6CNO
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6COE
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![BU of 6coe by Molmil](/molmil-images/mine/6coe) | AtHNL enantioselectivity mutant At-A9-H7 Apo Y13C,Y121L,P126F,L128W,C131T,F179L,A209I with 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 (1.844 Å) | Cite: | AtHNL enantioselectivity mutants To be published
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5HNH
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![BU of 5hnh by Molmil](/molmil-images/mine/5hnh) | Crystal structure of pyrene- and phenanthrene-modified DNA in complex with the BpuJ1 endonuclease binding domain | Descriptor: | DNA (5'-D(*GP*(YPY)P*AP*CP*CP*CP*GP*TP*GP*GP*A)-3'), DNA (5'-D(*TP*CP*CP*AP*CP*GP*GP*GP*T*(YPY)*(YPY)*C)-3'), Restriction endonuclease R.BpuJI | Authors: | Probst, M, Aeschimann, W, Chau, T.-T.-H, Langenegger, S.M, Stocker, A, Haener, R. | Deposit date: | 2016-01-18 | Release date: | 2016-08-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.876 Å) | Cite: | Structural insight into DNA-assembled oligochromophores: crystallographic analysis of pyrene- and phenanthrene-modified DNA in complex with BpuJI endonuclease. Nucleic Acids Res., 44, 2016
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3IXM
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1RB8
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![BU of 1rb8 by Molmil](/molmil-images/mine/1rb8) | The phiX174 DNA binding protein J in two different capsid environments. | Descriptor: | 2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE, Capsid protein, DNA (5'-D(P*CP*AP*AP*A)-3'), ... | Authors: | Bernal, R.A, Hafenstein, S, Esmeralda, R, Fane, B.A, Rossmann, M.G. | Deposit date: | 2003-11-03 | Release date: | 2004-04-13 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | The phiX174 Protein J Mediates DNA Packaging and Viral Attachment to Host Cells. J.Mol.Biol., 337, 2004
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6CNM
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![BU of 6cnm by Molmil](/molmil-images/mine/6cnm) | Cryo-EM structure of the human SK4/calmodulin channel complex | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, Calmodulin-1, DODECYL-BETA-D-MALTOSIDE, ... | Authors: | Lee, C.H, MacKinnon, R. | Deposit date: | 2018-03-08 | Release date: | 2018-05-02 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Activation mechanism of a human SK-calmodulin channel complex elucidated by cryo-EM structures. Science, 360, 2018
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6COZ
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6CPE
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![BU of 6cpe by Molmil](/molmil-images/mine/6cpe) | Structure of apo, dephosphorylated Aurora A (122-403) in an active conformation | Descriptor: | 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, Aurora kinase A | Authors: | Otten, R, Kutter, S, Buosi, V, Padua, R.A.P, Kern, D. | Deposit date: | 2018-03-13 | Release date: | 2018-06-27 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Dynamics of human protein kinase Aurora A linked to drug selectivity. Elife, 7, 2018
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1A8R
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![BU of 1a8r by Molmil](/molmil-images/mine/1a8r) | GTP CYCLOHYDROLASE I (H112S MUTANT) IN COMPLEX WITH GTP | Descriptor: | GTP CYCLOHYDROLASE I, GUANOSINE-5'-TRIPHOSPHATE | Authors: | Auerbach, G, Nar, H, Bracher, A, Bacher, A, Huber, R. | Deposit date: | 1998-03-27 | Release date: | 1999-05-11 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Biosynthesis of pteridines. Reaction mechanism of GTP cyclohydrolase I. J.Mol.Biol., 326, 2003
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6C9X
