1MQ4
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![BU of 1mq4 by Molmil](/molmil-images/mine/1mq4) | Crystal Structure of Aurora-A Protein Kinase | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, AURORA-RELATED KINASE 1, MAGNESIUM ION, ... | Authors: | Nowakowski, J, Cronin, C.N, McRee, D.E, Knuth, M.W, Nelson, C, Pavletich, N.P, Rodgers, J, Sang, B.-C, Scheibe, D.N, Swanson, R.V, Thompson, D.A. | Deposit date: | 2002-09-13 | Release date: | 2003-09-16 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structures of the Cancer-Related Aurora-A, FAK and EphA2 Protein Kinases from Nanovolume Crystallography Structure, 10, 2002
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8RCM
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2XY3
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![BU of 2xy3 by Molmil](/molmil-images/mine/2xy3) | Structure of the Bacillus subtilis prophage dUTPase with dUpNHpp | Descriptor: | 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, MAGNESIUM ION, SPBC2 PROPHAGE-DERIVED DEOXYURIDINE 5'-TRIPHOSPHATE NUCLEOTIDOHYDROLASE YOSS | Authors: | Garcia-Nafria, J, Harkiolaki, M, Persson, R, Fogg, M.J, Wilson, K.S. | Deposit date: | 2010-11-12 | Release date: | 2011-02-23 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | The Structure of Bacillus Subtilis Sp Beta Prophage Dutpase and its Complexes with Two Nucleotides Acta Crystallogr.,Sect.D, 67, 2011
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1MM8
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![BU of 1mm8 by Molmil](/molmil-images/mine/1mm8) | Crystal structure of Tn5 Transposase complexed with ME DNA | Descriptor: | MANGANESE (II) ION, ME DNA non-transferred strand, ME DNA transferred strand, ... | Authors: | Steiniger-White, M, Bhasin, A, Lovell, S, Rayment, I, Reznikoff, W.S. | Deposit date: | 2002-09-03 | Release date: | 2002-12-13 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Evidence for "unseen" Transposase--DNA contacts J.Mol.Biol., 322, 2002
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2Y03
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![BU of 2y03 by Molmil](/molmil-images/mine/2y03) | TURKEY BETA1 ADRENERGIC RECEPTOR WITH STABILISING MUTATIONS AND BOUND AGONIST ISOPRENALINE | Descriptor: | BETA-1 ADRENERGIC RECEPTOR, CHOLESTEROL HEMISUCCINATE, HEGA-10, ... | Authors: | Warne, A, Moukhametzianov, R, Baker, J.G, Nehme, R, Edwards, P.C, Leslie, A.G.W, Schertler, G.F.X, Tate, C.G. | Deposit date: | 2010-11-30 | Release date: | 2011-01-12 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | The Structural Basis for Agonist and Partial Agonist Action on a Beta1-Adrenergic Receptor Nature, 469, 2011
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1MMK
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![BU of 1mmk by Molmil](/molmil-images/mine/1mmk) | Crystal structure of ternary complex of the catalytic domain of human phenylalanine hydroxylase ((FeII)) complexed with tetrahydrobiopterin and thienylalanine | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, BETA(2-THIENYL)ALANINE, FE (II) ION, ... | Authors: | Andersen, O.A, Flatmark, T, Hough, E. | Deposit date: | 2002-09-04 | Release date: | 2003-09-04 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | 2.0A resolution crystal structures of the ternary complexes of human phenylalanine hydroxylase catalytic domain with tetrahydrobiopterin and 3-(2-thienyl)-L-alanine or L-norleucine: substrate specificity and molecular motions related to substrate binding J.Mol.Biol., 333, 2003
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8RCS
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4FPD
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![BU of 4fpd by Molmil](/molmil-images/mine/4fpd) | Deprotonation of D96 in bacteriorhodopsin opens the proton uptake pathway | Descriptor: | 1-[2,6,10.14-TETRAMETHYL-HEXADECAN-16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-16-YL]GLYCEROL, Bacteriorhodopsin, CHLORIDE ION, ... | Authors: | Wang, T, Sessions, A.O, Lunde, C.S, Rouani, S, Glaeser, R.M, Facciotti, M.T, Duan, Y. | Deposit date: | 2012-06-22 | Release date: | 2013-02-27 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Deprotonation of d96 in bacteriorhodopsin opens the proton uptake pathway. Structure, 21, 2013
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2XE0
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![BU of 2xe0 by Molmil](/molmil-images/mine/2xe0) | Molecular basis of engineered meganuclease targeting of the endogenous human RAG1 locus | Descriptor: | 24MER DNA, ACETATE ION, I-CREI V2V3 VARIANT, ... | Authors: | Munoz, I.G, Prieto, J, Subramanian, S, Coloma, J, Redondo, P, Villate, M, Merino, N, Marenchino, M, D'Abramo, M, Gervasio, F.L, Grizot, S, Daboussi, F, Smith, J, Chion-Sotine, I, Paques, F, Duchateau, P, Alibes, A, Stricher, F, Serrano, L, Blanco, F.J, Montoya, G. | Deposit date: | 2010-05-10 | Release date: | 2010-09-29 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Molecular Basis of Engineered Meganuclease Targeting of the Endogenous Human Rag1 Locus Nucleic Acids Res., 39, 2011
