5DLT
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![BU of 5dlt by Molmil](/molmil-images/mine/5dlt) | Crystal structure of Autotaxin (ENPP2) with 7-alpha-hydroxycholesterol | Descriptor: | 7alpha-hydroxycholesterol, CALCIUM ION, Ectonucleotide pyrophosphatase/phosphodiesterase family member 2, ... | Authors: | Hausmann, J, Joosten, R.P, Perrakis, A. | Deposit date: | 2015-09-07 | Release date: | 2016-04-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Steroid binding to Autotaxin links bile salts and lysophosphatidic acid signalling. Nat Commun, 7, 2016
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5FYK
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![BU of 5fyk by Molmil](/molmil-images/mine/5fyk) | Crystal Structure at 3.7 A Resolution of Fully Glycosylated HIV-1 Clade B JR-FL SOSIP.664 Prefusion Env Trimer in Complex with Broadly Neutralizing Antibodies PGT122, 35O22 and VRC01 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 35O22, ... | Authors: | Stewart-Jones, G.B.E, Zhou, T, Thomas, P.V, Kwong, P.D. | Deposit date: | 2016-03-08 | Release date: | 2016-04-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.107 Å) | Cite: | Trimeric HIV-1-Env Structures Define Glycan Shields from Clades A, B and G Cell(Cambridge,Mass.), 165, 2016
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5DKP
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![BU of 5dkp by Molmil](/molmil-images/mine/5dkp) | Crystal Structure of N. meningitidis ClpP in complex with agonist ADEP A54556. | Descriptor: | ATP-dependent Clp protease proteolytic subunit, POTASSIUM ION, SODIUM ION, ... | Authors: | Goodreid, J.D, Janetzko, J, Santa Maria Jr, J.P, Wong, K, Leung, E, Eger, B.T, Bryson, S, Pai, E.F, Gray-Owen, S.D, Walker, S, Houry, W.A, Batey, R.A. | Deposit date: | 2015-09-03 | Release date: | 2016-01-27 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.381 Å) | Cite: | Development and Characterization of Potent Cyclic Acyldepsipeptide Analogues with Increased Antimicrobial Activity. J.Med.Chem., 59, 2016
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1UO6
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![BU of 1uo6 by Molmil](/molmil-images/mine/1uo6) | PORCINE PANCREATIC ELASTASE/Xe-COMPLEX | Descriptor: | CHLORIDE ION, ELASTASE 1, GLYCEROL, ... | Authors: | Mueller-Dieckmann, C, Polentarutti, M, Djinovic-Carugo, K, Panjikar, S, Tucker, P.A, Weiss, M.S. | Deposit date: | 2003-09-16 | Release date: | 2003-10-14 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | On the Routine Use of Soft X-Rays in Macromolecular Crystallography. Part II. Data-Collection Wavelength and Scaling Models Acta Crystallogr.,Sect.D, 60, 2004
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1XID
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![BU of 1xid by Molmil](/molmil-images/mine/1xid) | |
4ZJ1
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![BU of 4zj1 by Molmil](/molmil-images/mine/4zj1) | Crystal Structure of p-acrylamido-phenylalanine modified TEM1 beta-lactamase from Escherichia coli : V216AcrF mutant | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Beta-lactamase TEM, DI(HYDROXYETHYL)ETHER, ... | Authors: | Xiao, H, Nasertorabi, F, Choi, S, Han, G.W, Reed, S.A, Stevens, R.C, Schultz, P.G. | Deposit date: | 2015-04-28 | Release date: | 2015-05-20 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Exploring the potential impact of an expanded genetic code on protein function. Proc.Natl.Acad.Sci.USA, 112, 2015
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5ZNI
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1PI2
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![BU of 1pi2 by Molmil](/molmil-images/mine/1pi2) | |
