4N9P
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![BU of 4n9p by Molmil](/molmil-images/mine/4n9p) | Crystal structure of Staphylococcal nuclease variant Delta+PHS V23T/L25A/V99T at cryogenic temperature | Descriptor: | CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease | Authors: | Caro, J.A, Schlessman, J.L, Heroux, A, Garcia-Moreno E, B. | Deposit date: | 2013-10-21 | Release date: | 2013-12-04 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Cavities in proteins To be Published
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5TRF
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![BU of 5trf by Molmil](/molmil-images/mine/5trf) | MDM2 in complex with SAR405838 | Descriptor: | (2'S,3R,4'S,5'R)-6-chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-N-(trans-4-hydroxycyclohexyl)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxamide, E3 ubiquitin-protein ligase Mdm2, GLYCEROL, ... | Authors: | Meagher, J.L, Stuckey, J.A. | Deposit date: | 2016-10-26 | Release date: | 2016-11-09 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | SAR405838: an optimized inhibitor of MDM2-p53 interaction that induces complete and durable tumor regression. Cancer Res., 74, 2014
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4MZK
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![BU of 4mzk by Molmil](/molmil-images/mine/4mzk) | Crystal Structure of MTIP from Plasmodium falciparum in complex with pGly[807,811], a stapled myoA tail peptide | Descriptor: | Myosin A tail domain interacting protein, pGly[807,811], a stapled myoA tail peptide | Authors: | Douse, C.H, Garnett, J.A, Maas, S.J, Cota, E, Tate, E.W. | Deposit date: | 2013-09-30 | Release date: | 2013-11-06 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Crystal Structures of Stapled and Hydrogen Bond Surrogate Peptides Targeting a Fully Buried Protein-Helix Interaction. Acs Chem.Biol., 8, 2014
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4N4U
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![BU of 4n4u by Molmil](/molmil-images/mine/4n4u) | Crystal structure of ABC transporter solute binding protein BB0719 from Bordetella bronchiseptica RB50, TARGET EFI-510049 | Descriptor: | GLYCEROL, Putative ABC transporter periplasmic solute-binding protein | Authors: | Patskovsky, Y, Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N, Stead, M, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Jacobson, M.P, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2013-10-08 | Release date: | 2013-10-23 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes. Biochemistry, 54, 2015
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4N9T
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![BU of 4n9t by Molmil](/molmil-images/mine/4n9t) | Crystal structure of Staphylococcal nuclease variant Delta+PHS V66A/I92S at cryogenic temperature | Descriptor: | CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease | Authors: | Caro, J.A, Schlessman, J.L, Heroux, A, Garcia-Moreno E, B. | Deposit date: | 2013-10-21 | Release date: | 2013-10-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Cavities in proteins To be Published
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5TYY
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![BU of 5tyy by Molmil](/molmil-images/mine/5tyy) | DNA Polymerase Mu Product Complex, Mn2+ (60 min) | Descriptor: | 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | Authors: | Jamsen, J.A, Wilson, S.H. | Deposit date: | 2016-11-21 | Release date: | 2017-08-30 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.931 Å) | Cite: | Time-lapse crystallography snapshots of a double-strand break repair polymerase in action. Nat Commun, 8, 2017
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4LCV
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![BU of 4lcv by Molmil](/molmil-images/mine/4lcv) | Crystal Structure of DOC2B C2A domain | Descriptor: | BETA-MERCAPTOETHANOL, CALCIUM ION, CITRATE ANION, ... | Authors: | Giladi, M, Almagor, L, Hirsch, J.A. | Deposit date: | 2013-06-23 | Release date: | 2013-09-11 | Last modified: | 2013-11-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The C2B Domain Is the Primary Ca(2+) Sensor in DOC2B: A Structural and Functional Analysis. J.Mol.Biol., 425, 2013
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4LLS
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![BU of 4lls by Molmil](/molmil-images/mine/4lls) | Crystal structure of a farnesyl diphosphate synthase from Roseobacter denitrificans OCh 114, target EFI-509393, with IPP, GSPP, and calcium bound in active site | Descriptor: | 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, CALCIUM ION, GERANYL S-THIOLODIPHOSPHATE, ... | Authors: | Kim, J, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Stead, M, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2013-07-09 | Release date: | 2013-07-24 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystal structure of a farnesyl diphosphate synthase from Roseobacter denitrificans OCh 114, target EFI-509393, with IPP, GSPP and calcium bound in active site To be Published
