8DE5
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![BU of 8de5 by Molmil](/molmil-images/mine/8de5) | Structure of glyceraldehyde-3-phosphate dehydrogenase from Paracoccidioides lutzii | Descriptor: | D-galactonic acid, GLYCEROL, Glyceraldehyde-3-phosphate dehydrogenase, ... | Authors: | Hernandez-Prieto, J.H, Martini, V.P, Iulek, J. | Deposit date: | 2022-06-19 | Release date: | 2023-06-21 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Structure of glyceraldehyde-3-phosphate dehydrogenase from Paracoccidioides lutzii in complex with an aldonic sugar acid. Biochimie, 218, 2023
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4R0N
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![BU of 4r0n by Molmil](/molmil-images/mine/4r0n) | Hexagonal form of phosphopantetheine adenylyltransferase from Mycobacterium tuberculosis | Descriptor: | Phosphopantetheine adenylyltransferase, SULFATE ION | Authors: | Timofeev, V.I, Smirnova, E.A, Chupova, L.A, Esipov, R.S, Kuranova, I.P. | Deposit date: | 2014-08-01 | Release date: | 2014-08-13 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Hexagonal form of phosphopantetheine adenylyltransferase from Mycobacterium tuberculosis TO BE PUBLISHED
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6H94
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![BU of 6h94 by Molmil](/molmil-images/mine/6h94) | T16A variant of beta-phosphoglucomutase from Lactococcus lactis with phosphate and TRIS bound in an open conformer to 1.5 A. | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta-phosphoglucomutase, ... | Authors: | Robertson, A.J, Bisson, C, Waltho, J.P. | Deposit date: | 2018-08-03 | Release date: | 2020-08-26 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Transition state of phospho-enzyme hydrolysis in beta-phosphoglucomutase. To Be Published
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4IBC
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![BU of 4ibc by Molmil](/molmil-images/mine/4ibc) | Ebola virus VP35 bound to small molecule | Descriptor: | DIMETHYL SULFOXIDE, Polymerase cofactor VP35, {4-[(2R)-3-(2-chlorobenzoyl)-2-(2-chlorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]phenyl}acetic acid | Authors: | Brown, C.S, Leung, D.W, Xu, W, Borek, D.M, Otwinowski, Z, Ramanan, P, Stubbs, A.J, Peterson, D.S, Binning, J.M, Amarasinghe, G.K. | Deposit date: | 2012-12-08 | Release date: | 2014-03-19 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.745 Å) | Cite: | In Silico Derived Small Molecules Bind the Filovirus VP35 Protein and Inhibit Its Polymerase Cofactor Activity. J.Mol.Biol., 426, 2014
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4R33
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![BU of 4r33 by Molmil](/molmil-images/mine/4r33) | X-ray structure of the tryptophan lyase NosL with Tryptophan and S-adenosyl-L-homocysteine bound | Descriptor: | CHLORIDE ION, GLYCEROL, IRON/SULFUR CLUSTER, ... | Authors: | Nicolet, Y, Zeppieri, L, Amara, P, Fontecilla-Camps, J.-C. | Deposit date: | 2014-08-14 | Release date: | 2014-09-17 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Crystal Structure of Tryptophan Lyase (NosL): Evidence for Radical Formation at the Amino Group of Tryptophan. Angew.Chem.Int.Ed.Engl., 53, 2014
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6HDM
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![BU of 6hdm by Molmil](/molmil-images/mine/6hdm) | R49A variant of beta-phosphoglucomutase from Lactococcus lactis complexed with magnesium trifluoride and beta-G6P to 1.3 A. | Descriptor: | 1,2-ETHANEDIOL, 1,3-PROPANDIOL, 6-O-phosphono-beta-D-glucopyranose, ... | Authors: | Robertson, A.J, Bisson, C, Waltho, J.P. | Deposit date: | 2018-08-17 | Release date: | 2020-08-26 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Transition state of phospho-enzyme hydrolysis in beta-phosphoglucomutase. To Be Published
