6AY6
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![BU of 6ay6 by Molmil](/molmil-images/mine/6ay6) | Naegleria fowleri CYP51-voriconazole complex | Descriptor: | CYP51, sterol 14alpha-demethylase, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Debnath, A, Calvet, C.M, Jennings, G, Zhou, W, Aksenov, A, Luth, M, Abagyan, R, Nes, W.D, McKerrow, J.H, Podust, L.M. | Deposit date: | 2017-09-07 | Release date: | 2017-11-22 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | CYP51 is an essential drug target for the treatment of primary amoebic meningoencephalitis (PAM). PLoS Negl Trop Dis, 11, 2017
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1XKE
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![BU of 1xke by Molmil](/molmil-images/mine/1xke) | Solution structure of the second Ran-binding domain from human RanBP2 | Descriptor: | Ran-binding protein 2 | Authors: | Geyer, J.P, Doeker, R, Kremer, W, Zhao, X, Kuhlmann, J, Kalbitzer, H.R. | Deposit date: | 2004-09-28 | Release date: | 2005-04-19 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Solution structure of the Ran-binding domain 2 of RanBP2 and its interaction with the C terminus of Ran. J.Mol.Biol., 348, 2005
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3UNK
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![BU of 3unk by Molmil](/molmil-images/mine/3unk) | CDK2 in complex with inhibitor YL5-083 | Descriptor: | 4-({4-[(2-chlorophenyl)amino]pyrimidin-2-yl}amino)benzoic acid, Cyclin-dependent kinase 2, PHOSPHATE ION | Authors: | Zhu, J.-Y, Martin, M.P, Alam, R, Schonbrunn, E. | Deposit date: | 2011-11-15 | Release date: | 2012-01-25 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | A Novel Mechanism by Which Small Molecule Inhibitors Induce the DFG Flip in Aurora A. Acs Chem.Biol., 7, 2012
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6AUH
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![BU of 6auh by Molmil](/molmil-images/mine/6auh) | Artificial Metalloproteins Containing a Co4O4 Active Site - 2xm-S112Y-a | Descriptor: | N-biotin-C-Co4(mu3-O)4(OAc)(Py)3(H2O)3-beta-alanine, Streptavidin | Authors: | Olshansky, L, Vallapurakal, J, Huerta-Lavorie, R, Nguyen, A.I, Tilley, T.D, Borovik, A.S. | Deposit date: | 2017-09-01 | Release date: | 2018-02-28 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Artificial Metalloproteins Containing Co J. Am. Chem. Soc., 140, 2018
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6AYB
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![BU of 6ayb by Molmil](/molmil-images/mine/6ayb) | Naegleria fowleri CYP51-ketoconazole complex | Descriptor: | 1,2-ETHANEDIOL, 1-acetyl-4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine, CALCIUM ION, ... | Authors: | Debnath, A, Calvet, C.M, Jennings, G, Zhou, W, Aksenov, A, Luth, M, Abagyan, R, Nes, W.D, McKerrow, J.H, Podust, L.M. | Deposit date: | 2017-09-08 | Release date: | 2017-11-22 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | CYP51 is an essential drug target for the treatment of primary amoebic meningoencephalitis (PAM). PLoS Negl Trop Dis, 11, 2017
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6AUN
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![BU of 6aun by Molmil](/molmil-images/mine/6aun) | calcium-independent phospholipase A2 beta | Descriptor: | PLA2G6, iPLA2beta | Authors: | Malley, K, Koroleva, O, Miller, I, Sanishvili, R, Jenkins, C.M, Gross, R.W, Korolev, S. | Deposit date: | 2017-09-01 | Release date: | 2018-03-07 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (3.951 Å) | Cite: | The structure of iPLA2beta reveals dimeric active sites and suggests mechanisms of regulation and localization. Nat Commun, 9, 2018
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1YH5