4MUA
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![BU of 4mua by Molmil](/molmil-images/mine/4mua) | Schistosoma mansoni (Blood Fluke) Sulfotransferase | Descriptor: | ADENOSINE-3'-5'-DIPHOSPHATE, SODIUM ION, Sulfotransferase | Authors: | Valentim, C.L.L, Cioli, D, Chevalier, F.D, Cao, X, Taylor, A.B, Holloway, S.P, Pica-Mattoccia, L, Guidi, A, Basso, A, Tsai, I.J, Berriman, M, Carvalho-Queiroz, C, Almeida, M, Aguilar, H, Frantz, D.E, Hart, P.J, Anderson, T.J.C, LoVerde, P.T. | Deposit date: | 2013-09-21 | Release date: | 2013-12-18 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Genetic and molecular basis of drug resistance and species-specific drug action in schistosome parasites. Science, 342, 2013
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6NJU
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![BU of 6nju by Molmil](/molmil-images/mine/6nju) | Mouse endonuclease G mutant H97A bound to A-DNA | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, DNA (5'-D(CCGGCGCCGG)-3'), ... | Authors: | Vander Zanden, C.M, Ho, E.N, Czarny, R.S, Robertson, A.B, Ho, P.S. | Deposit date: | 2019-01-04 | Release date: | 2020-01-08 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structural adaptation of vertebrate endonuclease G for 5-hydroxymethylcytosine recognition and function. Nucleic Acids Res., 48, 2020
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4TMR
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![BU of 4tmr by Molmil](/molmil-images/mine/4tmr) | Crystal structure of ternary complex of Plasmodium vivax SHMT with glycine and a novel pyrazolopyran 99S: methyl 5-{3-[(4S)-6-amino-5-cyano-3-methyl-4-(propan-2-yl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]-5-cyanophenyl}thiophene-2-carboxylate . | Descriptor: | CHLORIDE ION, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], Serine hydroxymethyltransferase, ... | Authors: | Chitnumsub, P, Jaruwat, A, Leartsakulpanich, U, Witschel, M.C. | Deposit date: | 2014-06-02 | Release date: | 2015-03-25 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Inhibitors of Plasmodial Serine Hydroxymethyltransferase (SHMT): Cocrystal Structures of Pyrazolopyrans with Potent Blood- and Liver-Stage Activities. J.Med.Chem., 58, 2015
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6CK9
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1XIF
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![BU of 1xif by Molmil](/molmil-images/mine/1xif) | |
5KZ8
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![BU of 5kz8 by Molmil](/molmil-images/mine/5kz8) | Mark2 complex with 7-[(1S)-1-(4-fluorophenyl)ethyl]-5,5-dimethyl-2-(3-pyridylamino)pyrrolo[2,3-d]pyrimidin-6-one | Descriptor: | 5,5-dimethyl-7-[(1~{S})-4-oxidanyl-1~{H}-inden-1-yl]-2-phenylazanyl-pyrrolo[2,3-d]pyrimidin-6-one, Serine/threonine-protein kinase MARK2 | Authors: | Su, H.P, Munshi, S.K. | Deposit date: | 2016-07-23 | Release date: | 2017-05-31 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (3.21 Å) | Cite: | Structure guided design of a series of selective pyrrolopyrimidinone MARK inhibitors. Bioorg. Med. Chem. Lett., 27, 2017
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4N9E
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![BU of 4n9e by Molmil](/molmil-images/mine/4n9e) | Fragment-based Design of 3-Aminopyridine-derived Amides as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT) | Descriptor: | 1,2-ETHANEDIOL, 1-[(1-benzoylpiperidin-4-yl)methyl]-N-(pyridin-3-yl)-1H-benzimidazole-5-carboxamide, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ... | Authors: | Dragovich, P.S, Zhao, G, Baumeister, T, Bravo, B, Giannetti, A.M, Ho, Y, Hua, R, Li, G, Liang, X, O'Brien, T, Skelton, N.J, Wang, C, Zhao, Q, Oh, A, Wang, W, Wang, Y, Xiao, Y, Yuen, P, Zak, M, Zheng, X. | Deposit date: | 2013-10-20 | Release date: | 2014-02-19 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Fragment-based design of 3-aminopyridine-derived amides as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT). Bioorg.Med.Chem.Lett., 24, 2014