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6MP5
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6VAU
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![BU of 6vau by Molmil](/molmil-images/mine/6vau) | Bare actin filament from a partially cofilin-decorated sample | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ... | Authors: | Huehn, A.R, Bibeau, J.P, Schramm, A.C, Cao, W, De La Cruz, E.M, Sindelar, C.V. | Deposit date: | 2019-12-17 | Release date: | 2020-01-01 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Structures of cofilin-induced structural changes reveal local and asymmetric perturbations of actin filaments. Proc.Natl.Acad.Sci.USA, 117, 2020
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1E93
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![BU of 1e93 by Molmil](/molmil-images/mine/1e93) | High resolution structure and biochemical properties of a recombinant catalase depleted in iron | Descriptor: | ACETATE ION, CATALASE, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Andreoletti, P, Sainz, G, Jaquinod, M, Gagnon, J, Jouve, H.M. | Deposit date: | 2000-10-05 | Release date: | 2000-10-13 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | High-Resolution Structure and Biochemical Properties of a Recombinant Proteus Mirabilis Catalase Depleted in Iron. Proteins: Struct.,Funct., Genet., 50, 2003
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4BD8
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![BU of 4bd8 by Molmil](/molmil-images/mine/4bd8) | Bax domain swapped dimer induced by BimBH3 with CHAPS | Descriptor: | 1,2-ETHANEDIOL, APOPTOSIS REGULATOR BAX, PRASEODYMIUM ION | Authors: | Czabotar, P.E, Westphal, D, Adams, J.M, Colman, P.M. | Deposit date: | 2012-10-05 | Release date: | 2013-02-13 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Bax Crystal Structures Reveal How Bh3 Domains Activate Bax and Nucleate its Oligomerization to Induce Apoptosis. Cell(Cambridge,Mass.), 152, 2013
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2XBA
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![BU of 2xba by Molmil](/molmil-images/mine/2xba) | Structure of Human Anaplastic Lymphoma Kinase in complex with PHA- E429 | Descriptor: | 5-[(2R)-2-hydroxy-2-phenylacetyl]-3-({[4-(4-methylpiperazin-1-yl)phenyl]carbonyl}amino)-1,6-dihydropyrrolo[3,4-c]pyrazol-5-ium, ALK TYROSINE KINASE RECEPTOR | Authors: | Bossi, R.T, Saccardo, M.B, Ardini, E, Menichincheri, M, Rusconi, L, Magnaghi, P, Orsini, P, Fogliatto, G, Bertrand, J.A. | Deposit date: | 2010-04-08 | Release date: | 2010-07-28 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Crystal Structures of Anaplastic Lymphoma Kinase in Complex with ATP Competitive Inhibitors. Biochemistry, 49, 2010
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6MH6
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![BU of 6mh6 by Molmil](/molmil-images/mine/6mh6) | High-viscosity injector-based Pink Beam Serial Crystallography of Micro-crystals at a Synchrotron Radiation Source. | Descriptor: | CALCIUM ION, NITRATE ION, Proteinase K | Authors: | Martin-Garcia, J.M, Zhu, L, Mendez, D, Lee, M, Chun, E, Li, C, Hu, H, Subramanian, G, Kissick, D, Ogata, C, Henning, R, Ishchenko, A, Dobson, Z, Zhan, S, Weierstall, U, Spence, J.C.H, Fromme, P, Zatsepin, N.A, Fischetti, R.F, Cherezov, V, Liu, W. | Deposit date: | 2018-09-17 | Release date: | 2019-04-24 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | High-viscosity injector-based pink-beam serial crystallography of microcrystals at a synchrotron radiation source. Iucrj, 6, 2019
