8S0L
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6YTW
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![BU of 6ytw by Molmil](/molmil-images/mine/6ytw) | CLK3 bound with benzothiazole Tg003 (Cpd 2) | Descriptor: | (1~{Z})-1-(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylidene)propan-2-one, 1,2-ETHANEDIOL, CHLORIDE ION, ... | Authors: | Schroeder, M, Chaikuad, A, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2020-04-24 | Release date: | 2020-07-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | DFG-1 Residue Controls Inhibitor Binding Mode and Affinity, Providing a Basis for Rational Design of Kinase Inhibitor Selectivity. J.Med.Chem., 63, 2020
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5EU4
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![BU of 5eu4 by Molmil](/molmil-images/mine/5eu4) | HLA Class I antigen | Descriptor: | 1,2-ETHANEDIOL, Beta-2-microglobulin, GLYCEROL, ... | Authors: | Rizkallah, P.J, Bianchi, V, Cole, D.K, Sewell, A.K. | Deposit date: | 2015-11-18 | Release date: | 2016-03-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | A Molecular Switch Abrogates Glycoprotein 100 (gp100) T-cell Receptor (TCR) Targeting of a Human Melanoma Antigen. J.Biol.Chem., 291, 2016
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8B1S
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![BU of 8b1s by Molmil](/molmil-images/mine/8b1s) | co-crystal of SUDV VP40 with salicylic acid | Descriptor: | 2-HYDROXYBENZOIC ACID, Matrix protein VP40 | Authors: | Werner, A.-D, Krapoth, N, Norris, M.J, Heine, A, Klebe, G, Ollmann Saphire, E, Becker, S. | Deposit date: | 2022-09-12 | Release date: | 2023-09-27 | Last modified: | 2024-08-14 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Development of a Crystallographic Screening to Identify Sudan Virus VP40 Ligands. Acs Omega, 9, 2024
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6YTY
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![BU of 6yty by Molmil](/molmil-images/mine/6yty) | CLK3 A319V mutant bound with benzothiazole Tg003 (Cpd 2) | Descriptor: | (1~{Z})-1-(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylidene)propan-2-one, 1,2-ETHANEDIOL, Dual specificity protein kinase CLK3 | Authors: | Schroeder, M, Chaikuad, A, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2020-04-24 | Release date: | 2020-07-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | DFG-1 Residue Controls Inhibitor Binding Mode and Affinity, Providing a Basis for Rational Design of Kinase Inhibitor Selectivity. J.Med.Chem., 63, 2020
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6FTW
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![BU of 6ftw by Molmil](/molmil-images/mine/6ftw) | Crystal structure of human phosphodiesterase 4D2 catalytic domain with inhibitor NPD-048 | Descriptor: | 1,2-ETHANEDIOL, 3-{5-[(4aR,8aS)-3-cycloheptyl-4-oxo-3,4,4a,5,8,8a-hexahydrophthalazin-1-yl]-2-methoxyphenyl}prop-2-ynamide, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | Authors: | Singh, A.K, Brown, D.G. | Deposit date: | 2018-02-24 | Release date: | 2019-03-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | Alkynamide phthalazinones as a new class of TbrPDEB1 inhibitors. Bioorg.Med.Chem., 27, 2019
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7QLD
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![BU of 7qld by Molmil](/molmil-images/mine/7qld) | Crystal structure of S-layer protein SlpA from Lactobacillus acidophilus, domain I, Co-crystallization with HgCl2, Mutation Ser146Cys, (aa 32-198) | Descriptor: | CHLORIDE ION, MERCURY (II) ION, S-layer protein | Authors: | Sagmeister, T, Vejzovic, D, Eder, M, Dordic, A, Pavkov-Keller, T. | Deposit date: | 2021-12-20 | Release date: | 2022-12-28 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.153 Å) | Cite: | The molecular architecture of Lactobacillus S-layer: Assembly and attachment to teichoic acids. Proc.Natl.Acad.Sci.USA, 121, 2024
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6BWG
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8B2Y
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![BU of 8b2y by Molmil](/molmil-images/mine/8b2y) | Structure of the weakly red fluorescent protein csiFP4 from Clytia simplex | Descriptor: | CHLORIDE ION, CsiFP4 chain A, SULFATE ION | Authors: | Depernet, H, Engilberge, S, Lambert, G, Gotthard, G, Shaner, N, Royant, A. | Deposit date: | 2022-09-15 | Release date: | 2023-09-27 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.83 Å) | Cite: | Structure of the weakly red fluorescent protein csiFP4 from Clytia simplex To Be Published