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3U8B
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![BU of 3u8b by Molmil](/molmil-images/mine/3u8b) | Functionally selective inhibition of Group IIA phospholipase A2 reveals a role for vimentin in regulating arachidonic acid metabolism | Descriptor: | CALCIUM ION, CHLORIDE ION, Phospholipase A2, ... | Authors: | Lee, L.K, Bryant, K.J, Bouveret, R, Lei, P.-W, Duff, A.P, Harrop, S.J, Huang, E.P, Harvey, R.P, Gelb, M.H, Gray, P.P, Curmi, P.M, Cunningham, A.M, Church, W.B, Scott, K.F. | Deposit date: | 2011-10-16 | Release date: | 2012-10-17 | Last modified: | 2013-06-12 | Method: | X-RAY DIFFRACTION (2.299 Å) | Cite: | Selective Inhibition of Human Group IIA-secreted Phospholipase A2 (hGIIA) Signaling Reveals Arachidonic Acid Metabolism Is Associated with Colocalization of hGIIA to Vimentin in Rheumatoid Synoviocytes. J.Biol.Chem., 288, 2013
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1QAL
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![BU of 1qal by Molmil](/molmil-images/mine/1qal) | THE ACTIVE SITE BASE CONTROLS COFACTOR REACTIVITY IN ESCHERICHIA COLI AMINE OXIDASE : X-RAY CRYSTALLOGRAPHIC STUDIES WITH MUTATIONAL VARIANTS | Descriptor: | CALCIUM ION, COPPER (II) ION, COPPER AMINE OXIDASE | Authors: | Murray, J.M, Wilmot, C.M, Saysell, C.G, Jaeger, J, Knowles, P.F, Phillips, S.E, McPherson, M.J. | Deposit date: | 1999-03-19 | Release date: | 1999-08-24 | Last modified: | 2021-11-03 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The active site base controls cofactor reactivity in Escherichia coli amine oxidase: x-ray crystallographic studies with mutational variants. Biochemistry, 38, 1999
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4ZQU
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![BU of 4zqu by Molmil](/molmil-images/mine/4zqu) | CdiA-CT/CdiI toxin and immunity complex from Yersinia pseudotuberculosis | Descriptor: | CHLORIDE ION, CdiA-CT toxin, Conserved domain protein, ... | Authors: | Morse, R.P, Johnson, P.M, Credali, A, Goulding, C.W. | Deposit date: | 2015-05-11 | Release date: | 2015-10-28 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Diversification of beta-Augmentation Interactions between CDI Toxin/Immunity Proteins. J.Mol.Biol., 427, 2015
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3LP3
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![BU of 3lp3 by Molmil](/molmil-images/mine/3lp3) | p15 HIV RNaseH domain with inhibitor MK3 | Descriptor: | 3-[4-(diethylamino)phenoxy]-6-(ethoxycarbonyl)-5,8-dihydroxy-7-oxo-7,8-dihydro-1,8-naphthyridin-1-ium, MANGANESE (II) ION, p15 | Authors: | Yan, Y, Munshi, S.K, Prasad, G.S, Su, H.P. | Deposit date: | 2010-02-04 | Release date: | 2010-06-09 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural basis for the inhibition of RNase H activity of HIV-1 reverse transcriptase by RNase H active site-directed inhibitors. J.Virol., 84, 2010
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6CU8
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![BU of 6cu8 by Molmil](/molmil-images/mine/6cu8) | Alpha Synuclein fibril formed by full length protein - Twister Polymorph | Descriptor: | Alpha-synuclein | Authors: | Li, B, Hatami, A, Ge, P, Murray, K.A, Sheth, P, Zhang, M, Nair, G, Sawaya, M.R, Zhu, C, Broad, M, Shin, W.S, Ye, S, John, V, Eisenberg, D.S, Zhou, Z.H, Jiang, L. | Deposit date: | 2018-03-23 | Release date: | 2018-09-12 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Cryo-EM of full-length alpha-synuclein reveals fibril polymorphs with a common structural kernel. Nat Commun, 9, 2018
