5YHZ
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![BU of 5yhz by Molmil](/molmil-images/mine/5yhz) | Structure of Lactococcus lactis ZitR, E41A mutant | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, ZINC ION, ... | Authors: | Song, Y, Liu, H, Zhu, R, Yi, C, Chen, P. | Deposit date: | 2017-10-01 | Release date: | 2017-12-06 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Allosteric histidine switch for regulation of intracellular zinc(II) fluctuation. Proc.Natl.Acad.Sci.USA, 114, 2017
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6H6P
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![BU of 6h6p by Molmil](/molmil-images/mine/6h6p) | UbiJ-SCP2 Ubiquinone synthesis protein | Descriptor: | CALCIUM ION, PENTAETHYLENE GLYCOL, Ubiquinone biosynthesis protein UbiJ | Authors: | Fyfe, C.D, Legrand, P, Pecqueur, L, Ciccone, L, Lombard, M, Fontecave, M. | Deposit date: | 2018-07-28 | Release date: | 2019-02-13 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | A Soluble Metabolon Synthesizes the Isoprenoid Lipid Ubiquinone. Cell Chem Biol, 26, 2019
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3VHN
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![BU of 3vhn by Molmil](/molmil-images/mine/3vhn) | Y61G mutant of Cellulase 12A from thermotoga maritima | Descriptor: | Endo-1,4-beta-glucanase, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose | Authors: | Cheng, Y.-S, Ko, T.-P, Guo, R.-T, Liu, J.-R. | Deposit date: | 2011-08-30 | Release date: | 2012-07-11 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Enhanced activity of Thermotoga maritima cellulase 12A by mutating a unique surface loop Appl.Microbiol.Biotechnol., 95, 2012
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3F07
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![BU of 3f07 by Molmil](/molmil-images/mine/3f07) | Crystal Structure Analysis of Human HDAC8 complexed with APHA in a new monoclinic crystal form | Descriptor: | (2E)-N-hydroxy-3-[1-methyl-4-(phenylacetyl)-1H-pyrrol-2-yl]prop-2-enamide, Histone deacetylase 8, POTASSIUM ION, ... | Authors: | Dowling, D.P, Gantt, S.L, Gattis, S.G, Fierke, C.A, Christianson, D.W. | Deposit date: | 2008-10-24 | Release date: | 2008-12-30 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Structural studies of human histone deacetylase 8 and its site-specific variants complexed with substrate and inhibitors. Biochemistry, 47, 2008
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5EGK
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6ADX
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![BU of 6adx by Molmil](/molmil-images/mine/6adx) | Crystal structure of the Zika virus NS3 helicase (ADP-Mn2+ complex, form 1) | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MANGANESE (II) ION, Serine protease NS3 | Authors: | Fang, J, Lu, G, Gong, P. | Deposit date: | 2018-08-02 | Release date: | 2019-03-13 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.752 Å) | Cite: | Crystallographic Snapshots of the Zika Virus NS3 Helicase Help Visualize the Reactant Water Replenishment. ACS Infect Dis, 5, 2019
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6EOY
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![BU of 6eoy by Molmil](/molmil-images/mine/6eoy) | Transthyretin in complex with 4-(1,3-Benzothiazol-2-yl)-2-methylaniline | Descriptor: | 4-(1,3-benzothiazol-2-yl)-2-methyl-aniline, Transthyretin | Authors: | Leite, J.P, Gales, L. | Deposit date: | 2017-10-10 | Release date: | 2021-10-06 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | Targeting transthyretin in Alzheimer's disease: Drug discovery of small-molecule chaperones as disease-modifying drug candidates for Alzheimer's disease. Eur.J.Med.Chem., 226, 2021
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6GIX
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![BU of 6gix by Molmil](/molmil-images/mine/6gix) | Water-soluble Chlorophyll Protein (WSCP) from Lepidium virginicum (Mutation L91P) with Chlorophyll-b | Descriptor: | CHLOROPHYLL B, Water-soluble chlorophyll protein | Authors: | Palm, D.M, Agostini, A, Averesch, V, Girr, P, Werwie, M, Takahashi, S, Satoh, H, Jaenicke, E, Paulsen, H. | Deposit date: | 2018-05-15 | Release date: | 2018-10-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Chlorophyll a/b binding-specificity in water-soluble chlorophyll protein. Nat Plants, 4, 2018
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6AFO
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1F0T
