6W12
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![BU of 6w12 by Molmil](/molmil-images/mine/6w12) | Crystal Structure of the Carbohydrate Recognition Domain of the Human Macrophage Galactose C-Type Lectin Bound to the Tumor-Associated Tn Antigen | Descriptor: | 2-acetamido-2-deoxy-alpha-D-galactopyranose, C-type lectin domain family 10 member A, CALCIUM ION, ... | Authors: | Birrane, G, Murphy, P.V, Gabba, A, Luz, J.G. | Deposit date: | 2020-03-03 | Release date: | 2021-03-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structure of the Carbohydrate Recognition Domain of the Human Macrophage Galactose C-Type Lectin Bound to GalNAc and the Tumor-Associated Tn Antigen. Biochemistry, 60, 2021
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6W29
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![BU of 6w29 by Molmil](/molmil-images/mine/6w29) | Trypanosoma cruzi Malic Enzyme in complex with inhibitor (MEC013) | Descriptor: | 3,5-bis(fluoranyl)-~{N}-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CITRIC ACID, ... | Authors: | Mercaldi, G.F, Fagundes, M, Faria, J.N, Cordeiro, A.T. | Deposit date: | 2020-03-05 | Release date: | 2021-03-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Trypanosoma cruzi Malic Enzyme Is the Target for Sulfonamide Hits from the GSK Chagas Box. Acs Infect Dis., 7, 2021
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6W2N
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![BU of 6w2n by Molmil](/molmil-images/mine/6w2n) | Trypanosoma cruzi Malic Enzyme in complex with inhibitor (MEC009) | Descriptor: | 3,5-bis(fluoranyl)-~{N}-[3-[(2-fluoranyl-4-methoxy-phenyl)sulfamoyl]phenyl]benzamide, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CITRIC ACID, ... | Authors: | Mercaldi, G.F, Fagundes, M, Faria, J.N, Cordeiro, A.T. | Deposit date: | 2020-03-06 | Release date: | 2021-03-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Trypanosoma cruzi Malic Enzyme Is the Target for Sulfonamide Hits from the GSK Chagas Box. Acs Infect Dis., 7, 2021
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5D2A
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![BU of 5d2a by Molmil](/molmil-images/mine/5d2a) | Bifunctional dendrimers | Descriptor: | 3,7-anhydro-2,8-dideoxy-L-glycero-D-gluco-octonic acid, CALCIUM ION, Fucose-binding lectin, ... | Authors: | Michaud, G, Visini, R, Stocker, A, Darbre, T, Reymond, J.L. | Deposit date: | 2015-08-05 | Release date: | 2016-02-10 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.134 Å) | Cite: | Overcoming antibiotic resistance inPseudomonas aeruginosabiofilms using glycopeptide dendrimers. Chem Sci, 7, 2016
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5KLI
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![BU of 5kli by Molmil](/molmil-images/mine/5kli) | Rhodobacter sphaeroides bc1 with stigmatellin and antimycin | Descriptor: | (1R)-2-{[(R)-(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(DODECANOYLOXY)METHYL]ETHYL (9Z)-OCTADEC-9-ENOATE, (2R,3S,6S,7R,8R)-3-{[3-(FORMYLAMINO)-2-HYDROXYBENZOYL]AMINO}-8-HEXYL-2,6-DIMETHYL-4,9-DIOXO-1,5-DIOXONAN-7-YL (2S)-2-METHYLBUTANOATE, Cytochrome b, ... | Authors: | Xia, D, Esser, L, Zhou, F, Tang, W.K, Yu, C.A. | Deposit date: | 2016-06-24 | Release date: | 2016-10-12 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.996 Å) | Cite: | Hydrogen Bonding to the Substrate Is Not Required for Rieske Iron-Sulfur Protein Docking to the Quinol Oxidation Site of Complex III. J.Biol.Chem., 291, 2016
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6W81
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![BU of 6w81 by Molmil](/molmil-images/mine/6w81) | |
7AFQ
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![BU of 7afq by Molmil](/molmil-images/mine/7afq) | Ribosome binding factor A (RbfA) | Descriptor: | Ribosome-binding factor A | Authors: | Schedlbauer, A, Iturrioz, I, Ochoa-Lizarralde, B, Diercks, T, Fucini, P, Connell, S. | Deposit date: | 2020-09-19 | Release date: | 2020-12-16 | Last modified: | 2024-06-19 | Method: | SOLUTION NMR | Cite: | A conserved rRNA switch is central to decoding site maturation on the small ribosomal subunit. Sci Adv, 7, 2021
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1JWK
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![BU of 1jwk by Molmil](/molmil-images/mine/1jwk) | Murine Inducible Nitric Oxide Synthase Oxygenase Dimer (Delta 65) with W457A Mutation at Tetrahydrobiopterin Binding Site | Descriptor: | 1,2-ETHANEDIOL, 7,8-DIHYDROBIOPTERIN, GLYCEROL, ... | Authors: | Aoyagi, M, Arvai, A.S, Ghosh, S, Stuehr, D.J, Tainer, J.A, Getzoff, E.D. | Deposit date: | 2001-09-04 | Release date: | 2001-10-31 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structures of tetrahydrobiopterin binding-site mutants of inducible nitric oxide synthase oxygenase dimer and implicated roles of Trp457. Biochemistry, 40, 2001