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5VVF
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![BU of 5vvf by Molmil](/molmil-images/mine/5vvf) | Crystal Structure of 354BG1 Fab | Descriptor: | 1,2-ETHANEDIOL, 354BG1 Heavy Chain, 354BG1 Light Chain | Authors: | Scharf, L, Gristick, H.B, Bjorkman, P.J. | Deposit date: | 2017-05-19 | Release date: | 2017-12-06 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Asymmetric recognition of HIV-1 Envelope trimer by V1V2 loop-targeting antibodies. Elife, 6, 2017
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7F6F
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![BU of 7f6f by Molmil](/molmil-images/mine/7f6f) | Crystal structure of metal-citrate-binding protein (MctA) of ABC transporter endogenously bound to Mg2+-citrate complex (Form II) | Descriptor: | 1,2-ETHANEDIOL, CARBON DIOXIDE, CITRIC ACID, ... | Authors: | Kanaujia, S.P, Mandal, S.K, Gogoi, P. | Deposit date: | 2021-06-25 | Release date: | 2021-12-01 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural and thermodynamic insights into a novel Mg 2+ -citrate-binding protein from the ABC transporter superfamily. Acta Crystallogr D Struct Biol, 77, 2021
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1QH6
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![BU of 1qh6 by Molmil](/molmil-images/mine/1qh6) | CATALYSIS AND SPECIFICITY IN ENZYMATIC GLYCOSIDE HYDROLASES: A 2,5B CONFORMATION FOR THE GLYCOSYL-ENZYME INTERMIDIATE REVEALED BY THE STRUCTURE OF THE BACILLUS AGARADHAERENS FAMILY 11 XYLANASE | Descriptor: | XYLANASE, beta-D-xylopyranose-(1-4)-2-deoxy-2-fluoro-alpha-D-xylopyranose | Authors: | Sabini, E, Sulzenbacher, G, Dauter, M, Dauter, Z, Jorgensen, P.L, Schulein, M, Dupont, C, Davies, G.J, Wilson, K.S. | Deposit date: | 1999-05-11 | Release date: | 2000-05-17 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Catalysis and specificity in enzymatic glycoside hydrolysis: a 2,5B conformation for the glycosyl-enzyme intermediate revealed by the structure of the Bacillus agaradhaerens family 11 xylanase. Chem.Biol., 6, 1999
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7F6E
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![BU of 7f6e by Molmil](/molmil-images/mine/7f6e) | Crystal structure of metal-citrate-binding protein (MctA) of ABC transporter endogenously bound to Mg2+-citrate complex (Form I) | Descriptor: | (2S)-2-HYDROXYPROPANOIC ACID, 1,2-ETHANEDIOL, CARBON DIOXIDE, ... | Authors: | Kanaujia, S.P, Mandal, S.K, Gogoi, P. | Deposit date: | 2021-06-25 | Release date: | 2021-12-01 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Structural and thermodynamic insights into a novel Mg 2+ -citrate-binding protein from the ABC transporter superfamily. Acta Crystallogr D Struct Biol, 77, 2021
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7F6K
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![BU of 7f6k by Molmil](/molmil-images/mine/7f6k) | Crystal structure of metal-citrate-binding protein (MctA) of ABC transporter endogenously bound to citrate | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ACETATE ION, ... | Authors: | Kanaujia, S.P, Mandal, S.K, Gogoi, P. | Deposit date: | 2021-06-25 | Release date: | 2021-12-01 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural and thermodynamic insights into a novel Mg 2+ -citrate-binding protein from the ABC transporter superfamily. Acta Crystallogr D Struct Biol, 77, 2021
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