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![BU of 1f0t by Molmil](/molmil-images/mine/1f0t) | BOVINE TRYPSIN COMPLEXED WITH RPR131247 | Descriptor: | 4-HYDROXY-3-[2-OXO-3-(THIENO[3,2-B]PYRIDINE-2-SULFONYLAMINO)-PYRROLIDIN-1-YLMETHYL]-BENZAMIDINE, CALCIUM ION, SULFATE ION, ... | Authors: | Maignan, S, Guilloteau, J.P, Pouzieux, S, Choi-Sledeski, Y.M, Becker, M.R, Klein, S.I, Ewing, W.R, Pauls, H.W, Spada, A.P, Mikol, V. | Deposit date: | 2000-05-17 | Release date: | 2000-09-20 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structures of human factor Xa complexed with potent inhibitors. J.Med.Chem., 43, 2000
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5YN8
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![BU of 5yn8 by Molmil](/molmil-images/mine/5yn8) | Crystal structure of MERS-CoV nsp16/nsp10 complex bound to SAH | Descriptor: | S-ADENOSYL-L-HOMOCYSTEINE, ZINC ION, nsp10 protein, ... | Authors: | Wei, S.M, Yang, L, Ke, Z.H, Chen, Y, Guo, D.Y, Fan, C.P. | Deposit date: | 2017-10-24 | Release date: | 2018-12-05 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Structural insights into the molecular mechanism of MERS Coronavirus RNA ribose 2'-O-methylation by nsp16/nsp10 protein complex To Be Published
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6GN0
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![BU of 6gn0 by Molmil](/molmil-images/mine/6gn0) | Exoenzyme S from Pseudomonas aeruginosa in complex with human 14-3-3 protein beta, tetrameric crystal form | Descriptor: | 14-3-3 protein beta/alpha, Exoenzyme S | Authors: | Karlberg, T, Pinto, A.F, Hornyak, P, Nareoja, K, Schuler, H. | Deposit date: | 2018-05-29 | Release date: | 2018-09-26 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.24 Å) | Cite: | 14-3-3 proteins activate Pseudomonas exotoxins-S and -T by chaperoning a hydrophobic surface. Nat Commun, 9, 2018
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6GNN
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![BU of 6gnn by Molmil](/molmil-images/mine/6gnn) | Exoenzyme T from Pseudomonas aeruginosa in complex with human 14-3-3 protein beta, tetrameric crystal form bound to STO1101 | Descriptor: | 14-3-3 protein beta/alpha, 3-(12-oxidanylidene-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9-trien-10-yl)propanoic acid, Exoenzyme T | Authors: | Karlberg, T, Pinto, A.F, Hornyak, P, Thorsell, A.G, Nareoja, K, Schuler, H. | Deposit date: | 2018-05-31 | Release date: | 2018-09-26 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.79 Å) | Cite: | 14-3-3 proteins activate Pseudomonas exotoxins-S and -T by chaperoning a hydrophobic surface. Nat Commun, 9, 2018
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5YNO
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![BU of 5yno by Molmil](/molmil-images/mine/5yno) | Crystal structure of MERS-CoV nsp16/nsp10 complex bound to SAH and m7GpppA | Descriptor: | P1-7-METHYLGUANOSINE-P3-ADENOSINE-5',5'-TRIPHOSPHATE, S-ADENOSYL-L-HOMOCYSTEINE, ZINC ION, ... | Authors: | Wei, S.M, Yang, L, Ke, Z.H, Guo, D.Y, Fan, C.P. | Deposit date: | 2017-10-24 | Release date: | 2018-12-05 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Structural insights into the molecular mechanism of MERS Coronavirus RNA ribose 2'-O-methylation by nsp16/nsp10 protein complex To Be Published
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6GNT
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![BU of 6gnt by Molmil](/molmil-images/mine/6gnt) | Crystal Structure of Leishmania major N-Myristoyltransferase (NMT) With Bound Myristoyl-CoA and a Quionlinyl aryl sulphonamide ligand | Descriptor: | 4-[4-(1-methylpiperidin-4-yl)butyl]-~{N}-(6-pyrrolidin-1-ylquinolin-5-yl)benzenesulfonamide, GLYCEROL, Glycylpeptide N-tetradecanoyltransferase, ... | Authors: | Robinson, D.A, Harrison, J.R, Brand, S, Smith, V.C, Thompson, S, Smith, A, Davies, K, Mok, N.Y, Torrie, L.S, Collie, I, Hallyburton, I, Norval, S, Simeons, F.R.C, Stojanovski, L, Frearson, J.A, Brenk, R, Wyatt, P.G, Gilbert, I.H, Read, K.D. | Deposit date: | 2018-05-31 | Release date: | 2018-09-26 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | A Molecular Hybridization Approach for the Design of Potent, Highly Selective, and Brain-Penetrant N-Myristoyltransferase Inhibitors. J. Med. Chem., 61, 2018
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1K2F
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![BU of 1k2f by Molmil](/molmil-images/mine/1k2f) | siah, Seven In Absentia Homolog | Descriptor: | BETA-MERCAPTOETHANOL, ZINC ION, siah-1A protein | Authors: | Polekhina, G, House, C.M, Traficante, N, Mackay, J.P, Relaix, F, Sassoon, D.A, Parker, M.W, Bowtell, D.D.L. | Deposit date: | 2001-09-26 | Release date: | 2001-12-28 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Siah ubiquitin ligase is structurally related to TRAF and modulates TNF-alpha signaling. Nat.Struct.Biol., 9, 2002
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5EPM
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5ENN