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8T9Z
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![BU of 8t9z by Molmil](/molmil-images/mine/8t9z) | Structural of M8C10 Fab in complex human metapneumovirus fusion protein | Descriptor: | Fusion glycoprotein F0, M8C10 Fab Heavy Chain, M8C10 Fab Light Chain | Authors: | Su, H.P, Eddins, M.J, Shipman, J.M, Kostas, J, Reid, J.C. | Deposit date: | 2023-06-26 | Release date: | 2023-11-22 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.995 Å) | Cite: | Structural characterization of M8C10, a neutralizing antibody targeting a highly conserved prefusion-specific epitope on the metapneumovirus fusion trimerization interface. J.Virol., 97, 2023
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2XSL
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![BU of 2xsl by Molmil](/molmil-images/mine/2xsl) | The crystal structure of a Thermus thermophilus tRNAGly acceptor stem microhelix at 1.6 Angstroem resolution | Descriptor: | 5'-R(*CP*UP*CP*CP*CP*GP*C)-3', 5'-R(*GP*CP*GP*GP*GP*AP*G)-3' | Authors: | Oberthuer, D, Eichert, A, Erdmann, V.A, Fuerste, J.P, Betzel, C, Foerster, C. | Deposit date: | 2010-10-29 | Release date: | 2011-08-10 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | The Crystal Structure of a Thermus Thermophilus tRNA(Gly) Acceptor Stem Microhelix at 1.6 A Resolution. Biochem.Biophys.Res.Commun., 404, 2011
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6VH1
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![BU of 6vh1 by Molmil](/molmil-images/mine/6vh1) | 2.30 A resolution structure of MERS 3CL protease in complex with inhibitor 6h | Descriptor: | N~2~-{[(4,4-difluorocyclohexyl)oxy]carbonyl}-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide, Orf1a protein | Authors: | Lovell, S, Battaile, K.P, Kashipathy, M.M, Rathnayake, A.D, Zheng, J, Kim, Y, Nguyen, H.N, Chang, K.O, Groutas, W.C. | Deposit date: | 2020-01-09 | Release date: | 2020-08-12 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | 3C-like protease inhibitors block coronavirus replication in vitro and improve survival in MERS-CoV-infected mice. Sci Transl Med, 12, 2020
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6F8E
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![BU of 6f8e by Molmil](/molmil-images/mine/6f8e) | PH domain from TgAPH | Descriptor: | Pleckstrin homology domain | Authors: | Darvill, N, Liu, B, Matthews, S, Soldati-Favre, D, Rouse, S, Benjamin, S, Blake, T, Dubois, D.J, Hammoudi, P.M, Pino, P. | Deposit date: | 2017-12-13 | Release date: | 2019-01-30 | Last modified: | 2024-06-19 | Method: | SOLUTION NMR | Cite: | Structural Basis of Phosphatidic Acid Sensing by APH in Apicomplexan Parasites. Structure, 26, 2018
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6BC1
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7W9G
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![BU of 7w9g by Molmil](/molmil-images/mine/7w9g) | Complex structure of Mpro with ebselen-derivative inhibitor | Descriptor: | 3C-like proteinase nsp5, SELENIUM ATOM | Authors: | Sahoo, P, Kumar, A. | Deposit date: | 2021-12-09 | Release date: | 2022-12-14 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Detailed Insights into the Inhibitory Mechanism of New Ebselen Derivatives against Main Protease (M pro ) of Severe Acute Respiratory Syndrome Coronavirus-2 (SARS-CoV-2). Acs Pharmacol Transl Sci, 6, 2023
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6FGR
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![BU of 6fgr by Molmil](/molmil-images/mine/6fgr) | |
6HDK
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8CHM