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![BU of 1yh5 by Molmil](/molmil-images/mine/1yh5) | Solution NMR Structure of Protein yggU from Escherichia coli. Northeast Structural Genomics Consortium Target ER14. | Descriptor: | ORF, HYPOTHETICAL PROTEIN | Authors: | Aramini, J.M, Xiao, R, Huang, Y.J, Acton, T.B, Wu, M.J, Mills, J.L, Tejero, R.T, Szyperski, T, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2005-01-06 | Release date: | 2005-02-01 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Solution Structure of the Hypothetical Protein Yggu from E. Coli. Northeast Structural Genomics Consortium Target Er14. To be Published
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3JDW
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![BU of 3jdw by Molmil](/molmil-images/mine/3jdw) | CRYSTAL STRUCTURE AND MECHANISM OF L-ARGININE: GLYCINE AMIDINOTRANSFERASE: A MITOCHONDRIAL ENZYME INVOLVED IN CREATINE BIOSYNTHESIS | Descriptor: | L-ARGININE:GLYCINE AMIDINOTRANSFERASE, L-ornithine | Authors: | Humm, A, Fritsche, E, Steinbacher, S, Huber, R. | Deposit date: | 1997-01-24 | Release date: | 1998-01-28 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structure and mechanism of human L-arginine:glycine amidinotransferase: a mitochondrial enzyme involved in creatine biosynthesis. EMBO J., 16, 1997
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1A0C
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![BU of 1a0c by Molmil](/molmil-images/mine/1a0c) | XYLOSE ISOMERASE FROM THERMOANAEROBACTERIUM THERMOSULFURIGENES | Descriptor: | COBALT (II) ION, XYLOSE ISOMERASE | Authors: | Gallay, O, Chopra, R, Conti, E, Brick, P, Blow, D. | Deposit date: | 1997-11-28 | Release date: | 1998-06-03 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal Structures of Class II Xylose Isomerases from Two Thermophiles and a Hyperthermophile To be Published
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6CJV
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![BU of 6cjv by Molmil](/molmil-images/mine/6cjv) | Carbonic anhydrase IX-mimic in complex with sucralose | Descriptor: | 4-chloro-4-deoxy-alpha-D-galactopyranose-(1-2)-1,6-dichloro-1,6-dideoxy-beta-D-fructofuranose, Carbonic anhydrase 2, ZINC ION | Authors: | Lomelino, C.L, Murray, A.B, McKenna, R. | Deposit date: | 2018-02-26 | Release date: | 2018-08-08 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.547 Å) | Cite: | Sweet Binders: Carbonic Anhydrase IX in Complex with Sucralose. ACS Med Chem Lett, 9, 2018
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6JKU
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![BU of 6jku by Molmil](/molmil-images/mine/6jku) | Crystal structure of N-acetylglucosamine-6-phosphate deacetylase from Pasteurella Multocida | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, N-acetylglucosamine-6-phosphate deacetylase, ... | Authors: | Manjunath, L, Bose, S, Subramanian, R. | Deposit date: | 2019-03-01 | Release date: | 2020-03-04 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Quaternary variations in the structural assembly of N-acetylglucosamine-6-phosphate deacetylase from Pasteurella multocida. Proteins, 2020
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6COB
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![BU of 6cob by Molmil](/molmil-images/mine/6cob) | AtHNL enantioselectivity mutant At-A9-H7 Apo, Y13C,Y121L,P126F,L128W,C131T,F179L,A209I | Descriptor: | Alpha-hydroxynitrile lyase, CHLORIDE ION, GLYCEROL | Authors: | Jones, B.J, Kazlauskas, R.J, Desrouleaux, R. | Deposit date: | 2018-03-12 | Release date: | 2019-03-20 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | AtHNL enantioselectivity mutants To be published
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6COI
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![BU of 6coi by Molmil](/molmil-images/mine/6coi) | AtHNL enantioselectivity mutant At-A9-H7 Apo, Y13C,Y121L,P126F,L128W,C131T,A209I with CYANIDE, benzaldehyde, MANDELIC ACID NITRILE | Descriptor: | (2R)-hydroxy(phenyl)ethanenitrile, (S)-MANDELIC ACID NITRILE, Alpha-hydroxynitrile lyase, ... | Authors: | Jones, B.J, Kazlauskas, R.J, Desrouleaux, R. | Deposit date: | 2018-03-12 | Release date: | 2019-03-20 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.024 Å) | Cite: | AtHNL enantioselectivity mutants To be published