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![BU of 5enn by Molmil](/molmil-images/mine/5enn) | The crystal structure of Human VPS34 in complex with a selective and potent inhibitor | Descriptor: | 1-[[4-(cyclopropylmethyl)-5-[2-(pyridin-4-ylamino)pyrimidin-4-yl]pyrimidin-2-yl]amino]-2-methyl-propan-2-ol, GLYCEROL, Phosphatidylinositol 3-kinase catalytic subunit type 3, ... | Authors: | Kearney, E.P. | Deposit date: | 2015-11-09 | Release date: | 2016-11-16 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Potent, selective, and orally bioavailable inhibitors of VPS34 provide chemical tools to modulate autophagy in vivo To Be Published
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6AK7
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![BU of 6ak7 by Molmil](/molmil-images/mine/6ak7) | Crystal structure of PPM1K-N94K | Descriptor: | BETA-MERCAPTOETHANOL, MAGNESIUM ION, Protein phosphatase 1K, ... | Authors: | Meisam, R.D, Guo, L.L, Xiao, P. | Deposit date: | 2018-08-30 | Release date: | 2019-09-11 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.605 Å) | Cite: | Structure of PPM1K-N94K mutant at 2.61 Angstroms resolution To Be Published
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6ETE
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![BU of 6ete by Molmil](/molmil-images/mine/6ete) | Crystal structure of KDM4D with tetrazolhydrazide compound 5 | Descriptor: | 1,2-ETHANEDIOL, Lysine-specific demethylase 4D, NICKEL (II) ION, ... | Authors: | Malecki, P.H, Weiss, M.S, Heinemann, U, Link, A. | Deposit date: | 2017-10-26 | Release date: | 2019-02-20 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.468 Å) | Cite: | Crystal structure of KDM4D with tetrazolylhydrazide ligand NR128 To be published
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2TEC
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![BU of 2tec by Molmil](/molmil-images/mine/2tec) | MOLECULAR DYNAMICS REFINEMENT OF A THERMITASE-EGLIN-C COMPLEX AT 1.98 ANGSTROMS RESOLUTION AND COMPARISON OF TWO CRYSTAL FORMS THAT DIFFER IN CALCIUM CONTENT | Descriptor: | CALCIUM ION, EGLIN C, THERMITASE | Authors: | Gros, P, Betzel, C, Dauter, Z, Wilson, K.S, Hol, W.G.J. | Deposit date: | 1990-10-26 | Release date: | 1992-01-15 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Molecular dynamics refinement of a thermitase-eglin-c complex at 1.98 A resolution and comparison of two crystal forms that differ in calcium content. J.Mol.Biol., 210, 1989
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5EP1
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![BU of 5ep1 by Molmil](/molmil-images/mine/5ep1) | Quorum-Sensing Signal Integrator LuxO - Catalytic Domain | Descriptor: | ACETATE ION, Putative repressor protein luxO | Authors: | Shah, T, Selcuk, H.B, Jeffrey, P.D, Hughson, F.M. | Deposit date: | 2015-11-11 | Release date: | 2016-04-20 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structure, Regulation, and Inhibition of the Quorum-Sensing Signal Integrator LuxO. Plos Biol., 14, 2016
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6EU4
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1F4K
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![BU of 1f4k by Molmil](/molmil-images/mine/1f4k) | CRYSTAL STRUCTURE OF THE REPLICATION TERMINATOR PROTEIN/B-SITE DNA COMPLEX | Descriptor: | 5'-D(*CP*TP*AP*TP*GP*AP*AP*CP*AP*TP*AP*AP*TP*GP*TP*TP*CP*AP*TP*AP*G)-3', 5'-D(*CP*TP*AP*TP*GP*AP*AP*CP*AP*TP*TP*AP*TP*GP*TP*TP*CP*AP*TP*AP*G)-3', REPLICATION TERMINATION PROTEIN | Authors: | Wilce, J.A, Vivian, J.P, Hastings, A.F, Otting, G, Folmer, R.H.A, Duggin, I.G, Wake, R.G, Wilce, M.C.J. | Deposit date: | 2000-06-08 | Release date: | 2001-06-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure of the RTP-DNA complex and the mechanism of polar replication fork arrest Nat.Struct.Biol., 8, 2001
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1JKH
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![BU of 1jkh by Molmil](/molmil-images/mine/1jkh) | CRYSTAL STRUCTURE OF Y181C MUTANT HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH DMP-266(EFAVIRENZ) | Descriptor: | (-)-6-CHLORO-4-CYCLOPROPYLETHYNYL-4-TRIFLUOROMETHYL-1,4-DIHYDRO-2H-3,1-BENZOXAZIN-2-ONE, HIV-1 RT, A-CHAIN, ... | Authors: | Ren, J, Nichols, C, Bird, L, Chamberlain, P, Weaver, K, Short, S, Stuart, D.I, Stammers, D.K. | Deposit date: | 2001-07-12 | Release date: | 2001-10-03 | Last modified: | 2022-12-21 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural mechanisms of drug resistance for mutations at codons 181 and 188 in HIV-1 reverse transcriptase and the improved resilience of second generation non-nucleoside inhibitors. J.Mol.Biol., 312, 2001
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