4FIA
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![BU of 4fia by Molmil](/molmil-images/mine/4fia) | Crystal Structure of Human CYP46A1 P450 with bicalutamide Bound | Descriptor: | Cholesterol 24-hydroxylase, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Stout, C.D, Pikuleva, I.A, Mast, N. | Deposit date: | 2012-06-08 | Release date: | 2013-01-09 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Binding of a cyano- and fluoro-containing drug bicalutamide to cytochrome P450 46A1: unusual features and spectral response. J.Biol.Chem., 288, 2013
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4FOO
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4FRO
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![BU of 4fro by Molmil](/molmil-images/mine/4fro) | Crystal Structure of BBBB+UDP+Gal at pH 9.0 with MPD as the cryoprotectant | Descriptor: | GLYCINE, Histo-blood group ABO system transferase, MANGANESE (II) ION, ... | Authors: | Johal, A.R, Alfaro, J.A, Blackler, R.J, Schuman, B, Borisova, S.N, Evans, S.V. | Deposit date: | 2012-06-26 | Release date: | 2013-12-25 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | pH-induced conformational changes in human ABO(H) blood group glycosyltransferases confirm the importance of electrostatic interactions in the formation of the semi-closed state. Glycobiology, 24, 2014
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4FB9
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![BU of 4fb9 by Molmil](/molmil-images/mine/4fb9) | Structure of mutant RIP from barley seeds | Descriptor: | Protein synthesis inhibitor I | Authors: | Lee, B.-G, Kim, M.K, Suh, S.W, Song, H.K. | Deposit date: | 2012-05-22 | Release date: | 2012-10-31 | Last modified: | 2013-01-23 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structures of the ribosome-inactivating protein from barley seeds reveal a unique activation mechanism. Acta Crystallogr.,Sect.D, 68, 2012
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4FED
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![BU of 4fed by Molmil](/molmil-images/mine/4fed) | Crystal Structure of Htt36Q3H | Descriptor: | CALCIUM ION, Maltose-binding periplasmic protein,Huntingtin, ZINC ION | Authors: | Kim, M. | Deposit date: | 2012-05-30 | Release date: | 2013-03-13 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.807 Å) | Cite: | Beta conformation of polyglutamine track revealed by a crystal structure of Huntingtin N-terminal region with insertion of three histidine residues. Prion, 7, 2013
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4FHA
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![BU of 4fha by Molmil](/molmil-images/mine/4fha) | Structure of Dihydrodipicolinate Synthase from Streptococcus pneumoniae,bound to pyruvate and lysine | Descriptor: | Dihydrodipicolinate synthase, LYSINE, SODIUM ION | Authors: | Perugini, M.A, Dogovski, C, Parker, M.W, Gorman, M.A. | Deposit date: | 2012-06-06 | Release date: | 2013-09-18 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Structure, Function, Stability and Knockout Phenotype of Dihydrodipicolinate Synthase from Streptococcus pneumoniae To be Published
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4FM7
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![BU of 4fm7 by Molmil](/molmil-images/mine/4fm7) | Crystal Structure of BACE with Compound 14g | Descriptor: | 4-{[(5R,7S)-1-(3-fluorophenyl)-3,7-dimethyl-2,2-dioxido-2-thia-1,3,8-triazaspiro[4.5]dec-8-yl]methyl}-2-(propan-2-yloxy)phenol, Beta-secretase 1, ZINC ION | Authors: | Vajdos, F.F, Varghese, A.H. | Deposit date: | 2012-06-15 | Release date: | 2012-10-03 | Last modified: | 2013-06-19 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Spirocyclic sulfamides as beta-secretase 1 (BACE-1) inhibitors for the treatment of Alzheimer's disease: utilization of structure based drug design, WaterMap, and CNS penetration studies to identify centrally efficacious inhibitors. J.Med.Chem., 55, 2012
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4FME
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![BU of 4fme by Molmil](/molmil-images/mine/4fme) | EspG-Rab1-Arf6 complex | Descriptor: | ADP-ribosylation factor 6, ALUMINUM FLUORIDE, EspG protein, ... | Authors: | Shao, F, Zhu, Y. | Deposit date: | 2012-06-16 | Release date: | 2012-09-05 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (4.1 Å) | Cite: | Structurally Distinct Bacterial TBC-like GAPs Link Arf GTPase to Rab1 Inactivation to Counteract Host Defenses. Cell(Cambridge,Mass.), 150, 2012
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4FNX
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4FOC