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![BU of 6c9x by Molmil](/molmil-images/mine/6c9x) | THE CRYSTAL STRUCTURE OF THE alpha-Glucosidase (GH 31) FROM RUMINOCOCCUS OBEUM ATCC 29174 in complex with voglibose | Descriptor: | (1S,2S,3R,4S,5S)-5-[(1,3-dihydroxypropan-2-yl)amino]-1-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol, CHLORIDE ION, FORMIC ACID, ... | Authors: | Tan, K, Tesar, C, Jedrzejczak, R, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2018-01-29 | Release date: | 2018-03-07 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.457 Å) | Cite: | THE CRYSTAL STRUCTURE OF THE alpha-Glucosidase (GH 31) FROM RUMINOCOCCUS OBEUM ATCC 29174 in complex with voglibose To Be Published
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6BP6
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6CA3
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![BU of 6ca3 by Molmil](/molmil-images/mine/6ca3) | 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 (1.743 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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6BYA
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![BU of 6bya by Molmil](/molmil-images/mine/6bya) | Crystal structure of LdBPK_091320 with inhibitor bound | Descriptor: | 2-[2-(3-chloro-4-methoxyphenyl)ethyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2S)-2-(morpholin-4-yl)propyl]-1H-benzimidazole, UNKNOWN ATOM OR ION, Uncharacterized protein | Authors: | Dong, A, Lin, Y.H, Loppnau, P, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Hui, R, Structural Genomics Consortium (SGC) | Deposit date: | 2017-12-20 | Release date: | 2018-01-17 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Crystal structure of LdBPK_091320.1 with with inhibitor bound to be published
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1A0D
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![BU of 1a0d by Molmil](/molmil-images/mine/1a0d) | XYLOSE ISOMERASE FROM BACILLUS STEAROTHERMOPHILUS | Descriptor: | MANGANESE (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: | 2023-08-02 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Crystal Structures of Class II Xylose Isomerases from Two Thermophiles and a Hyperthermophile To be Published
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6C95
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6C9M
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5HLT
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![BU of 5hlt by Molmil](/molmil-images/mine/5hlt) | Crystal structure of pyrene- and phenanthrene-modified DNA in complex with the BpuJ1 endonuclease binding domain | Descriptor: | DNA (5'-D(*GP*YPY*TP*AP*CP*CP*CP*GP*TP*GP*GP*A)-3'), DNA (5'-D(*TP*CP*CP*AP*CP*GP*GP*GP*TP*AP*YPY*C)-3'), Restriction endonuclease R.BpuJI | Authors: | Probst, M, Aeschimann, W, Chau, T.-T.-H, Langenegger, S.M, Stocker, A, Haener, R. | Deposit date: | 2016-01-15 | Release date: | 2016-08-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.672 Å) | Cite: | Structural insight into DNA-assembled oligochromophores: crystallographic analysis of pyrene- and phenanthrene-modified DNA in complex with BpuJI endonuclease. Nucleic Acids Res., 44, 2016
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6BH9
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![BU of 6bh9 by Molmil](/molmil-images/mine/6bh9) | Caspase-3 Mutant - T152A | Descriptor: | Ac-Asp-Glu-Val-Asp-CMK, CHLORIDE ION, Caspase-3, ... | Authors: | Thomas, M.E, Grinshpon, R, Swartz, P.D, Clark, A.C. | Deposit date: | 2017-10-30 | Release date: | 2018-02-21 | Last modified: | 2018-04-25 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Modifications to a common phosphorylation network provide individualized control in caspases. J. Biol. Chem., 293, 2018
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6C9Z
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![BU of 6c9z by Molmil](/molmil-images/mine/6c9z) | THE CRYSTAL STRUCTURE OF THE alpha-Glucosidase (GH 31) W169Y mutant FROM RUMINOCOCCUS OBEUM ATCC 29174 in complex with voglibose | Descriptor: | (1S,2S,3R,4S,5S)-5-[(1,3-dihydroxypropan-2-yl)amino]-1-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol, Glycosyl hydrolase, family 31 | 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 (2.101 Å) | Cite: | THE CRYSTAL STRUCTURE OF THE alpha-Glucosidase (GH 31) W169Y mutant FROM RUMINOCOCCUS OBEUM ATCC 29174 in complex with voglibose To Be Published