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5UYX
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![BU of 5uyx by Molmil](/molmil-images/mine/5uyx) | Structure of Human T-complex protein 1 subunit epsilon (CCT5) | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, T-complex protein 1 subunit epsilon | Authors: | Pereira, J.H, McAndrew, R.P, Sergeeva, O.A, Ralston, C.Y, King, J.A, Adams, P.D. | Deposit date: | 2017-02-24 | Release date: | 2017-07-05 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Structure of the human TRiC/CCT Subunit 5 associated with hereditary sensory neuropathy. Sci Rep, 7, 2017
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4LFG
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![BU of 4lfg by Molmil](/molmil-images/mine/4lfg) | Crystal structure of geranylgeranyl diphosphate synthase sub1274 (target efi-509455) from streptococcus uberis 0140j with bound magnesium and isopentyl diphosphate, fully liganded complex; | Descriptor: | 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, Geranylgeranyl Diphosphate Synthase, MAGNESIUM ION | Authors: | Patskovsky, Y, Toro, R, Bhosle, R, Hillerich, B, Seidel, R.D, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Imker, H.J, Al Obaidi, N, Stead, M, Love, J, Poulter, C.D, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2013-06-26 | Release date: | 2013-07-10 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Crystal Structure of Geranylgeranyl Diphosphate Synthase from Streptococcus Uberis 0140J To be Published
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5V3I
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![BU of 5v3i by Molmil](/molmil-images/mine/5v3i) | |
5UOO
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![BU of 5uoo by Molmil](/molmil-images/mine/5uoo) | BRD4 bromodomain 2 in complex with CD161 | Descriptor: | 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-4-(quinolin-4-yl)-9H-pyrimido[4,5-b]indole, Bromodomain-containing protein 4 | Authors: | Meagher, J.L, Stuckey, J.A. | Deposit date: | 2017-02-01 | Release date: | 2017-05-17 | Last modified: | 2017-11-22 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Structure-Based Discovery of 4-(6-Methoxy-2-methyl-4-(quinolin-4-yl)-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethylisoxazole (CD161) as a Potent and Orally Bioavailable BET Bromodomain Inhibitor. J. Med. Chem., 60, 2017
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4LSK
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![BU of 4lsk by Molmil](/molmil-images/mine/4lsk) | Crystal Structure of tRNA Proline (CGG) Bound to Codon CCG-G on the Ribosome | Descriptor: | 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ... | Authors: | Maehigashi, T, Dunkle, J.A, Dunham, C.M. | Deposit date: | 2013-07-22 | Release date: | 2014-08-06 | Last modified: | 2014-12-10 | Method: | X-RAY DIFFRACTION (3.48000622 Å) | Cite: | Structural insights into +1 frameshifting promoted by expanded or modification-deficient anticodon stem loops. Proc.Natl.Acad.Sci.USA, 111, 2014
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4M1Y
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![BU of 4m1y by Molmil](/molmil-images/mine/4m1y) | Crystal Structure of small molecule vinylsulfonamide 15 covalently bound to K-Ras G12C | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, K-Ras GTPase, N-{1-[N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)glycyl]piperidin-4-yl}ethanesulfonamide | Authors: | Ostrem, J.M, Peters, U, Sos, M.L, Wells, J.A, Shokat, K.M. | Deposit date: | 2013-08-04 | Release date: | 2013-11-27 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.491 Å) | Cite: | K-Ras(G12C) inhibitors allosterically control GTP affinity and effector interactions. Nature, 503, 2013
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5V5B
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![BU of 5v5b by Molmil](/molmil-images/mine/5v5b) | KVQIINKKLD, Structure of the amyloid spine from microtubule associated protein tau Repeat 2 | Descriptor: | Microtubule-associated protein tau | Authors: | Seidler, P.M, Sawaya, M.R, Rodriguez, J.A, Eisenberg, D.S, Cascio, D, Boyer, D.R. | Deposit date: | 2017-03-13 | Release date: | 2018-02-07 | Last modified: | 2024-03-13 | Method: | ELECTRON CRYSTALLOGRAPHY (1.5 Å) | Cite: | Structure-based inhibitors of tau aggregation. Nat Chem, 10, 2018
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4LTZ
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![BU of 4ltz by Molmil](/molmil-images/mine/4ltz) | F95M Epi-isozizaene synthase: Complex with Mg, inorganic pyrophosphate and benzyl triethyl ammonium cation | Descriptor: | Epi-isozizaene synthase, GLYCEROL, MAGNESIUM ION, ... | Authors: | Li, R, Chou, W, Himmelberger, J.A, Litwin, K, Harris, G, Cane, D.E, Christianson, D.W. | Deposit date: | 2013-07-24 | Release date: | 2013-12-18 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.448 Å) | Cite: | Reprogramming the Chemodiversity of Terpenoid Cyclization by Remolding the Active Site Contour of epi-Isozizaene Synthase. Biochemistry, 53, 2014
