6S6K
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![BU of 6s6k by Molmil](/molmil-images/mine/6s6k) | Crystal Structure of BRD4(1) bound to inhibitor BUX2 (9) | Descriptor: | (R,R)-2,3-BUTANEDIOL, Bromodomain-containing protein 4, ~{N}-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide | Authors: | Huegle, M. | Deposit date: | 2019-07-03 | Release date: | 2020-12-09 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | 4-Acyl Pyrroles as Dual BET-BRD7/9 Bromodomain Inhibitors Address BETi Insensitive Human Cancer Cell Lines. J.Med.Chem., 63, 2020
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6S7N
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6S07
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![BU of 6s07 by Molmil](/molmil-images/mine/6s07) | Structure of formylglycine-generating enzyme at 1.04 A in complex with copper and substrate reveals an acidic pocket for binding and acti-vation of molecular oxygen. | Descriptor: | Abz-ALA-THR-THR-PRO-LEU-CYS-GLY-PRO-SER-ARG-ALA-SER-ILE-LEU-SER-GLY-ARG, CALCIUM ION, CHLORIDE ION, ... | Authors: | Leisinger, F, Miarzlou, D.A, Seebeck, F.P. | Deposit date: | 2019-06-14 | Release date: | 2019-06-26 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.04 Å) | Cite: | Structure of formylglycine-generating enzyme in complex with copper and a substrate reveals an acidic pocket for binding and activation of molecular oxygen. Chem Sci, 10, 2019
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6S7J
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6S86
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![BU of 6s86 by Molmil](/molmil-images/mine/6s86) | Human wtSTING in complex with 3'3'-c-di-GMP | Descriptor: | 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), Stimulator of Interferon genes | Authors: | Smola, M, Boura, E. | Deposit date: | 2019-07-08 | Release date: | 2019-07-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | No magnesium is needed for binding of the stimulator of interferon genes to cyclic dinucleotides. Acta Crystallogr.,Sect.F, 75, 2019
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6S7Z
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![BU of 6s7z by Molmil](/molmil-images/mine/6s7z) | Fumarate hydratase of Mycobacterium tuberculosis in complex with formate and allosteric modulator N-(5-((3,4-Dihydroisoquinolin-2(1H)-yl)sulfonyl)-2-methoxyphenyl)-2-(4-oxo-3,4-dihydrophthalazin-1-yl)acetamide | Descriptor: | FORMIC ACID, Fumarate hydratase class II, MAGNESIUM ION, ... | Authors: | Whitehouse, A.J, Libardo, M.D, Kasbekar, M, Brear, P, Fischer, G, Thomas, C.J, Barry, C.E, Boshoff, H.I, Coyne, A.G, Abell, C. | Deposit date: | 2019-07-07 | Release date: | 2019-09-25 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Targeting of Fumarate Hydratase fromMycobacterium tuberculosisUsing Allosteric Inhibitors with a Dimeric-Binding Mode. J.Med.Chem., 62, 2019
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6S9V
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![BU of 6s9v by Molmil](/molmil-images/mine/6s9v) | Crystal structure of sucrose 6F-phosphate phosphorylase from Thermoanaerobacter thermosaccharolyticum | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, HEXAETHYLENE GLYCOL, ... | Authors: | Capra, N, Franceus, J, Desmet, T, Thunnissen, A.M.W.H. | Deposit date: | 2019-07-15 | Release date: | 2019-08-28 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Structural Comparison of a Promiscuous and a Highly Specific Sucrose 6 F -Phosphate Phosphorylase. Int J Mol Sci, 20, 2019
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6S99
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![BU of 6s99 by Molmil](/molmil-images/mine/6s99) | Dimethylated fusion protein of RSL and trimeric coiled coil in complex with cucurbit[7]uril | Descriptor: | 4dzn-RSL,Fucose-binding lectin protein,Fucose-binding lectin protein, beta-D-mannopyranose, cucurbit[7]uril | Authors: | Ramberg, K, Engilberge, S, Crowley, P.B. | Deposit date: | 2019-07-11 | Release date: | 2020-08-26 | Last modified: | 2022-12-07 | Method: | X-RAY DIFFRACTION (2.649 Å) | Cite: | Segregated Protein-Cucurbit[7]uril Crystalline Architectures via Modulatory Peptide Tectons. Chemistry, 2021
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6SAT
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6S8W
