6S7N
 
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7RXW
 | | Human Methionine Adenosyltransferase 2A bound to Methylthioadenosine and inhibitor imido-diphosphate (PNP) | | Descriptor: | 1,2-ETHANEDIOL, 5'-DEOXY-5'-METHYLTHIOADENOSINE, ALANINE, ... | | Authors: | Fedorov, E, Niland, C.N, Schramm, V.L, Ghosh, A. | | Deposit date: | 2021-08-23 | | Release date: | 2021-11-10 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.07 Å) | | Cite: | Mechanism of Triphosphate Hydrolysis by Human MAT2A at 1.07 angstrom Resolution.
J.Am.Chem.Soc., 143, 2021
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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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7RXX
 | | Human Methionine Adenosyltransferase 2A bound to Methylthioadenosine and two sulfate in the active site | | Descriptor: | 1,2-ETHANEDIOL, 3,6,9,12,15-PENTAOXAHEPTADECANE, 5'-DEOXY-5'-METHYLTHIOADENOSINE, ... | | Authors: | Fedorov, E, Niland, C.N, Schramm, V.L, Ghosh, A. | | Deposit date: | 2021-08-23 | | Release date: | 2021-11-10 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Mechanism of Triphosphate Hydrolysis by Human MAT2A at 1.07 angstrom Resolution.
J.Am.Chem.Soc., 143, 2021
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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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7S3F
 | | Structure of cofactor pyridoxal 5-phosphate bound human ornithine decarboxylase in complex with its inhibitor 1-amino-oxy-3-aminopropane | | Descriptor: | 3-AMINOOXY-1-AMINOPROPANE, Ornithine decarboxylase, PYRIDOXAL-5'-PHOSPHATE | | Authors: | Zhou, X.E, Suino-Powell, K, Schultz, C.R, Aleiwi, B, Brunzelle, J.S, Lamp, J, Vega, I.E, Ellsworth, E, Bachmann, A.S, Melcher, K. | | Deposit date: | 2021-09-06 | | Release date: | 2021-12-15 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.49 Å) | | Cite: | Structural basis of binding and inhibition of ornithine decarboxylase by 1-amino-oxy-3-aminopropane.
Biochem.J., 478, 2021
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6S7J
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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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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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4PZI
 | | Zinc finger region of MLL2 in complex with CpG DNA | | Descriptor: | DNA (5'-D(*GP*CP*CP*AP*CP*CP*GP*GP*TP*GP*GP*C)-3'), Histone-lysine N-methyltransferase 2B, UNKNOWN ATOM OR ION, ... | | Authors: | Chao, X, Tempel, W, Liu, K, Dong, A, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2014-03-31 | | Release date: | 2014-06-04 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | DNA Sequence Recognition of Human CXXC Domains and Their Structural Determinants.
Structure, 26, 2018
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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
 | | 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
 | | 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
 | | 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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4QAQ
 | | 1.58 A resolution structure of CT263 (MTAN) from Chlamydia trachomatis | | Descriptor: | CT263, SULFATE ION | | Authors: | Barta, M.L, Thomas, K, Lovell, S, Battaile, K.P, Schramm, V.L, Hefty, P.S. | | Deposit date: | 2014-05-05 | | Release date: | 2014-10-01 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Structural and Biochemical Characterization of Chlamydia trachomatis Hypothetical Protein CT263 Supports That Menaquinone Synthesis Occurs through the Futalosine Pathway.
J.Biol.Chem., 289, 2014
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4QG5
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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
 | | 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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7SHW
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4QAT
 | | 1.75 A resolution structure of CT263-D161N (MTAN) from Chlamydia trachomatis bound to MTA | | Descriptor: | 5'-DEOXY-5'-METHYLTHIOADENOSINE, CT263 | | Authors: | Barta, M.L, Thomas, K, Lovell, S, Battaile, K.P, Schramm, V.L, Hefty, P.S. | | Deposit date: | 2014-05-05 | | Release date: | 2014-10-01 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structural and Biochemical Characterization of Chlamydia trachomatis Hypothetical Protein CT263 Supports That Menaquinone Synthesis Occurs through the Futalosine Pathway.
J.Biol.Chem., 289, 2014
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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
 | | 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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7SIT
 | | Crystal structure of Voltage gated potassium ion channel, Kv 1.2 chimera-3m | | Descriptor: | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, OXYGEN ATOM, POTASSIUM ION, ... | | Authors: | Reddi, R, Matulef, K, Riederer, E.A, Whorton, M.R, Valiyaveetil, F.I. | | Deposit date: | 2021-10-14 | | Release date: | 2022-05-04 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.32 Å) | | Cite: | Structural basis for C-type inactivation in a Shaker family voltage-gated K + channel.
Sci Adv, 8, 2022
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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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