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![BU of 4foc by Molmil](/molmil-images/mine/4foc) | Crystal structure of human anaplastic lymphoma kinase in complex with acyliminobenzimidazole inhibitor 2 | Descriptor: | ALK tyrosine kinase receptor, methyl cis-4-[2-(benzoylamino)-6-(piperidin-1-ylmethyl)-1H-benzimidazol-1-yl]cyclohexanecarboxylate | Authors: | Whittington, D.A, Epstein, L.F, Chen, H. | Deposit date: | 2012-06-20 | Release date: | 2012-07-11 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The Discovery and Optimization of a Novel Class of Potent, Selective, and Orally Bioavailable Anaplastic Lymphoma Kinase (ALK) Inhibitors with Potential Utility for the Treatment of Cancer. J.Med.Chem., 55, 2012
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4FOD
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![BU of 4fod by Molmil](/molmil-images/mine/4fod) | Crystal structure of human anaplastic lymphoma kinase in complex with acyliminobenzimidazole inhibitor 36 | Descriptor: | 4-fluoro-N-{(2E)-6-{[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl}-1-[cis-4-(propan-2-ylcarbamoyl)cyclohexyl]-1,3-dihydro-2H-benzimidazol-2-ylidene}benzamide, ALK tyrosine kinase receptor, GLYCEROL | Authors: | Whittington, D.A, Epstein, L.F, Chen, H. | Deposit date: | 2012-06-20 | Release date: | 2012-07-11 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The Discovery and Optimization of a Novel Class of Potent, Selective, and Orally Bioavailable Anaplastic Lymphoma Kinase (ALK) Inhibitors with Potential Utility for the Treatment of Cancer. J.Med.Chem., 55, 2012
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4FQ8
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![BU of 4fq8 by Molmil](/molmil-images/mine/4fq8) | Crystal Structure of Shikimate Dehydrogenase (aroE) Y210A Mutant from Helicobacter pylori in Complex with Shikimate | Descriptor: | (3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-1-ENE-1-CARBOXYLIC ACID, Shikimate dehydrogenase | Authors: | Cheng, W.C, Chen, T.J, Wang, W.C. | Deposit date: | 2012-06-25 | Release date: | 2012-12-26 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: |
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4FRK
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![BU of 4frk by Molmil](/molmil-images/mine/4frk) | Crystal structure of BACE1 in complex with aminooxazoline xanthene 11a | Descriptor: | (4S)-2'-(2-methylpropoxy)-7'-(pyrimidin-5-yl)spiro[1,3-oxazole-4,9'-xanthen]-2-amine, Beta-secretase 1, GLYCEROL, ... | Authors: | Whittington, D.A, Long, A.M. | Deposit date: | 2012-06-26 | Release date: | 2012-09-12 | Last modified: | 2012-12-12 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure- and Property-Based Design of Aminooxazoline Xanthenes as Selective, Orally Efficacious, and CNS Penetrable BACE Inhibitors for the Treatment of Alzheimer's Disease. J.Med.Chem., 55, 2012
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4FEB
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![BU of 4feb by Molmil](/molmil-images/mine/4feb) | Crystal Structure of Htt36Q3H-EX1-X1-C2(Beta) | Descriptor: | Maltose-binding periplasmic protein,Huntingtin, SODIUM ION, ZINC ION | Authors: | Kim, M. | Deposit date: | 2012-05-29 | Release date: | 2013-03-13 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Beta conformation of polyglutamine track revealed by a crystal structure of Huntingtin N-terminal region with insertion of three histidine residues. Prion, 7, 2013
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4FEZ
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![BU of 4fez by Molmil](/molmil-images/mine/4fez) | Inosine 5'-monophosphate dehydrogenase from Vibrio cholerae, deletion mutant | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, FORMIC ACID, ... | Authors: | Osipiuk, J, Maltseva, N, Makowska-Grzyska, M, Gu, M, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2012-05-30 | Release date: | 2012-06-13 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | Inosine 5'-monophosphate dehydrogenase from Vibrio cholerae, deletion mutant. To be Published
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8SC8
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![BU of 8sc8 by Molmil](/molmil-images/mine/8sc8) | Structure of PI3KG in complex with MTX-531 | Descriptor: | N-[(5P)-2-chloro-5-(4-{[(1R)-1-phenylethyl]amino}quinazolin-6-yl)pyridin-3-yl]methanesulfonamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION | Authors: | Whitehead, C.E, Leopold, J. | Deposit date: | 2023-04-05 | Release date: | 2024-06-12 | Method: | X-RAY DIFFRACTION (2.687 Å) | Cite: | Structure of PI3KG in complex with MTX-531 To Be Published
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4FI8
