7GNJ
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![BU of 7gnj by Molmil](/molmil-images/mine/7gnj) | Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with EDJ-MED-976a33d5-1 (Mpro-P2724) | Descriptor: | 1-[(3'S)-6-chloro-1'-(isoquinolin-4-yl)-1,2'-dioxo-1H-spiro[isoquinoline-4,3'-pyrrolidin]-2(3H)-yl]-N-methylcyclopropane-1-carboxamide, 3C-like proteinase, CHLORIDE ION, ... | Authors: | Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F. | Deposit date: | 2023-08-11 | Release date: | 2023-11-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors. Science, 382, 2023
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3ED0
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![BU of 3ed0 by Molmil](/molmil-images/mine/3ed0) | Crystal structure of (3R)-Hydroxyacyl-Acyl Carrier Protein Dehydratase (FabZ) from Helicobacter pylori in complex with emodin | Descriptor: | (3R)-hydroxymyristoyl-acyl carrier protein dehydratase, 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE, BENZAMIDINE, ... | Authors: | Zhang, L, Zhang, H, Liu, W, Guo, Y, Shen, X, Jiang, H. | Deposit date: | 2008-09-02 | Release date: | 2009-07-21 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Emodin targets the beta-hydroxyacyl-acyl carrier protein dehydratase from Helicobacter pylori: enzymatic inhibition assay with crystal structural and thermodynamic characterization BMC MICROBIOL., 9, 2009
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4HCK
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![BU of 4hck by Molmil](/molmil-images/mine/4hck) | HUMAN HCK SH3 DOMAIN, NMR, 25 STRUCTURES | Descriptor: | HEMATOPOIETIC CELL KINASE | Authors: | Horita, D.A, Baldisseri, D.M, Zhang, W, Altieri, A.S, Smithgall, T.E, Gmeiner, W.H, Byrd, R.A. | Deposit date: | 1998-03-09 | Release date: | 1998-06-17 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Solution structure of the human Hck SH3 domain and identification of its ligand binding site. J.Mol.Biol., 278, 1998
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4GR1
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![BU of 4gr1 by Molmil](/molmil-images/mine/4gr1) | |
4HMD
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![BU of 4hmd by Molmil](/molmil-images/mine/4hmd) | Crystal structure of cold-adapted chitinase from Moritella marina with a reaction intermediate - oxazolinium ion (NGO) | Descriptor: | 2-METHYL-4,5-DIHYDRO-(1,2-DIDEOXY-ALPHA-D-GLUCOPYRANOSO)[2,1-D]-1,3-OXAZOLE, 2-acetamido-2-deoxy-beta-D-glucopyranose, Chitinase 60, ... | Authors: | Malecki, P.H, Vorgias, C.E, Raczynska, J.E, Rypniewski, W. | Deposit date: | 2012-10-18 | Release date: | 2013-05-01 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Structure of a complete four-domain chitinase from Moritella marina, a marine psychrophilic bacterium Acta Crystallogr.,Sect.D, 69, 2013
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4HK4
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![BU of 4hk4 by Molmil](/molmil-images/mine/4hk4) | Crystal structure of apo Tyrosine-tRNA ligase mutant protein | Descriptor: | DI(HYDROXYETHYL)ETHER, Tyrosine--tRNA ligase | Authors: | Yu, Y, Zhou, Q, Dong, J, Li, J, Xiaoxuan, L, Mukherjee, A, Ouyang, H, Nilges, M, Li, H, Gao, F, Gong, W, Lu, Y, Wang, J. | Deposit date: | 2012-10-15 | Release date: | 2013-04-17 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.298 Å) | Cite: | Crystal structure of apo Tyrosine-tRNA ligase mutant protein To be Published
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4HMS
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![BU of 4hms by Molmil](/molmil-images/mine/4hms) | Crystal structure of PhzG from Pseudomonas fluorescens 2-79 in complex with a second FMN in the substrate binding site | Descriptor: | FLAVIN MONONUCLEOTIDE, Phenazine biosynthesis protein phzG, SULFATE ION | Authors: | Xu, N.N, Ahuja, E.G, Blankenfeldt, W. | Deposit date: | 2012-10-18 | Release date: | 2013-08-07 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.33 Å) | Cite: | Trapped intermediates in crystals of the FMN-dependent oxidase PhzG provide insight into the final steps of phenazine biosynthesis Acta Crystallogr.,Sect.D, 69, 2013