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![BU of 8chm by Molmil](/molmil-images/mine/8chm) | Human FKBP12 in complex with (1S,5S,6R)-10-((S)-(3,5-dichlorophenyl)sulfinyl)-3-(pyridin-2-ylmethyl)-5-vinyl-3,10-diazabicyclo[4.3.1]decan-2-one | Descriptor: | (1~{S},5~{S},6~{R})-10-[3,5-bis(chloranyl)phenyl]sulfinyl-5-ethenyl-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one, CADMIUM ION, CHLORIDE ION, ... | Authors: | Meyners, C, Purder, P.L, Hausch, F. | Deposit date: | 2023-02-08 | Release date: | 2023-09-06 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.12 Å) | Cite: | Deconstructing Protein Binding of Sulfonamides and Sulfonamide Analogues. Jacs Au, 3, 2023
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8CHJ
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![BU of 8chj by Molmil](/molmil-images/mine/8chj) | Human FKBP12 in complex with (1S,5S,6R)-10-((R)-(3,5-dichlorophenyl)sulfonimidoyl)-3-(pyridin-2-ylmethyl)-5-vinyl-3,10-diazabicyclo[4.3.1]decan-2-one | Descriptor: | (1S,5S,6R)-10-[[3,5-bis(chloranyl)phenyl]sulfonimidoyl]-5-ethenyl-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Meyners, C, Purder, P.L, Hausch, F. | Deposit date: | 2023-02-08 | Release date: | 2023-09-06 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.697 Å) | Cite: | Deconstructing Protein Binding of Sulfonamides and Sulfonamide Analogues. Jacs Au, 3, 2023
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4R34
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![BU of 4r34 by Molmil](/molmil-images/mine/4r34) | X-ray structure of the tryptophan lyase NosL with Tryptophan, 5'-deoxyadenosine and methionine bound | Descriptor: | 5'-DEOXYADENOSINE, BROMIDE ION, GLYCEROL, ... | Authors: | Nicolet, Y, Zeppieri, L, Amara, P, Fontecilla-Camps, J.-C. | Deposit date: | 2014-08-14 | Release date: | 2014-09-17 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal Structure of Tryptophan Lyase (NosL): Evidence for Radical Formation at the Amino Group of Tryptophan. Angew.Chem.Int.Ed.Engl., 53, 2014
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1U1Y
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![BU of 1u1y by Molmil](/molmil-images/mine/1u1y) | Crystal structure of a complex between WT bacteriophage MS2 coat protein and an F5 aptamer RNA stemloop with 2aminopurine substituted at the-10 position | Descriptor: | 5'-R(*CP*CP*GP*GP*(2PR)P*GP*GP*AP*UP*CP*AP*CP*CP*AP*CP*GP*G)-3', Coat protein | Authors: | Horn, W.T, Convery, M.A, Stonehouse, N.J, Adams, C.J, Liljas, L, Phillips, S.E, Stockley, P.G. | Deposit date: | 2004-07-16 | Release date: | 2004-12-07 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | The crystal structure of a high affinity RNA stem-loop complexed with the bacteriophage MS2 capsid: further challenges in the modeling of ligand-RNA interactions. Rna, 10, 2004
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4LGB
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![BU of 4lgb by Molmil](/molmil-images/mine/4lgb) | ABA-mimicking ligand N-(1-METHYL-2-OXO-1,2,3,4-TETRAHYDROQUINOLIN-6-YL)-1-(4-METHYLPHENYL)METHANESULFONAMIDE in complex with ABA receptor PYL2 and PP2C HAB1 | Descriptor: | Abscisic acid receptor PYL2, MAGNESIUM ION, N-(1-methyl-2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)-1-(4-methylphenyl)methanesulfonamide, ... | Authors: | Zhou, X.E, Gao, M, Liu, X, Zhang, Y, Xue, X, Melcher, K, Gao, P, Wang, F, Zeng, L, Zhao, Y, Zhao, Y, Deng, P, Zhong, D, Zhu, J.-K, Xu, Y, Xu, H.E. | Deposit date: | 2013-06-27 | Release date: | 2013-08-14 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | An ABA-mimicking ligand that reduces water loss and promotes drought resistance in plants. Cell Res., 23, 2013
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