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2KL8
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![BU of 2kl8 by Molmil](/molmil-images/mine/2kl8) | Solution NMR Structure of de novo designed ferredoxin-like fold protein, Northeast Structural Genomics Consortium Target OR15 | Descriptor: | OR15 | Authors: | Liu, G, Koga, N, Jiang, M, Koga, R, Xiao, R, Ciccosanti, C, Baker, D, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2009-06-30 | Release date: | 2009-07-28 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Principles for designing ideal protein structures. Nature, 491, 2012
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6CQK
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![BU of 6cqk by Molmil](/molmil-images/mine/6cqk) | Crystal Structure of mitochondrial single-stranded DNA binding proteins from S. cerevisiae, Rim1 (Form1) | Descriptor: | SsDNA-binding protein essential for mitochondrial genome maintenance | Authors: | Singh, S.P, Kukshal, V, Bona, P.D, Lytle, A.K, Edwin, A, Galletto, R. | Deposit date: | 2018-03-15 | Release date: | 2018-05-30 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | The mitochondrial single-stranded DNA binding protein from S. cerevisiae, Rim1, does not form stable homo-tetramers and binds DNA as a dimer of dimers. Nucleic Acids Res., 46, 2018
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1THT
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![BU of 1tht by Molmil](/molmil-images/mine/1tht) | STRUCTURE OF A MYRISTOYL-ACP-SPECIFIC THIOESTERASE FROM VIBRIO HARVEYI | Descriptor: | THIOESTERASE | Authors: | Lawson, D.M, Derewenda, U, Serre, L, Ferri, S, Szitter, R, Wei, Y, Meighen, E.A, Derewenda, Z.S. | Deposit date: | 1994-04-19 | Release date: | 1995-06-07 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure of a myristoyl-ACP-specific thioesterase from Vibrio harveyi. Biochemistry, 33, 1994
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6CEA
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![BU of 6cea by Molmil](/molmil-images/mine/6cea) | Crystal structure of fragment 3-(quinolin-2-yl)propanoic acid bound in the ubiquitin binding pocket of the HDAC6 zinc-finger domain | Descriptor: | 3-(quinolin-2-yl)propanoic acid, Histone deacetylase 6, UNKNOWN ATOM OR ION, ... | Authors: | Harding, R.J, Halabelian, L, Ferreira de Freitas, R, Ravichandran, M, Santhakumar, V, Schapira, M, Bountra, C, Edwards, A.M, Arrowsmith, C.M, Structural Genomics Consortium (SGC) | Deposit date: | 2018-02-11 | Release date: | 2018-02-28 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Identification and Structure-Activity Relationship of HDAC6 Zinc-Finger Ubiquitin Binding Domain Inhibitors. J. Med. Chem., 61, 2018
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6CEE
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![BU of 6cee by Molmil](/molmil-images/mine/6cee) | Crystal structure of fragment 3-(1-Methyl-2-oxo-1,2-dihydroquinoxalin-3-yl)propionic acid bound in the ubiquitin binding pocket of the HDAC6 zinc-finger domain | Descriptor: | 3-(4-methyl-3-oxo-3,4-dihydroquinoxalin-2-yl)propanoic acid, Histone deacetylase 6, UNKNOWN ATOM OR ION, ... | Authors: | Harding, R.J, Halabelian, L, Ferreira de Freitas, R, Franzoni, I, Ravichandran, M, Lautens, M, Santhakumar, V, Schapira, M, Bountra, C, Edwards, A.M, Arrowsmith, C.M, Structural Genomics Consortium (SGC) | Deposit date: | 2018-02-11 | Release date: | 2018-02-28 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Identification and Structure-Activity Relationship of HDAC6 Zinc-Finger Ubiquitin Binding Domain Inhibitors. J. Med. Chem., 61, 2018
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6BQT
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1AQW
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![BU of 1aqw by Molmil](/molmil-images/mine/1aqw) | GLUTATHIONE S-TRANSFERASE IN COMPLEX WITH GLUTATHIONE | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLUTATHIONE, GLUTATHIONE S-TRANSFERASE | Authors: | Prade, L, Huber, R, Manoharan, T.H, Fahl, W.E, Reuter, W. | Deposit date: | 1997-08-03 | Release date: | 1998-03-18 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structures of class pi glutathione S-transferase from human placenta in complex with substrate, transition-state analogue and inhibitor. Structure, 5, 1997
