08-17 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Instability of the Human Cytochrome P450 Reductase A287P Variant Is the Major Contributor to Its Antley-Bixler Syndrome-like Phenotype. J.Biol.Chem., 291, 2016
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5H59
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![BU of 5h59 by Molmil](/molmil-images/mine/5h59) | Ferredoxin-NADP+ reductase from maize root | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Ferredoxin--NADP reductase | Authors: | Kurisu, G, Hase, T. | Deposit date: | 2016-11-04 | Release date: | 2017-02-01 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structural basis for the isotype-specific interactions of ferredoxin and ferredoxin: NADP(+) oxidoreductase: an evolutionary switch between photosynthetic and heterotrophic assimilation Photosyn. Res., 134, 2017
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5UG8
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![BU of 5ug8 by Molmil](/molmil-images/mine/5ug8) | Crystal structure of the EGFR kinase domain (L858R, T790M, V948R) in complex with a covalent inhibitor N-[(3R,4R)-4-fluoro-1-{6-[(1-methyl-1H-pyrazol-4-yl)amino]-9-(propan-2-yl)-9H-purin-2-yl}pyrrolidin-3-yl]propanamide | Descriptor: | Epidermal growth factor receptor, GLYCEROL, N-[(3R,4R)-4-fluoro-1-{6-[(1-methyl-1H-pyrazol-4-yl)amino]-9-(propan-2-yl)-9H-purin-2-yl}pyrrolidin-3-yl]propanamide, ... | Authors: | Gajiwala, K.S, Ferre, R.A. | Deposit date: | 2017-01-07 | Release date: | 2017-03-22 | Last modified: | 2017-04-26 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | Discovery of N-((3R,4R)-4-Fluoro-1-(6-((3-methoxy-1-methyl-1H-pyrazol-4-yl)amino)-9-methyl-9H-purin-2-yl)pyrrolidine-3-yl)acrylamide (PF-06747775) through Structure-Based Drug Design: A High Affinity Irreversible Inhibitor Targeting Oncogenic EGFR Mutants with Selectivity over Wild-Type EGFR. J. Med. Chem., 60, 2017
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5H28
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5GRT
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![BU of 5grt by Molmil](/molmil-images/mine/5grt) | HUMAN GLUTATHIONE REDUCTASE A34E, R37W MUTANT, GLUTATHIONYLSPERMIDINE COMPLEX | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GLUTATHIONE REDUCTASE, GLUTATHIONYLSPERMIDINE DISULFIDE | Authors: | Stoll, V.S, Simpson, S.J, Krauth-Siegel, R.L, Walsh, C.T, Pai, E.F. | Deposit date: | 1997-02-12 | Release date: | 1997-08-12 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Glutathione reductase turned into trypanothione reductase: structural analysis of an engineered change in substrate specificity. Biochemistry, 36, 1997
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2OKX
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![BU of 2okx by Molmil](/molmil-images/mine/2okx) | Crystal structure of GH78 family rhamnosidase of Bacillus SP. GL1 AT 1.9 A | Descriptor: | CALCIUM ION, GLYCEROL, Rhamnosidase B | Authors: | Cui, Z, Mikami, B, Hashimoto, W, Murata, K. | Deposit date: | 2007-01-17 | Release date: | 2007-11-13 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal Structure of Glycoside Hydrolase Family 78 alpha-L-Rhamnosidase from Bacillus sp. GL1 J.Mol.Biol., 374, 2007
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5URC
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![BU of 5urc by Molmil](/molmil-images/mine/5urc) | Design, Synthesis, Functional and Biological Evaluation of Ether and Ester Derivatives of the Antisickling Agent 5-HMF for the Treatment of Sickle Cell Disease | Descriptor: | (5-formylfuran-2-yl)methyl acetate, 5-HYDROXYMETHYL-FURFURAL, CARBON MONOXIDE, ... | Authors: | Pagare, P.P, Safo, R.S, Gazi, A. | Deposit date: | 2017-02-10 | Release date: | 2017-03-15 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Design, Synthesis, and Biological Evaluation of Ester and Ether Derivatives of Antisickling Agent 5-HMF for the Treatment of Sickle Cell Disease. Mol. Pharm., 14, 2017
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5CXM
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![BU of 5cxm by Molmil](/molmil-images/mine/5cxm) | Crystal structure of the cyanobacterial plasma membrane Rieske protein PetC3 from Synechocystis PCC 6803 | Descriptor: | Cytochrome b6/f complex iron-sulfur subunit, FE2/S2 (INORGANIC) CLUSTER, NICKEL (II) ION, ... | Authors: | Veit, S, Takeda, K, Miki, K, Roegner, M. | Deposit date: | 2015-07-29 | Release date: | 2016-08-03 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural and functional characterisation of the cyanobacterial PetC3 Rieske protein family. Biochim. Biophys. Acta, 1857, 2016
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5EMN