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6QT2
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![BU of 6qt2 by Molmil](/molmil-images/mine/6qt2) | Radiation damage study on a 16mer DNA segment, structure at 6.2 MGy dose | Descriptor: | CALCIUM ION, DNA (5'-D(*GP*CP*TP*GP*GP*AP*AP*AP*TP*TP*TP*CP*CP*AP*GP*C)-3') | Authors: | Bugris, V, Harmat, V, Ferenc, G, Brockhauser, S, Carmichael, I, Garman, E.F. | Deposit date: | 2019-02-22 | Release date: | 2019-07-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Radiation-damage investigation of a DNA 16-mer. J.Synchrotron Radiat., 26, 2019
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7JOC
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![BU of 7joc by Molmil](/molmil-images/mine/7joc) | Carbonic Anhydrase IX Mimic Complexed with N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)adamantanecarboxamide | Descriptor: | (3S,5S,7S)-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)tricyclo[3.3.1.1~3,7~]decane-1-carboxamide, Carbonic anhydrase 2, GLYCEROL, ... | Authors: | Andring, J.T, McKenna, R. | Deposit date: | 2020-08-06 | Release date: | 2020-11-04 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.385 Å) | Cite: | Structural Basis of Nanomolar Inhibition of Tumor-Associated Carbonic Anhydrase IX: X-Ray Crystallographic and Inhibition Study of Lipophilic Inhibitors with Acetazolamide Backbone. J.Med.Chem., 63, 2020
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5UWZ
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7QLE
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![BU of 7qle by Molmil](/molmil-images/mine/7qle) | Crystal structure of S-layer protein SlpA from Lactobacillus acidophilus, domain I (aa 32-198) | Descriptor: | S-layer protein | Authors: | Sagmeister, T, Eder, M, Vejzovic, D, Dordic, A, Pavkov-Keller, T. | Deposit date: | 2021-12-20 | Release date: | 2022-12-28 | Last modified: | 2024-06-26 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | The molecular architecture of Lactobacillus S-layer: Assembly and attachment to teichoic acids. Proc.Natl.Acad.Sci.USA, 121, 2024
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6QLT
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![BU of 6qlt by Molmil](/molmil-images/mine/6qlt) | Galectin-3C in complex with fluoroaryltriazole monothiogalactoside derivative-7 | Descriptor: | (2~{R},3~{R},4~{S},5~{R},6~{S})-4-[4-(2-fluorophenyl)-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-oxane-3,5-diol, DI(HYDROXYETHYL)ETHER, Galectin-3 | Authors: | Kumar, R, Peterson, K, Nilsson, U.J, Logan, D.T. | Deposit date: | 2019-02-01 | Release date: | 2019-07-10 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Structure and Energetics of Ligand-Fluorine Interactions with Galectin-3 Backbone and Side-Chain Amides: Insight into Solvation Effects and Multipolar Interactions. Chemmedchem, 14, 2019
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6BWO
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![BU of 6bwo by Molmil](/molmil-images/mine/6bwo) | LarC2, the C-terminal domain of a cyclometallase involved in the synthesis of the NPN cofactor of lactate racemase, apo form | Descriptor: | Pyridinium-3,5-bisthiocarboxylic acid mononucleotide nickel insertion protein | Authors: | Fellner, M, Desguin, B, Hausinger, R.P, Hu, J. | Deposit date: | 2017-12-15 | Release date: | 2018-06-20 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Biosynthesis of the nickel-pincer nucleotide cofactor of lactate racemase requires a CTP-dependent cyclometallase. J. Biol. Chem., 293, 2018
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8S0N
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7JP1
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6QT6
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![BU of 6qt6 by Molmil](/molmil-images/mine/6qt6) | Radiation damage study on a 16mer DNA segment, structure at 29.2 MGy dose | Descriptor: | CALCIUM ION, DNA (5'-D(*GP*CP*TP*GP*GP*AP*AP*AP*TP*TP*TP*CP*CP*AP*GP*C)-3') | Authors: | Bugris, V, Harmat, V, Ferenc, G, Brockhauser, S, Carmichael, I, Garman, E.F. | Deposit date: | 2019-02-22 | Release date: | 2019-07-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Radiation-damage investigation of a DNA 16-mer. J.Synchrotron Radiat., 26, 2019
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6BYW