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5D7X
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8I7J
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![BU of 8i7j by Molmil](/molmil-images/mine/8i7j) | |
1JWT
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![BU of 1jwt by Molmil](/molmil-images/mine/1jwt) | CRYSTAL STRUCTURE OF THROMBIN IN COMPLEX WITH A NOVEL BICYCLIC LACTAM INHIBITOR | Descriptor: | 4-OXO-2-PHENYLMETHANESULFONYL-OCTAHYDRO-PYRROLO[1,2-A]PYRAZINE-6-CARBOXYLIC ACID [1-(N-HYDROXYCARBAMIMIDOYL)-PIPERIDIN-4-YLMETHYL]-AMIDE, Prothrombin | Authors: | Levesque, S, St-Denis, Y, Bachand, B, Preville, P, Leblond, L, Winocour, P.D, Edmunds, J.J, Rubin, J.R, Siddiqui, M.A. | Deposit date: | 2001-09-05 | Release date: | 2002-02-27 | Last modified: | 2017-10-04 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Novel bicyclic lactam inhibitors of thrombin: potency and selectivity optimization through P1 residues. Bioorg.Med.Chem.Lett., 11, 2001
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1JXO
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6PUM
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![BU of 6pum by Molmil](/molmil-images/mine/6pum) | Structure of human MAIT A-F7 TCR in complex with human MR1-2'D-5-OP-RU | Descriptor: | 1,2-dideoxy-1-({2,6-dioxo-5-[(E)-(2-oxopropylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-erythro-pentitol, Beta-2-microglobulin, GLYCEROL, ... | Authors: | Awad, W, Keller, A.N, Rossjohn, J. | Deposit date: | 2019-07-18 | Release date: | 2020-02-19 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | The molecular basis underpinning the potency and specificity of MAIT cell antigens. Nat.Immunol., 21, 2020
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1K0H
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![BU of 1k0h by Molmil](/molmil-images/mine/1k0h) | Solution structure of bacteriophage lambda gpFII | Descriptor: | gpFII | Authors: | Maxwell, K.L, Yee, A.A, Arrowsmith, C.H, Gold, M, Davidson, A.R. | Deposit date: | 2001-09-19 | Release date: | 2002-07-17 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | The solution structure of the bacteriophage lambda head-tail joining protein, gpFII. J.Mol.Biol., 318, 2002
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2W63
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![BU of 2w63 by Molmil](/molmil-images/mine/2w63) | |
2W62
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![BU of 2w62 by Molmil](/molmil-images/mine/2w62) | Saccharomyces cerevisiae Gas2p in complex with laminaripentaose | Descriptor: | 1,4-BUTANEDIOL, GLYCOLIPID-ANCHORED SURFACE PROTEIN 2, beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose | Authors: | Schuettelkopf, A.W, Hurtado-Guerrero, R, van Aalten, D.M.F. | Deposit date: | 2008-12-16 | Release date: | 2009-01-27 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Molecular Mechanisms of Yeast Cell Wall Glucan Remodeling. J.Biol.Chem., 284, 2009
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5D9R
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![BU of 5d9r by Molmil](/molmil-images/mine/5d9r) | Crystal structure of a conserved domain in the intermembrane space region of the plastid division protein ARC6 | Descriptor: | Protein ACCUMULATION AND REPLICATION OF CHLOROPLASTS 6, chloroplastic | Authors: | Radhakrishnan, A, Kumar, N, Su, C.-C, Chou, T.-H, Yu, E. | Deposit date: | 2015-08-18 | Release date: | 2015-11-11 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.052 Å) | Cite: | Crystal structure of a conserved domain in the intermembrane space region of the plastid division protein ARC6. Protein Sci., 25, 2016
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5KJL
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![BU of 5kjl by Molmil](/molmil-images/mine/5kjl) | SMYD2 in complex with AZ378 | Descriptor: | N-lysine methyltransferase SMYD2, S-ADENOSYLMETHIONINE, ZINC ION | Authors: | Ferguson, A. | Deposit date: | 2016-06-20 | Release date: | 2016-12-07 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Design, Synthesis, and Biological Activity of Substrate Competitive SMYD2 Inhibitors. J. Med. Chem., 59, 2016
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4IGU
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1TB6