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![BU of 5emn by Molmil](/molmil-images/mine/5emn) | Crystal Structure of Human NADPH-Cytochrome P450 Reductase(A287P mutant) | Descriptor: | FLAVIN MONONUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Xia, C, Marohnic, C, Panda, S, Masters, B.S, Kim, J.J.K. | Deposit date: | 2015-11-06 | Release date: | 2016-08-17 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Instability of the Human Cytochrome P450 Reductase A287P Variant Is the Major Contributor to Its Antley-Bixler Syndrome-like Phenotype. J.Biol.Chem., 291, 2016
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5GQD
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![BU of 5gqd by Molmil](/molmil-images/mine/5gqd) | Crystal structure of covalent glycosyl-enzyme intermediate of xylanase mutant (T82A, N127S, and E128H) from Streptomyces olivaceoviridis E-86 | Descriptor: | Beta-xylanase, GLYCEROL, beta-D-xylopyranose-(1-4)-alpha-D-xylopyranose | Authors: | Suzuki, R, Fujimoto, Z, Kaneko, S, Kuno, A. | Deposit date: | 2016-08-07 | Release date: | 2017-08-09 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Azidolysis by the Formation of Stable Ser-His Catalytic Dyad in a Glycoside Hydrolase Family 10 Xylanase Mutant J.Appl.Glyosci., 65, 2019
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5DAA
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5H1H
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![BU of 5h1h by Molmil](/molmil-images/mine/5h1h) | NMR structure of SLBA, a chimera of SFTI | Descriptor: | Bradykinin-trypsin inhibitor secondary loop chimera | Authors: | Xiao, T, Tam, J.P. | Deposit date: | 2016-10-10 | Release date: | 2017-04-19 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | An Orally Active Bradykinin B1 Receptor Antagonist Engineered as a Bifunctional Chimera of Sunflower Trypsin Inhibitor. J. Med. Chem., 60, 2017
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5H1I
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![BU of 5h1i by Molmil](/molmil-images/mine/5h1i) | NMR structure of TIBA, a chimera of SFTI | Descriptor: | Bradykinin-trypsin inhibitor secondary loop chimera | Authors: | Xiao, T, Tam, J.P. | Deposit date: | 2016-10-10 | Release date: | 2017-04-19 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | An Orally Active Bradykinin B1 Receptor Antagonist Engineered as a Bifunctional Chimera of Sunflower Trypsin Inhibitor. J. Med. Chem., 60, 2017
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5E9G
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![BU of 5e9g by Molmil](/molmil-images/mine/5e9g) | Structural insights of isocitrate lyases from Magnaporthe oryzae | Descriptor: | GLYCEROL, GLYOXYLIC ACID, Isocitrate lyase, ... | Authors: | Park, Y, Cho, Y, Lee, Y.-H, Lee, Y.-W, Rhee, S. | Deposit date: | 2015-10-15 | Release date: | 2016-04-27 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure and functional analysis of isocitrate lyases from Magnaporthe oryzae and Fusarium graminearum J.Struct.Biol., 194, 2016
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5AVP
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5AY2
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![BU of 5ay2 by Molmil](/molmil-images/mine/5ay2) | Crystal structure of RNA duplex containing C-Ag(I)-C base pairs | Descriptor: | RNA (5'-R(*GP*GP*AP*CP*UP*(CBR)P*GP*AP*CP*UP*CP*C)-3'), SILVER ION | Authors: | Kondo, J, Tada, Y, Dairaku, T, Saneyoshi, H, Okamoto, I, Tanaka, Y, Ono, A. | Deposit date: | 2015-08-06 | Release date: | 2015-10-21 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | High-Resolution Crystal Structure of a Silver(I)-RNA Hybrid Duplex Containing Watson-Crick-like CSilver(I)C Metallo-Base Pairs Angew.Chem.Int.Ed.Engl., 54, 2015
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5EAA
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![BU of 5eaa by Molmil](/molmil-images/mine/5eaa) | ASPARTATE AMINOTRANSFERASE FROM E. COLI, C191S MUTATION | Descriptor: | ASPARTATE AMINOTRANSFERASE, PYRIDOXAL-5'-PHOSPHATE | Authors: | Jeffery, C.J, Gloss, L.M, Petsko, G.A, Ringe, D. | Deposit date: | 1998-12-29 | Release date: | 2000-10-27 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | The role of residues outside the active site: structural basis for function of C191 mutants of Escherichia coli aspartate aminotransferase. Protein Eng., 13, 2000
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5EAT
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![BU of 5eat by Molmil](/molmil-images/mine/5eat) | 5-EPI-ARISTOLOCHENE SYNTHASE FROM NICOTIANA TABACUM WITH SUBSTRATE ANALOG FARNESYL HYDROXYPHOSPHONATE | Descriptor: | 1-HYDROXY-3,7,11-TRIMETHYLDODECA-2,6,10-TRIENE PHOSPHONIC ACID, 5-EPI-ARISTOLOCHENE SYNTHASE, MAGNESIUM ION | Authors: | Starks, C.M, Back, K, Chappell, J, Noel, J.P. | Deposit date: | 1997-07-24 | Release date: | 1997-11-12 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural basis for cyclic terpene biosynthesis by tobacco 5-epi-aristolochene synthase. Science, 277, 1997