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4HP3
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![BU of 4hp3 by Molmil](/molmil-images/mine/4hp3) | Crystal structure of Tet3 in complex with a CpG dsDNA | Descriptor: | DNA (5'-D(*GP*CP*CP*AP*AP*CP*GP*TP*TP*GP*GP*C)-3'), LOC100036628 protein, UNKNOWN ATOM OR ION, ... | Authors: | Chao, X, Tempel, W, Bian, C, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2012-10-23 | Release date: | 2012-12-05 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Tet3 CXXC Domain and Dioxygenase Activity Cooperatively Regulate Key Genes for Xenopus Eye and Neural Development. Cell(Cambridge,Mass.), 151, 2012
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4HME
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![BU of 4hme by Molmil](/molmil-images/mine/4hme) | Crystal structure of cold-adapted chitinase from Moritella marina with a reaction product - NAG2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Chitinase 60, GLYCEROL, ... | Authors: | Malecki, P.H, Vorgias, C.E, Raczynska, J.E, Rypniewski, W. | Deposit date: | 2012-10-18 | Release date: | 2013-05-01 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Structure of a complete four-domain chitinase from Moritella marina, a marine psychrophilic bacterium Acta Crystallogr.,Sect.D, 69, 2013
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3QGJ
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![BU of 3qgj by Molmil](/molmil-images/mine/3qgj) | 1.3A Structure of alpha-Lytic Protease Bound to Ac-AlaAlaPro-Alanal | Descriptor: | 1,2-ETHANEDIOL, Ac-AlaAlaPro-Alanal peptide, Alpha-lytic protease, ... | Authors: | Everill, P, Meinke, G, Bohm, A, Bachovchin, W. | Deposit date: | 2011-01-24 | Release date: | 2012-02-01 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Substrate Binding Defines Ser195 Position in the Catalytic Triad of Serine Proteases, Not His57 protonation To be Published
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4HIC
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3Q5J
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![BU of 3q5j by Molmil](/molmil-images/mine/3q5j) | Crystal structure of the amino-terminal domain of HSP90 from Leishmania major, LMJF33.0312:M1-K213 in the presence of 17-DMAP-geldanamycin | Descriptor: | (4E,6Z,8S,9S,10E,12S,13R,14S,16R)-19-{[3-(dimethylamino)propyl]amino}-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl carbamate, Heat shock protein 83-1 | Authors: | Wernimont, A.K, Tempel, W, Lin, Y.H, Hutchinson, A, MacKenzie, F, Fairlamb, A, Cossar, D, Zhao, Y, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Ferguson, M.A.J, Hui, R, Pizarro, J.C, Hills, T, Structural Genomics Consortium (SGC) | Deposit date: | 2010-12-28 | Release date: | 2011-02-23 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of the amino-terminal domain of HSP90 from Leishmania major, LMJF33.0312:M1-K213 in the presence of 17-DMAP-geldanamycin. To be Published
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3Q7J
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![BU of 3q7j by Molmil](/molmil-images/mine/3q7j) | Engineered Thermoplasma Acidophilum F3 factor mimics human aminopeptidase N (APN) as a target for anticancer drug development | Descriptor: | L-phenylalanyl-N6-[(benzyloxy)carbonyl]-N1-hydroxy-L-lysinamide, Tricorn protease-interacting factor F3, ZINC ION | Authors: | Su, J, Wang, Q, Feng, J, Zhang, C, Zhu, D, We, T, Xu, W, Gu, L. | Deposit date: | 2011-01-05 | Release date: | 2011-07-27 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.91 Å) | Cite: | Engineered Thermoplasma acidophilum factor F3 mimics human aminopeptidase N (APN) as a target for anticancer drug development Bioorg.Med.Chem., 19, 2011