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4LUU
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![BU of 4luu by Molmil](/molmil-images/mine/4luu) | V329A Epi-isozizaene synthase: Complex with Mg, inorganic pyrophosphate and benzyl triethyl ammonium cation | Descriptor: | Epi-isozizaene synthase, GLYCEROL, MAGNESIUM ION, ... | Authors: | Li, R, Chou, W, Himmelberger, J.A, Litwin, K, Harris, G, Cane, D.E, Christianson, D.W. | Deposit date: | 2013-07-25 | Release date: | 2013-12-18 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Reprogramming the Chemodiversity of Terpenoid Cyclization by Remolding the Active Site Contour of epi-Isozizaene Synthase. Biochemistry, 53, 2014
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4LFZ
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![BU of 4lfz by Molmil](/molmil-images/mine/4lfz) | Crystal Structure of Frameshift Suppressor tRNA SufA6 Bound to Codon CCC-U in the Absence of Paromomycin | Descriptor: | 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ... | Authors: | Maehigashi, T, Dunkle, J.A, Dunham, C.M. | Deposit date: | 2013-06-27 | Release date: | 2014-08-06 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (3.92000055 Å) | Cite: | Structural insights into +1 frameshifting promoted by expanded or modification-deficient anticodon stem loops. Proc.Natl.Acad.Sci.USA, 111, 2014
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4KXO
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![BU of 4kxo by Molmil](/molmil-images/mine/4kxo) | Crystal Structure of BBBB at pH 10.0 with MPD as the cryoprotectant | Descriptor: | Histo-blood group ABO system transferase | Authors: | Johal, A.R, Blackler, R.J, Alfaro, J.A, Schuman, B, Borisova, S.N, Evans, S.V. | Deposit date: | 2013-05-27 | Release date: | 2014-04-09 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2 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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4LE8
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![BU of 4le8 by Molmil](/molmil-images/mine/4le8) | |
5TUH
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![BU of 5tuh by Molmil](/molmil-images/mine/5tuh) | |
4KWD
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![BU of 4kwd by Molmil](/molmil-images/mine/4kwd) | Crystal structure of Aspergillus terreus aristolochene synthase complexed with (1R,8R,9aS)-1,9a-dimethyl-8-(prop-1-en-2-yl)decahydroquinolizin-5-ium | Descriptor: | (1R,5R,8R,9aS)-1,9a-dimethyl-8-(prop-1-en-2-yl)octahydro-2H-quinolizinium, Aristolochene synthase, GLYCEROL, ... | Authors: | Chen, M, Al-lami, N, Janvier, M, D'Antonio, E.L, Faraldos, J.A, Cane, D.E, Allemann, R.K, Christianson, D.W. | Deposit date: | 2013-05-23 | Release date: | 2013-08-14 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.857 Å) | Cite: | Mechanistic insights from the binding of substrate and carbocation intermediate analogues to aristolochene synthase. Biochemistry, 52, 2013
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5TYZ
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![BU of 5tyz by Molmil](/molmil-images/mine/5tyz) | DNA Polymerase Mu Product Complex, Mn2+ (960 min) | Descriptor: | 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | Authors: | Jamsen, J.A, Wilson, S.H. | Deposit date: | 2016-11-21 | Release date: | 2017-08-30 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.977 Å) | Cite: | Time-lapse crystallography snapshots of a double-strand break repair polymerase in action. Nat Commun, 8, 2017
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5TYG
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![BU of 5tyg by Molmil](/molmil-images/mine/5tyg) | DNA Polymerase Mu Product Complex, 10 mM Mg2+ (960 min) | Descriptor: | 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | Authors: | Jamsen, J.A, Wilson, S.H. | Deposit date: | 2016-11-19 | Release date: | 2017-08-30 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.726 Å) | Cite: | Time-lapse crystallography snapshots of a double-strand break repair polymerase in action. Nat Commun, 8, 2017
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4KZ2
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![BU of 4kz2 by Molmil](/molmil-images/mine/4kz2) | Crystal Structure of phi29 pRNA 3WJ Core | Descriptor: | MANGANESE (II) ION, phi29 pRNA 3WJ core RNA 16 mer, phi29 pRNA 3WJ core RNA 18 mer, ... | Authors: | Zhang, H, Endrizzi, J.A, Shu, Y, Haque, F, Sauter, C, Guo, P, Chi, Y.-I. | Deposit date: | 2013-05-29 | Release date: | 2013-10-16 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | Crystal structure of 3WJ core revealing divalent ion-promoted thermostability and assembly of the Phi29 hexameric motor pRNA. Rna, 19, 2013
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