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6BGS
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![BU of 6bgs by Molmil](/molmil-images/mine/6bgs) | Caspase-3 Mutant - S150Y | Descriptor: | Ac-Asp-Glu-Val-Asp-CMK, Caspase-3 | Authors: | Thomas, M.E, Grinshpon, R, Swartz, P.D, Clark, A.C. | Deposit date: | 2017-10-29 | Release date: | 2018-02-21 | Last modified: | 2018-04-25 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Modifications to a common phosphorylation network provide individualized control in caspases. J. Biol. Chem., 293, 2018
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6BK8
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![BU of 6bk8 by Molmil](/molmil-images/mine/6bk8) | S. cerevisiae spliceosomal post-catalytic P complex | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, INOSITOL HEXAKISPHOSPHATE, Lea1, ... | Authors: | Liu, S, Li, X, Zhou, Z.H, Zhao, R. | Deposit date: | 2017-11-07 | Release date: | 2018-02-21 | Last modified: | 2020-10-14 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Structure of the yeast spliceosomal postcatalytic P complex. Science, 358, 2017
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6AK4
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![BU of 6ak4 by Molmil](/molmil-images/mine/6ak4) | Crystal structure of human FTO in complex with small-molecule inhibitors | Descriptor: | (~{E})-2-cyano-~{N},~{N}-diethyl-3-[3-nitro-4,5-bis(oxidanyl)phenyl]prop-2-enamide, Alpha-ketoglutarate-dependent dioxygenase FTO,Alpha-ketoglutarate-dependent dioxygenase FTO, ZINC ION | Authors: | Wang, Y, Cao, R, Peng, S, Zhang, W, Huang, N. | Deposit date: | 2018-08-30 | Release date: | 2019-07-10 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Identification of entacapone as a chemical inhibitor of FTO mediating metabolic regulation through FOXO1. Sci Transl Med, 11, 2019
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6ALZ
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![BU of 6alz by Molmil](/molmil-images/mine/6alz) | Crystal structure of Protein Phosphatase 1 bound to the natural inhibitor Tautomycetin | Descriptor: | (2Z)-2-[(1R)-3-{[(2R,3S,4R,7S,8S,11S,13R,16E)-17-ethyl-4,8-dihydroxy-3,7,11,13-tetramethyl-6,15-dioxononadeca-16,18-dien-2-yl]oxy}-1-hydroxy-3-oxopropyl]-3-methylbut-2-enedioic acid, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Choy, M.S, Peti, W, Page, R. | Deposit date: | 2017-08-08 | Release date: | 2017-11-29 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.208 Å) | Cite: | PP1:Tautomycetin Complex Reveals a Path toward the Development of PP1-Specific Inhibitors. J. Am. Chem. Soc., 139, 2017
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5ZVF
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![BU of 5zvf by Molmil](/molmil-images/mine/5zvf) | Structure of [T9,K7]indolicidin, a non glycosylated analogue of indolicidin | Descriptor: | non glycosylated analogue of Indolicidin | Authors: | Dwivedi, R, Aggarwal, P, Kaur, K.J, Bhavesh, N.S. | Deposit date: | 2018-05-10 | Release date: | 2019-06-19 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Design of therapeutically improved analogue of the antimicrobial peptide, indolicidin, using a glycosylation strategy. Amino Acids, 51, 2019
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6APX
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![BU of 6apx by Molmil](/molmil-images/mine/6apx) | Crystal structure of human dual specificity phosphatase 1 catalytic domain (C258S) as a maltose binding protein fusion in complex with the monobody YSX1 | Descriptor: | GLYCEROL, Maltose-binding periplasmic protein,Dual specificity protein phosphatase 1, Monobody YSX1, ... | Authors: | Gumpena, R, Lountos, G.T, Sreejith, R.K, Tropea, J.E, Cherry, S, Waugh, D.S. | Deposit date: | 2017-08-18 | Release date: | 2017-11-01 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.491 Å) | Cite: | Crystal structure of the human dual specificity phosphatase 1 catalytic domain. Protein Sci., 27, 2018
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