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![BU of 1tb6 by Molmil](/molmil-images/mine/1tb6) | 2.5A Crystal Structure of the Antithrombin-Thrombin-Heparin Ternary Complex | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2,3,4,6-tetra-O-sulfonato-alpha-D-glucopyranose-(1-4)-2,3,6-tri-O-sulfo-alpha-D-glucopyranose-(1-4)-2,3,6-tri-O-sulfonato-beta-D-glucopyranose-(1-4)-2,3-di-O-methyl-6-O-sulfonato-alpha-D-glucopyranose-(1-4)-2,3,6-tri-O-methyl-beta-D-glucopyranose-(1-4)-2,3,6-tri-O-methyl-alpha-D-glucopyranose-(1-4)-2,3,6-tri-O-methyl-beta-D-glucopyranose-(1-4)-2,3,6-tri-O-methyl-alpha-D-glucopyranose-(1-4)-2,3,6-tri-O-methyl-beta-D-glucopyranose-(1-4)-2,3,6-tri-O-methyl-alpha-D-glucopyranose-(1-4)-2,3,6-tri-O-methyl-beta-D-glucopyranose-(1-4)-2,3-di-O-methyl-6-O-sulfonato-alpha-D-glucopyranose-(1-4)-2,3-di-O-methyl-beta-D-glucopyranuronic acid-(1-4)-2,3,6-tri-O-sulfo-alpha-D-glucopyranose-(1-4)-2,3-di-O-methyl-alpha-L-idopyranuronic acid-(1-4)-methyl 3-O-methyl-2,6-di-O-sulfo-alpha-D-glucopyranoside, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Li, W, Johnson, D.J, Esmon, C.T, Huntington, J.A. | Deposit date: | 2004-05-19 | Release date: | 2004-08-17 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure of the antithrombin-thrombin-heparin ternary complex reveals the antithrombotic mechanism of heparin. Nat.Struct.Mol.Biol., 11, 2004
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6W49
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![BU of 6w49 by Molmil](/molmil-images/mine/6w49) | Trypanosoma cruzi Malic Enzyme in complex with inhibitor (MEC010) | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CITRIC ACID, Malic enzyme, ... | Authors: | Mercaldi, G.F, Fagundes, M, Faria, J.N, Cordeiro, A.T. | Deposit date: | 2020-03-10 | Release date: | 2021-04-07 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Trypanosoma cruzi Malic Enzyme Is the Target for Sulfonamide Hits from the GSK Chagas Box. Acs Infect Dis., 7, 2021
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2W8U
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![BU of 2w8u by Molmil](/molmil-images/mine/2w8u) | SPT with PLP, N100Y | Descriptor: | PYRIDOXAL-5'-PHOSPHATE, SERINE PALMITOYLTRANSFERASE | Authors: | Raman, M.C.C, Johnson, K.A, Campopiano, D.J, Naismith, J.H. | Deposit date: | 2009-01-19 | Release date: | 2009-01-27 | Last modified: | 2015-11-18 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | The External-Aldimine Form of Serine Palmitoyltranserase; Structural, Kinetic and Spectroscopic Analysis of the Wild-Type Enzyme and Hsan1 Mutant Mimics. J.Biol.Chem., 284, 2009
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7BRN
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![BU of 7brn by Molmil](/molmil-images/mine/7brn) | Crystal structure of Atg40 AIM fused to Atg8 | Descriptor: | 1,2-ETHANEDIOL, Autophagy-related protein 40,Autophagy-related protein 8, L-EPINEPHRINE | Authors: | Yamasaki, A, Noda, N.N. | Deposit date: | 2020-03-29 | Release date: | 2020-07-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.231 Å) | Cite: | Super-assembly of ER-phagy receptor Atg40 induces local ER remodeling at contacts with forming autophagosomal membranes. Nat Commun, 11, 2020
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2W95
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![BU of 2w95 by Molmil](/molmil-images/mine/2w95) | STructure of the Discoidin I from Dictyostelium discoideum in complex with GalNAc at 1.75 angstrom resolution | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-galactopyranose, ... | Authors: | Saboia Aragao, K, Imberty, A, Varrot, A. | Deposit date: | 2009-01-21 | Release date: | 2010-03-31 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Discoidin I from Dictyostelium Discoideum and Interactions with Oligosaccharides: Specificity, Affinity, Crystal Structures and Comparison with Discoidin II. J.Mol.Biol., 400, 2010
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5KV7
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![BU of 5kv7 by Molmil](/molmil-images/mine/5kv7) | Human cyclophilin A at 278K, Data set 9 | Descriptor: | Peptidyl-prolyl cis-trans isomerase A | Authors: | Russi, S, Gonzalez, A, Kenner, L.R, Keedy, D.A, Fraser, J.S, van den Bedem, H. | Deposit date: | 2016-07-13 | Release date: | 2016-08-31 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Conformational variation of proteins at room temperature is not dominated by radiation damage. J Synchrotron Radiat, 24, 2017
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