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4HMP
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![BU of 4hmp by Molmil](/molmil-images/mine/4hmp) | Crystal structure of iron uptake ABC transporter substrate-binding protein PiaA from Streptococcus pneumoniae TIGR4 | Descriptor: | 1,2-ETHANEDIOL, CADMIUM ION, GLYCEROL, ... | Authors: | Cheng, W, Li, Q, Jiang, Y.-L, Chen, Y, Zhou, C.-Z. | Deposit date: | 2012-10-18 | Release date: | 2013-09-04 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structures of Streptococcus pneumoniae PiaA and Its Complex with Ferrichrome Reveal Insights into the Substrate Binding and Release of High Affinity Iron Transporters Plos One, 8, 2013
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3QTD
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![BU of 3qtd by Molmil](/molmil-images/mine/3qtd) | Crystal structure of putative modulator of gyrase (PmbA) from Pseudomonas aeruginosa PAO1 | Descriptor: | GLYCEROL, PmbA protein | Authors: | Tkaczuk, K.L, Chruszcz, M, Evdokimova, E, Liu, F, Savchenko, A, Edwards, A, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2011-02-22 | Release date: | 2011-03-30 | Last modified: | 2022-04-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal structure of putative modulator of gyrase (PmbA) from Pseudomonas aeruginosa PAO1 To be Published
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3RSG
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![BU of 3rsg by Molmil](/molmil-images/mine/3rsg) | Crystal structure of tm0922, a fusion of a domain of unknown function and ADP/ATP-dependent NAD(P)H-hydrate dehydratase from Thermotoga maritima soaked with NAD. | Descriptor: | ADENOSINE-5-DIPHOSPHORIBOSE, MAGNESIUM ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | Authors: | Shumilin, I.A, Cymborowski, M, Lesley, S.A, Minor, W. | Deposit date: | 2011-05-02 | Release date: | 2011-07-27 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Identification of unknown protein function using metabolite cocktail screening. Structure, 20, 2012
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3RT9
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![BU of 3rt9 by Molmil](/molmil-images/mine/3rt9) | Crystal structure of tm0922, a fusion of a domain of unknown function and ADP/ATP-dependent NAD(P)H-hydrate dehydratase from Thermotoga maritima soaked with Coenzyme A | Descriptor: | COENZYME A, POTASSIUM ION, Putative uncharacterized protein, ... | Authors: | Shumilin, I.A, Cymborowski, M, Lesley, S.A, Minor, W. | Deposit date: | 2011-05-03 | Release date: | 2011-06-22 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.952 Å) | Cite: | Identification of unknown protein function using metabolite cocktail screening. Structure, 20, 2012
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4HMV
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![BU of 4hmv by Molmil](/molmil-images/mine/4hmv) | Crystal structure of PhzG from Pseudomonas fluorescens 2-79 in complex with tetrahydrophenazine-1-carboxylic acid after 5 days of soaking | Descriptor: | (1R,10aS)-1,2,10,10a-tetrahydrophenazine-1-carboxylic acid, FLAVIN MONONUCLEOTIDE, Phenazine biosynthesis protein phzG, ... | Authors: | Xu, N.N, Ahuja, E.G, Blankenfeldt, W. | Deposit date: | 2012-10-18 | Release date: | 2013-08-07 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Trapped intermediates in crystals of the FMN-dependent oxidase PhzG provide insight into the final steps of phenazine biosynthesis Acta Crystallogr.,Sect.D, 69, 2013
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3R0I