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![BU of 6s8w by Molmil](/molmil-images/mine/6s8w) | Aromatic aminotransferase AroH (Aro8) form Aspergillus fumigatus in complex with PLP (internal aldimine) | Descriptor: | Aromatic aminotransferase Aro8, putative, FORMIC ACID, ... | Authors: | Giardina, G, Mirco, D, Spizzichino, S, Zelante, T, Cutruzzola, F, Romani, L, Cellini, B. | Deposit date: | 2019-07-10 | Release date: | 2020-08-26 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structure of Aspergillus fumigatus AroH, an aromatic amino acid aminotransferase Proteins, 2021
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6SAH
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![BU of 6sah by Molmil](/molmil-images/mine/6sah) | Crystal Structure of BRD4(1) bound to inhibitor BUX5 (11) | Descriptor: | Bromodomain-containing protein 4, ~{N}-(2-methoxy-5-piperidin-1-ylsulfonyl-phenyl)-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide | Authors: | Huegle, M. | Deposit date: | 2019-07-16 | Release date: | 2020-12-09 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | 4-Acyl Pyrroles as Dual BET-BRD7/9 Bromodomain Inhibitors Address BETi Insensitive Human Cancer Cell Lines. J.Med.Chem., 63, 2020
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6SBW
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![BU of 6sbw by Molmil](/molmil-images/mine/6sbw) | CdbA Form One | Descriptor: | CdbA | Authors: | Lovering, A.L, Cadby, I.T. | Deposit date: | 2019-07-22 | Release date: | 2020-04-22 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | CdbA is a DNA-binding protein and c-di-GMP receptor important for nucleoid organization and segregation in Myxococcus xanthus. Nat Commun, 11, 2020
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6SA3
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![BU of 6sa3 by Molmil](/molmil-images/mine/6sa3) | Crystal Structure of BRD4(1) bound to inhibitor BUX4 (13) | Descriptor: | Bromodomain-containing protein 4, ~{N}-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide | Authors: | Huegle, M. | Deposit date: | 2019-07-16 | Release date: | 2020-12-09 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | 4-Acyl Pyrroles as Dual BET-BRD7/9 Bromodomain Inhibitors Address BETi Insensitive Human Cancer Cell Lines. J.Med.Chem., 63, 2020
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6SKB
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![BU of 6skb by Molmil](/molmil-images/mine/6skb) | Crystal Structure of Human Kallikrein 6 (N217D/I218Y/K224R) in complex with GSK3496783A | Descriptor: | 4-[(3~{R})-1-oxidanyl-3,4-dihydro-2,1-benzoxaborinin-3-yl]-2-(pyridin-3-ylmethoxy)benzenecarboximidamide, 4-[(3~{S})-1-oxidanyl-3,4-dihydro-2,1-benzoxaborinin-3-yl]-2-(pyridin-3-ylmethoxy)benzenecarboximidamide, GLYCEROL, ... | Authors: | Thorpe, J.H. | Deposit date: | 2019-08-15 | Release date: | 2019-09-25 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Design and development of a series of borocycles as selective, covalent kallikrein 5 inhibitors. Bioorg.Med.Chem.Lett., 29, 2019
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6S9U
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![BU of 6s9u by Molmil](/molmil-images/mine/6s9u) | Crystal structure of sucrose 6F-phosphate phosphorylase from Ilumatobacter coccineus | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, PHOSPHATE ION, ... | Authors: | Capra, N, Franceus, J, Desmet, T, Thunnissen, A.M.W.H. | Deposit date: | 2019-07-15 | Release date: | 2019-08-28 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structural Comparison of a Promiscuous and a Highly Specific Sucrose 6 F -Phosphate Phosphorylase. Int J Mol Sci, 20, 2019
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6SB8
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![BU of 6sb8 by Molmil](/molmil-images/mine/6sb8) | Crystal Structure of BRD4(1) bound to inhibitor BUX14 (7) | Descriptor: | (R,R)-2,3-BUTANEDIOL, Bromodomain-containing protein 4, ~{N}-[5-(diethylsulfamoyl)-2-oxidanyl-phenyl]-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide | Authors: | Huegle, M. | Deposit date: | 2019-07-19 | Release date: | 2020-12-09 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | 4-Acyl Pyrroles as Dual BET-BRD7/9 Bromodomain Inhibitors Address BETi Insensitive Human Cancer Cell Lines. J.Med.Chem., 63, 2020
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7DV4