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![BU of 4fi8 by Molmil](/molmil-images/mine/4fi8) | Kinetic Stabilization of transthyretin through covalent modification of K15 by 4-bromo-3-(5-(3,5-dichloro-4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl)-benzenesulfonamide | Descriptor: | 4-bromo-3-[5-(3,5-dichloro-4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonyl fluoride, Transthyretin | Authors: | Connelly, S, Grimster, N, Wilson, I.A, Kelly, J.W. | Deposit date: | 2012-06-08 | Release date: | 2013-02-20 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.22 Å) | Cite: | Aromatic Sulfonyl Fluorides Covalently Kinetically Stabilize Transthyretin to Prevent Amyloidogenesis while Affording a Fluorescent Conjugate. J.Am.Chem.Soc., 135, 2013
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4FHK
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![BU of 4fhk by Molmil](/molmil-images/mine/4fhk) | Crystal Structure of PI3K-gamma in Complex with Imidazopyridazine 19e | Descriptor: | 3-[2-methyl-6-(pyrazin-2-ylamino)pyrimidin-4-yl]-N-(1H-pyrazol-3-yl)imidazo[1,2-b]pyridazin-2-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION | Authors: | Shaffer, P.L, Tang, J, Yakowec, P. | Deposit date: | 2012-06-06 | Release date: | 2013-04-10 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Discovery and optimization of potent and selective imidazopyridine and imidazopyridazine mTOR inhibitors. Bioorg.Med.Chem.Lett., 22, 2012
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8SC7
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4FMB
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![BU of 4fmb by Molmil](/molmil-images/mine/4fmb) | VirA-Rab1 complex structure | Descriptor: | ALUMINUM FLUORIDE, Cysteine protease-like virA, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Shao, F, Zhu, Y. | Deposit date: | 2012-06-16 | Release date: | 2012-09-05 | Last modified: | 2012-10-03 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structurally Distinct Bacterial TBC-like GAPs Link Arf GTPase to Rab1 Inactivation to Counteract Host Defenses. Cell(Cambridge,Mass.), 150, 2012
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4FP9
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![BU of 4fp9 by Molmil](/molmil-images/mine/4fp9) | Human MTERF4-NSUN4 protein complex | Descriptor: | S-ADENOSYLMETHIONINE, SULFATE ION, mTERF domain-containing protein 2, ... | Authors: | Spahr, H, Hallberg, B.M. | Deposit date: | 2012-06-21 | Release date: | 2012-09-12 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structure of the human MTERF4-NSUN4 protein complex that regulates mitochondrial ribosome biogenesis. Proc.Natl.Acad.Sci.USA, 109, 2012
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4FOS
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![BU of 4fos by Molmil](/molmil-images/mine/4fos) | Crystal Structure of Shikimate Dehydrogenase (aroE) Q237A Mutant from Helicobacter pylori in Complex with Shikimate | Descriptor: | (3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-1-ENE-1-CARBOXYLIC ACID, Shikimate dehydrogenase | Authors: | Cheng, W.C, Chen, T.J, Wang, W.C. | Deposit date: | 2012-06-21 | Release date: | 2012-12-26 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: |
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4FRH
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![BU of 4frh by Molmil](/molmil-images/mine/4frh) | Crystal Structure of BBBB+UDP+Gal at pH 7.5 with MPD as the cryoprotectant | Descriptor: | DI(HYDROXYETHYL)ETHER, Histo-blood group ABO system transferase, MANGANESE (II) ION, ... | Authors: | Johal, A.R, Alfaro, J.A, Blackler, R.J, Schuman, B, Borisova, S.N, Evans, S.V. | Deposit date: | 2012-06-26 | Release date: | 2013-12-25 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | pH-induced conformational changes in human ABO(H) blood group glycosyltransferases confirm the importance of electrostatic interactions in the formation of the semi-closed state. Glycobiology, 24, 2014
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4FRQ
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![BU of 4frq by Molmil](/molmil-images/mine/4frq) | Crystal Structure of BBBB+UDP+Gal at pH 9.5 with MPD as the cryoprotectant | Descriptor: | DI(HYDROXYETHYL)ETHER, Histo-blood group ABO system transferase, MANGANESE (II) ION, ... | Authors: | Johal, A.R, Alfaro, J.A, Blackler, R.J, Schuman, B, Borisova, S.N, Evans, S.V. | Deposit date: | 2012-06-26 | Release date: | 2013-12-25 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | pH-induced conformational changes in human ABO(H) blood group glycosyltransferases confirm the importance of electrostatic interactions in the formation of the semi-closed state. Glycobiology, 24, 2014
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4FPY
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![BU of 4fpy by Molmil](/molmil-images/mine/4fpy) | |