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6C6U
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![BU of 6c6u by Molmil](/molmil-images/mine/6c6u) | CryoEM structure of E.coli RNA polymerase elongation complex bound with NusG | Descriptor: | DNA (29-MER), DNA-DIRECTED RNA POLYMERASE BETA', DNA-directed RNA polymerase subunit alpha, ... | Authors: | Kang, J.Y, Artsimovitch, I, Landick, R, Darst, S.A. | Deposit date: | 2018-01-19 | Release date: | 2018-07-25 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Structural Basis for Transcript Elongation Control by NusG Family Universal Regulators. Cell, 173, 2018
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6CA1
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![BU of 6ca1 by Molmil](/molmil-images/mine/6ca1) | THE CRYSTAL STRUCTURE OF THE W169Y MUTANT OF ALPHA-GLUCOSIDASE (GH 31) FROM RUMINOCOCCUS OBEUM ATCC 29174 in complex with miglitol | Descriptor: | (2R,3R,4R,5S)-1-(2-hydroxyethyl)-2-(hydroxymethyl)piperidine-3,4,5-triol, GLYCEROL, Glycosyl hydrolase, ... | Authors: | Tan, K, Tesar, C, Jedrzejczak, R, Joachimiak, A, Midwest Center for Macromolecular Research (MCMR) | Deposit date: | 2018-01-29 | Release date: | 2018-02-28 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | THE CRYSTAL STRUCTURE OF THE W169Y MUTANT OF ALPHA-GLUCOSIDASE (GH 31) FROM RUMINOCOCCUS OBEUM ATCC 29174 in complex with miglitol To Be Published
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2KKO
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![BU of 2kko by Molmil](/molmil-images/mine/2kko) | Solution NMR structure of the homodimeric winged helix-turn-helix DNA-binding domain (fragment 1-100) Mb0332 from Mycobacterium bovis, a possible ArsR-family transcriptional regulator. Northeast Structural Genomics Consortium Target MbR242E. | Descriptor: | POSSIBLE TRANSCRIPTIONAL REGULATORY PROTEIN (POSSIBLY ARSR-FAMILY) | Authors: | Ramelot, T.A, Cort, J.R, Wang, D, Ciccosanti, C, Jiang, M, Nair, R, Rost, B, Swapna, G, Acton, T.B, Xiao, R, Everett, J.K, Montelione, G.T, Kennedy, M.A, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2009-06-26 | Release date: | 2009-08-11 | Last modified: | 2024-05-08 | Method: | SOLUTION NMR | Cite: | Solution NMR structure of the homodimeric winged helix-turn-helix DNA-binding domain (fragment 1-100) Mb0332 from Mycobacterium bovis, a possible ArsR-family transcriptional regulator. Northeast Structural Genomics Consortium Target MbR242E. To be Published
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6C24
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![BU of 6c24 by Molmil](/molmil-images/mine/6c24) | Cryo-EM structure of PRC2 bound to cofactors AEBP2 and JARID2 in the Extended Active State | Descriptor: | Histone-binding protein RBBP4, Histone-lysine N-methyltransferase EZH2, JARID2-substrate, ... | Authors: | Kasinath, V, Faini, M, Poepsel, S, Reif, D, Feng, A, Stjepanovic, G, Aebersold, R, Nogales, E. | Deposit date: | 2018-01-06 | Release date: | 2018-01-24 | Last modified: | 2019-12-18 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Structures of human PRC2 with its cofactors AEBP2 and JARID2. Science, 359, 2018
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6C3P
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![BU of 6c3p by Molmil](/molmil-images/mine/6c3p) | Cryo-EM structure of human KATP bound to ATP and ADP in propeller form | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP-binding cassette sub-family C member 8, ... | Authors: | Lee, K.P.K, Chen, J, MacKinnon, R. | Deposit date: | 2018-01-10 | Release date: | 2018-01-24 | Method: | ELECTRON MICROSCOPY (5.6 Å) | Cite: | Molecular structure of human KATP in complex with ATP and ADP. Elife, 6, 2017
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