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![BU of 6byw by Molmil](/molmil-images/mine/6byw) | Structure of GoxA from Pseudoalteromonas luteoviolacea | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GoxA, ... | Authors: | Yukl, E.T, Avalos, D. | Deposit date: | 2017-12-21 | Release date: | 2018-02-14 | Last modified: | 2018-02-28 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structure and Enzymatic Properties of an Unusual Cysteine Tryptophylquinone-Dependent Glycine Oxidase from Pseudoalteromonas luteoviolacea. Biochemistry, 57, 2018
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8AK4
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![BU of 8ak4 by Molmil](/molmil-images/mine/8ak4) | Structure of the C-terminally truncated NAD+-dependent DNA ligase from the poly-extremophile Deinococcus radiodurans | Descriptor: | DNA ligase, MANGANESE (II) ION, ZINC ION | Authors: | Fernandes, A, Williamson, A.K, Matias, P.M, Moe, E. | Deposit date: | 2022-07-29 | Release date: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.36 Å) | Cite: | Structure/function studies of the NAD + -dependent DNA ligase from the poly-extremophile Deinococcus radiodurans reveal importance of the BRCT domain for DNA binding. Extremophiles, 27, 2023
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7QLS
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![BU of 7qls by Molmil](/molmil-images/mine/7qls) | CRYSTAL STRUCTURE OF E.coli ALCOHOL DEHYDROGENASE - FucO MUTANT N151G, L259V COMPLEXED WITH FE, NADH, AND DIMETHOXYPHENYL ACETAMIDE | Descriptor: | 2-(3,4-dimethoxyphenyl)ethanamide, ADENOSINE-5-DIPHOSPHORIBOSE, FE (III) ION, ... | Authors: | Sridhar, S, Kiema, T.R, Wierenga, R.K, Widersten, M. | Deposit date: | 2021-12-20 | Release date: | 2022-12-28 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structures and kinetic studies of a laboratory evolved aldehyde reductase explain the dramatic shift of its new substrate specificity. Iucrj, 10, 2023
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6ZLD
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![BU of 6zld by Molmil](/molmil-images/mine/6zld) | Crystal Structure of UDP-Glucuronic acid 4-epimerase from Bacillus cereus in complex with UDP-Glucuronic acid and NAD | Descriptor: | Epimerase domain-containing protein, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, URIDINE-5'-DIPHOSPHATE-GLUCURONIC ACID | Authors: | Iacovino, L.G, Savino, S, Mattevi, A. | Deposit date: | 2020-06-30 | Release date: | 2020-07-29 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystallographic snapshots of UDP-glucuronic acid 4-epimerase ligand binding, rotation, and reduction. J.Biol.Chem., 295, 2020
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6BWV
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![BU of 6bwv by Molmil](/molmil-images/mine/6bwv) | Crystal Structure of the 4-1BB/4-1BBL Complex | Descriptor: | DI(HYDROXYETHYL)ETHER, Tumor necrosis factor ligand superfamily member 9, Tumor necrosis factor receptor superfamily member 9 | Authors: | Oganesyan, V, Gilbreth, R.N, Baca, M. | Deposit date: | 2017-12-15 | Release date: | 2018-05-09 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structure of the human 4-1BB/4-1BBL complex. J. Biol. Chem., 293, 2018
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7JMU
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![BU of 7jmu by Molmil](/molmil-images/mine/7jmu) | Hen egg-white lysozyme with ionic liquid ethylammonium nitrate | Descriptor: | Lysozyme C, NITRATE ION | Authors: | Han, Q, Darmanin, C, Smith, K, Greaves, T, Drummond, C. | Deposit date: | 2020-08-02 | Release date: | 2020-11-11 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Lysozyme conformational changes with ionic liquids: Spectroscopic, small angle x-ray scattering and crystallographic study. J Colloid Interface Sci, 585, 2021
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6QTA
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![BU of 6qta by Molmil](/molmil-images/mine/6qta) | Crystal structure of Rea1-MIDAS/Rsa4-UBL complex from Chaetomium thermophilum | Descriptor: | GLYCEROL, MAGNESIUM ION, Midasin,Midasin, ... | Authors: | Ahmed, Y.L, Thoms, M, Hurt, E, Sinning, I. | Deposit date: | 2019-02-22 | Release date: | 2019-08-07 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Crystal structures of Rea1-MIDAS bound to its ribosome assembly factor ligands resembling integrin-ligand-type complexes. Nat Commun, 10, 2019
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