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5EAS
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![BU of 5eas by Molmil](/molmil-images/mine/5eas) | 5-EPI-ARISTOLOCHENE SYNTHASE FROM NICOTIANA TABACUM | Descriptor: | 5-EPI-ARISTOLOCHENE SYNTHASE, MAGNESIUM ION | Authors: | Starks, C.M, Back, K, Chappell, J, Noel, J.P. | Deposit date: | 1997-06-19 | Release date: | 1997-10-15 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structural basis for cyclic terpene biosynthesis by tobacco 5-epi-aristolochene synthase. Science, 277, 1997
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5ER2
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![BU of 5er2 by Molmil](/molmil-images/mine/5er2) | High-resolution X-ray diffraction study of the complex between endothiapepsin and an oligopeptide inhibitor. the analysis of the inhibitor binding and description of the rigid body shift in the enzyme | Descriptor: | 6-ammonio-N-{[(2R,3R)-3-{[N-(tert-butoxycarbonyl)-L-phenylalanyl-3-(1H-imidazol-3-ium-4-yl)-L-alanyl]amino}-4-cyclohexyl-2-hydroxybutyl](2-methylpropyl)carbamoyl}-L-norleucyl-L-phenylalanine, ENDOTHIAPEPSIN | Authors: | Sali, A, Veerapandian, B, Cooper, J.B, Foundling, S.I, Hoover, D.J, Blundell, T.L. | Deposit date: | 1991-01-02 | Release date: | 1991-04-15 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | High-resolution X-ray diffraction study of the complex between endothiapepsin and an oligopeptide inhibitor: the analysis of the inhibitor binding and description of the rigid body shift in the enzyme. EMBO J., 8, 1989
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5ER1
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4B3S
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![BU of 4b3s by Molmil](/molmil-images/mine/4b3s) | Crystal structure of the 30S ribosome in complex with compound 37 | Descriptor: | (1R,2R,3S,4R,6S)-4,6-diamino-2-{[3-O-(2,6-diamino-2,6-dideoxy-beta-L-idopyranosyl)-beta-D-ribofuranosyl]oxy}-3-hydroxycyclohexyl 2-amino-4-O-benzyl-2-deoxy-alpha-D-glucopyranoside, 16S RIBOSOMAL RNA, 30S RIBOSOMAL PROTEIN S10, ... | Authors: | Ng, C.L, Lang, K, Shcherbakov, D, Matt, T, Perez-Fernandez, D, Patak, R, Meyer, M, Duscha, S, Akbergenov, R, Boukari, H, Freihofer, P, Kudyba, I, Reddy, M.S.K, Nandurikar, R.S, Ramakrishnan, V, Vasella, A, Bottger, E.C. | Deposit date: | 2012-07-26 | Release date: | 2013-08-07 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | 4'-O-Substitutions Determine Selectivity of Aminoglycoside Antibiotics Nat.Commun., 5, 2014
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5UGC
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![BU of 5ugc by Molmil](/molmil-images/mine/5ugc) | Crystal structure of the EGFR kinase domain (L858R, T790M, V948R) in complex with a covalent inhibitor N-[(3R,4R)-4-fluoro-1-{6-[(3-methoxy-1-methyl-1H-pyrazol-4-yl)amino]-9-methyl-9H-purin-2-yl}pyrrolidin-3-yl]propanamide | Descriptor: | 1,2-ETHANEDIOL, Epidermal growth factor receptor, GLYCEROL, ... | Authors: | Gajiwala, K.S, Ferre, R.A. | Deposit date: | 2017-01-08 | Release date: | 2017-03-22 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Discovery of N-((3R,4R)-4-Fluoro-1-(6-((3-methoxy-1-methyl-1H-pyrazol-4-yl)amino)-9-methyl-9H-purin-2-yl)pyrrolidine-3-yl)acrylamide (PF-06747775) through Structure-Based Drug Design: A High Affinity Irreversible Inhibitor Targeting Oncogenic EGFR Mutants with Selectivity over Wild-Type EGFR. J. Med. Chem., 60, 2017
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5HG9
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![BU of 5hg9 by Molmil](/molmil-images/mine/5hg9) | EGFR (L858R, T790M, V948R) in complex with 1-[(3R,4R)-3-[({2-[(1-methyl-1H-pyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)methyl]-4-(trifluoromethyl)pyrrolidin-1-yl]prop-2-en-1-one | Descriptor: | 1-[(3R,4R)-3-[({2-[(1-methyl-1H-pyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)methyl]-4-(trifluoromethyl)pyrrolidin-1-yl]propan-1-one, Epidermal growth factor receptor, GLYCEROL, ... | Authors: | Gajiwala, K.S. | Deposit date: | 2016-01-08 | Release date: | 2016-02-03 | Last modified: | 2016-03-23 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Discovery of 1-{(3R,4R)-3-[({5-Chloro-2-[(1-methyl-1H-pyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)methyl]-4-methoxypyrrolidin-1-yl}prop-2-en-1-one (PF-06459988), a Potent, WT Sparing, Irreversible Inhibitor of T790M-Containing EGFR Mutants. J.Med.Chem., 59, 2016
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