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5VLG
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![BU of 5vlg by Molmil](/molmil-images/mine/5vlg) | Crystal structure of EilR in complex with malachite green | Descriptor: | MALACHITE GREEN, Regulatory protein TetR | Authors: | Pereira, J.H, Ruegg, T.L, Chen, J, Novichkov, P, DeGiovani, A, Tomaleri, G.P, Singer, S, Simmons, B, Thelen, M, Adams, P.D. | Deposit date: | 2017-04-25 | Release date: | 2018-06-27 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.932 Å) | Cite: | Jungle Express is a versatile repressor system for tight transcriptional control. Nat Commun, 9, 2018
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1M01
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![BU of 1m01 by Molmil](/molmil-images/mine/1m01) | Wildtype Streptomyces plicatus beta-hexosaminidase in complex with product (GlcNAc) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-N-acetylhexosaminidase, CHLORIDE ION, ... | Authors: | J Williams, S, Mark, B.L, Vocadlo, D.J, James, M.N.G, Withers, S.G. | Deposit date: | 2002-06-11 | Release date: | 2003-01-21 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Aspartate 313 in the Streptomyces plicatus hexosaminidase plays a critical
role in substrate-assisted catalysis by orienting the 2-acetamido group
and stabilizing the transition state. J.Biol.Chem., 277, 2002
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1M0O
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![BU of 1m0o by Molmil](/molmil-images/mine/1m0o) | Structure of Dialkylglycine Decarboxylase Complexed with 1-Amino-1-methylpropanephosphonate | Descriptor: | (1R)-1-[((1E)-{3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYLENE)AMINO]-1-METHYLPROPYLPHOSPHONIC ACID, 2,2-Dialkylglycine decarboxylase, POTASSIUM ION, ... | Authors: | Liu, W, Rogers, C.J, Fisher, A.J, Toney, M.D. | Deposit date: | 2002-06-13 | Release date: | 2002-10-23 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Aminophosphonate Inhibitors of Dialkylglycine Decarboxylase: Structural Basis for Slow Binding Inhibition Biochemistry, 41, 2002
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1M15
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![BU of 1m15 by Molmil](/molmil-images/mine/1m15) | Transition state structure of arginine kinase | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ARGININE, MAGNESIUM ION, ... | Authors: | Yousef, M.S, Fabiola, F, Gattis, J.L, Somasundaram, T, Chapman, M.S. | Deposit date: | 2002-06-17 | Release date: | 2002-12-04 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Refinement of the arginine kinase transition-state analogue complex at 1.2 A resolution: mechanistic insights. Acta Crystallogr.,Sect.D, 58, 2002
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2XS4
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![BU of 2xs4 by Molmil](/molmil-images/mine/2xs4) | Structure of karilysin catalytic MMP domain in complex with magnesium | Descriptor: | CHLORIDE ION, KARILYSIN PROTEASE, MAGNESIUM ION, ... | Authors: | Cerda-Costa, N, Guevara, T, Karim, A.Y, Ksiazek, M, Nguyen, K.-A, Arolas, J.L, Potempa, J, Gomis-Ruth, F.X. | Deposit date: | 2010-09-24 | Release date: | 2010-11-03 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The Structure of the Catalytic Domain of Tannerella Forsythia Karilysin Reveals It is a Bacterial Xenologue of Animal Matrix Metalloproteinases. Mol.Microbiol., 79, 2011
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1MNX
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1MP7
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![BU of 1mp7 by Molmil](/molmil-images/mine/1mp7) | A Third Complex of Post-Activated Neocarzinostatin Chromophore with DNA. Bulge DNA Binding from the Minor Groove | Descriptor: | 5'-D(*GP*CP*CP*AP*GP*AP*GP*AP*GP*C)-3', [(R)-4-((1,3-DIOXOLANE-2-OXY)-4-(S)-YL)-4-HYDROXY]-(R)-10-(2-METHYLAMINO-5-METHYL-2,6-DIDEOXYGALACTOPYRANOSYL-OXY)-(R)-11-(2-HYDROXY-5-METHYL-7-METHOXY-1-NAPHTHOYL-OXY)-(R)-12-S-GLUTATHIONYL-4,10,11,12-TETRAHYDROINDACENE | Authors: | Kwon, Y, Xi, Z, Kappen, L.S, Goldberg, I.H, Gao, X. | Deposit date: | 2002-09-11 | Release date: | 2003-02-18 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | New Complex of Post-Activated Neocarzinostatin Chromophore with DNA: Bulge DNA Binding from the Minor Groove Biochemistry, 42, 2003
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8SJQ