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![BU of 7dv4 by Molmil](/molmil-images/mine/7dv4) | Crystal structure of anti-CTLA-4 VH domain in complex with human CTLA-4 | Descriptor: | 1,2-ETHANEDIOL, 4003-1(VH), Cytotoxic T-lymphocyte protein 4 | Authors: | Li, H, Gan, X, He, Y. | Deposit date: | 2021-01-12 | Release date: | 2022-01-12 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | An anti-CTLA-4 heavy chain-only antibody with enhanced T reg depletion shows excellent preclinical efficacy and safety profile. Proc.Natl.Acad.Sci.USA, 119, 2022
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8PRY
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6SAJ
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![BU of 6saj by Molmil](/molmil-images/mine/6saj) | Crystal Structure of BRD4(1) bound to inhibitor BUX6 (12) | Descriptor: | (R,R)-2,3-BUTANEDIOL, Bromodomain-containing protein 4, ~{N}-[2-methoxy-5-(2-oxa-6-azaspiro[3.3]heptan-6-ylsulfonyl)phenyl]-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide | Authors: | Huegle, M. | Deposit date: | 2019-07-16 | Release date: | 2020-12-16 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | 4-Acyl Pyrroles as Dual BET-BRD7/9 Bromodomain Inhibitors Address BETi Insensitive Human Cancer Cell Lines. J.Med.Chem., 63, 2020
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6SBX
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![BU of 6sbx by Molmil](/molmil-images/mine/6sbx) | CdbA Form Two | Descriptor: | CdbA | Authors: | Lovering, A.L, Cadby, I.T. | Deposit date: | 2019-07-22 | Release date: | 2020-04-22 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | CdbA is a DNA-binding protein and c-di-GMP receptor important for nucleoid organization and segregation in Myxococcus xanthus. Nat Commun, 11, 2020
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6SDA
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![BU of 6sda by Molmil](/molmil-images/mine/6sda) | Bd2924 C10 acyl-coenzymeA bound form | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Probable acyl-CoA dehydrogenase, decanoyl-CoA | Authors: | Lovering, A.L, Harding, C.J. | Deposit date: | 2019-07-26 | Release date: | 2019-09-11 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Target highlights in CASP13: Experimental target structures through the eyes of their authors. Proteins, 87, 2019
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6SD8
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![BU of 6sd8 by Molmil](/molmil-images/mine/6sd8) | Bd2924 apo-form | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Probable acyl-CoA dehydrogenase | Authors: | Lovering, A.L, Harding, C.J. | Deposit date: | 2019-07-26 | Release date: | 2019-09-11 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | Target highlights in CASP13: Experimental target structures through the eyes of their authors. Proteins, 87, 2019
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6SAR
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![BU of 6sar by Molmil](/molmil-images/mine/6sar) | E coli BepA/YfgC | Descriptor: | Beta-barrel assembly-enhancing protease, SULFATE ION, ZINC ION | Authors: | Lovering, A.L, Cadby, I.T. | Deposit date: | 2019-07-17 | Release date: | 2020-08-26 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Structure-Function Characterization of the Conserved Regulatory Mechanism of the Escherichia coli M48 Metalloprotease BepA. J.Bacteriol., 203, 2020
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6SKJ
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![BU of 6skj by Molmil](/molmil-images/mine/6skj) | DeltaC2 C-terminal truncation of HsNMT1 in complex with MyrCoA and GNCFSKPR substrates | Descriptor: | Apoptosis-inducing factor 3, COENZYME A, GLYCEROL, ... | Authors: | Dian, C, Riviere, F.B, Asensio, T, Giglione, C, Meinnel, T. | Deposit date: | 2019-08-15 | Release date: | 2020-03-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | High-resolution snapshots of human N-myristoyltransferase in action illuminate a mechanism promoting N-terminal Lys and Gly myristoylation. Nat Commun, 11, 2020
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6STU
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![BU of 6stu by Molmil](/molmil-images/mine/6stu) | Adenovirus 30 Fiber Knob protein | Descriptor: | 1,2-ETHANEDIOL, Fiber, GLUTAMIC ACID | Authors: | Baker, A.T, Mundy, R.M, Rizkallah, P.J, Parker, A.L. | Deposit date: | 2019-09-11 | Release date: | 2020-09-16 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | Broad sialic acid usage amongst species D human adenovirus npj Viruses, 1, 2023
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