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![BU of 3r0i by Molmil](/molmil-images/mine/3r0i) | IspC in complex with an N-methyl-substituted hydroxamic acid | Descriptor: | 1-deoxy-D-xylulose 5-phosphate reductoisomerase, MANGANESE (II) ION, {(1S)-1-(3,4-difluorophenyl)-4-[hydroxy(methyl)amino]-4-oxobutyl}phosphonic acid | Authors: | Behrendt, C.T, Kunfermann, A, Illarionova, V, Matheeussen, A, Pein, M.K, Graewert, T, Bacher, A, Eisenreich, W, Illarionov, B, Fischer, M, Maes, L, Groll, M, Kurz, T. | Deposit date: | 2011-03-08 | Release date: | 2011-09-07 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Reverse Fosmidomycin Derivatives against the Antimalarial Drug Target IspC (Dxr). J.Med.Chem., 54, 2011
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4HMO
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![BU of 4hmo by Molmil](/molmil-images/mine/4hmo) | Crystal structure of streptococcus pneumoniae TIGR4 PiaA in complex with Bis-tris propane | Descriptor: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, Iron-compound ABC transporter, ... | Authors: | Cheng, W, Li, Q, Jiang, Y.-L, Chen, Y, Zhou, C.-Z. | Deposit date: | 2012-10-18 | Release date: | 2013-09-04 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structures of Streptococcus pneumoniae PiaA and Its Complex with Ferrichrome Reveal Insights into the Substrate Binding and Release of High Affinity Iron Transporters Plos One, 8, 2013
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4HMW
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![BU of 4hmw by Molmil](/molmil-images/mine/4hmw) | Crystal structure of PhzG from Burkholderia lata 383 | Descriptor: | FLAVIN MONONUCLEOTIDE, Pyridoxamine 5'-phosphate oxidase | Authors: | Xu, N.N, Ahuja, E.G, Blankenfeldt, W. | Deposit date: | 2012-10-18 | Release date: | 2013-08-07 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Trapped intermediates in crystals of the FMN-dependent oxidase PhzG provide insight into the final steps of phenazine biosynthesis Acta Crystallogr.,Sect.D, 69, 2013
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3REA
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![BU of 3rea by Molmil](/molmil-images/mine/3rea) | |
3R27
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![BU of 3r27 by Molmil](/molmil-images/mine/3r27) | Crystal structure of the first RRM domain of heterogeneous nuclear ribonucleoprotein L (HnRNP L) | Descriptor: | GLYCEROL, Heterogeneous nuclear ribonucleoprotein L | Authors: | Zhang, W, Liu, Y, Zeng, F, Niu, L, Teng, M, Li, X. | Deposit date: | 2011-03-14 | Release date: | 2011-09-14 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Crystal structure of the first RRM domain of heterogeneous nuclear ribonucleoprotein L (HnRNP L) To be Published
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4HTL
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![BU of 4htl by Molmil](/molmil-images/mine/4htl) | Lmo2764 protein, a putative N-acetylmannosamine kinase, from Listeria monocytogenes | Descriptor: | 1,2-ETHANEDIOL, Beta-glucoside kinase | Authors: | Osipiuk, J, Mack, J, Endres, M, Salazar, J, Zhang, W, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2012-11-01 | Release date: | 2012-11-14 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Lmo2764 protein, a putative N-acetylmannosamine kinase, from Listeria monocytogenes. To be Published
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3ROX
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![BU of 3rox by Molmil](/molmil-images/mine/3rox) | Crystal Structure of Mouse Apolipoprotein A-I Binding Protein in Complex with Theophylline | Descriptor: | Apolipoprotein A-I-binding protein, SULFATE ION, THEOPHYLLINE | Authors: | Shumilin, I.A, Jha, K.N, Cymborowski, M, Herr, J.C, Minor, W. | Deposit date: | 2011-04-26 | Release date: | 2012-07-18 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Identification of unknown protein function using metabolite cocktail screening. Structure, 20, 2012
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