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![BU of 8sjq by Molmil](/molmil-images/mine/8sjq) | [3T16] Self-assembling right-handed tensegrity triangle with 16 interjunction base pairs and R3 symmetry | Descriptor: | DNA (5'-D(*CP*AP*GP*CP*AP*TP*GP*CP*CP*TP*GP*AP*TP*AP*CP*CP*GP*CP*A)-3'), DNA (5'-D(*TP*GP*CP*GP*CP*TP*GP*TP*GP*GP*CP*AP*TP*GP*C)-3'), DNA (5'-D(P*TP*CP*GP*TP*GP*GP*AP*CP*AP*GP*CP*G)-3'), ... | Authors: | Janowski, J, Vecchioni, S, Sha, R, Ohayon, Y.P. | Deposit date: | 2023-04-18 | Release date: | 2024-04-24 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (6.19 Å) | Cite: | Engineering tertiary chirality in helical biopolymers. Proc.Natl.Acad.Sci.USA, 121, 2024
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1M20
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![BU of 1m20 by Molmil](/molmil-images/mine/1m20) | Crystal Structure of F35Y Mutant of Trypsin-solubilized Fragment of Cytochrome b5 | Descriptor: | Cytochrome b5, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Yao, P, Wu, J, Wang, Y.-H, Sun, B.-Y, Xia, Z.-X, Huang, Z.-X. | Deposit date: | 2002-06-20 | Release date: | 2002-09-11 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | X-ray crystallography, CD and kinetic studies revealed the essence of the abnormal behaviors of the cytochrome b5 Phe35-->Tyr mutant. Eur.J.Biochem., 269, 2002
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2XW0
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2XKW
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![BU of 2xkw by Molmil](/molmil-images/mine/2xkw) | LIGAND BINDING DOMAIN OF HUMAN PPAR-GAMMA IN COMPLEX WITH THE AGONIST PIOGLITAZONE | Descriptor: | (5R)-5-{4-[2-(5-ethylpyridin-2-yl)ethoxy]benzyl}-1,3-thiazolidine-2,4-dione, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | Authors: | Mueller, J.J, Schupp, M, Unger, T, Kintscher, U, Heinemann, U. | Deposit date: | 2010-07-14 | Release date: | 2011-08-10 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Binding Diversity of Pioglitazone by Peroxisome Proliferator-Activated Receptor-Gamma To be Published
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2XNE
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![BU of 2xne by Molmil](/molmil-images/mine/2xne) | Structure of Aurora-A bound to an imidazopyrazine inhibitor | Descriptor: | 3-chloro-N-(4-morpholin-4-ylphenyl)-6-pyridin-3-ylimidazo[1,2-a]pyrazin-8-amine, SERINE/THREONINE-PROTEIN KINASE 6 | Authors: | Kosmopoulou, M, Bayliss, R. | Deposit date: | 2010-08-02 | Release date: | 2010-09-22 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure-based design of imidazo[1,2-a]pyrazine derivatives as selective inhibitors of Aurora-A kinase in cells. Bioorg. Med. Chem. Lett., 20, 2010
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7LON
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![BU of 7lon by Molmil](/molmil-images/mine/7lon) | Ornithine Aminotransferase (OAT) cocrystallized with its inactivator - (1S,3S)-3-amino-4-(difluoromethylene)cyclohexene-1-carboxylic acid | Descriptor: | (1R,3S,4R)-3-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]-4-methylcyclohexane-1-carboxylic acid, Ornithine aminotransferase, mitochondrial, ... | Authors: | Butrin, A, Zhu, W, Liu, D, Silverman, R. | Deposit date: | 2021-02-10 | Release date: | 2021-08-25 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Remarkable and Unexpected Mechanism for ( S )-3-Amino-4-(difluoromethylenyl)cyclohex-1-ene-1-carboxylic Acid as a Selective Inactivator of Human Ornithine Aminotransferase. J.Am.Chem.Soc., 143, 2021
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7LNM
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![BU of 7lnm by Molmil](/molmil-images/mine/7lnm) | Ornithine Aminotransferase (OAT) cocrystallized with its inactivator - (1S,3S)-3-amino-4-(difluoromethylene)cyclopentene-1-carboxylic acid | Descriptor: | (1~{R},3~{S},4~{R})-3-methyl-4-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]cyclopentane-1-carboxylic acid, Ornithine aminotransferase, mitochondrial | Authors: | Butrin, A, Catlin, D, Zhu, W, Liu, D, Silverman, R. | Deposit date: | 2021-02-07 | Release date: | 2021-08-25 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Remarkable and Unexpected Mechanism for ( S )-3-Amino-4-(difluoromethylenyl)cyclohex-1-ene-1-carboxylic Acid as a Selective Inactivator of Human Ornithine Aminotransferase. J.Am.Chem.Soc., 143, 2021
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5VWV
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![BU of 5vwv by Molmil](/molmil-images/mine/5vwv) | Bak core latch dimer in complex with Bim-BH3 - Cubic | Descriptor: | 1,2-ETHANEDIOL, Bcl-2 homologous antagonist/killer, Bcl-2-like protein 11, ... | Authors: | Brouwer, J.M, Colman, P.M, Czabotar, P.E. | Deposit date: | 2017-05-23 | Release date: | 2017-11-15 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.897 Å) | Cite: | Conversion of Bim-BH3 from Activator to Inhibitor of Bak through Structure-Based Design. Mol. Cell, 68, 2017
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2XNR
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