5HG1
 
 | | Crystal Structure of Human Hexokinase 2 with cmpd 1, a C-2-substituted glucosamine | | Descriptor: | 2-deoxy-2-{[(2E)-3-(3,4-dichlorophenyl)prop-2-enoyl]amino}-alpha-D-glucopyranose, 6-O-phosphono-beta-D-glucopyranose, CITRATE ANION, ... | | Authors: | Campobasso, N, Zhao, B, Smallwood, A. | | Deposit date: | 2016-01-07 | | Release date: | 2016-03-30 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.76 Å) | | Cite: | Discovery of a Novel 2,6-Disubstituted Glucosamine Series of Potent and Selective Hexokinase 2 Inhibitors.
Acs Med.Chem.Lett., 7, 2016
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4U7W
 | | The crystal structure of the terminal R domain from the myxalamid PKS-NRPS biosynthetic pathway | | Descriptor: | ACETATE ION, MxaA, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Tsai, S.C, Keasling, J.D, Luo, R, Barajas, J.F, Phelan, R.M, Schaub, A.J, Kliewer, J. | | Deposit date: | 2014-07-31 | | Release date: | 2015-08-12 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.899 Å) | | Cite: | Comprehensive Structural and Biochemical Analysis of the Terminal Myxalamid Reductase Domain for the Engineered Production of Primary Alcohols.
Chem.Biol., 22, 2015
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6TZ9
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5D2I
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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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5KCC
 | | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with Oxabicyclic Heptene Sulfonamide (OBHS-N) | | Descriptor: | (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-N-phenyl-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide, Estrogen receptor, NCOA2 | | Authors: | Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W. | | Deposit date: | 2016-06-06 | | Release date: | 2016-11-16 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.386 Å) | | Cite: | Full antagonism of the estrogen receptor without a prototypical ligand side chain.
Nat. Chem. Biol., 13, 2017
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6U0W
 | | Crystal structure of Staphylococcal nuclease variant Delta+PHS K133M at cryogenic temperature | | Descriptor: | CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease | | Authors: | Jeliazkov, J.R, Robinson, A.C, Berger, J.M, Garcia-Moreno E, B, Gray, J.G. | | Deposit date: | 2019-08-15 | | Release date: | 2019-08-28 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Toward the computational design of protein crystals with improved resolution.
Acta Crystallogr D Struct Biol, 75, 2019
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8Q3R
 | | Cryo-EM structure of the DNA polymerase holoenzyme E9-A20-D4 of vaccinia virus | | Descriptor: | DNA polymerase, DNA polymerase processivity factor component OPG148, Uracil-DNA glycosylase | | Authors: | Burmeister, W.P, Ballandras-Colas, A, Boettcher, B, Grimm, C. | | Deposit date: | 2023-08-04 | | Release date: | 2024-05-08 | | Last modified: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Structure and flexibility of the DNA polymerase holoenzyme of vaccinia virus.
Plos Pathog., 20, 2024
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5JQ4
 | | Structure of a GNAT acetyltransferase SACOL1063 from Staphylococcus aureus | | Descriptor: | 1,2-ETHANEDIOL, Acetyltransferase SACOL1063, CHLORIDE ION, ... | | Authors: | Majorek, K.A, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2016-05-04 | | Release date: | 2016-06-29 | | Last modified: | 2022-04-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Insight into the 3D structure and substrate specificity of previously uncharacterized GNAT superfamily acetyltransferases from pathogenic bacteria.
Biochim.Biophys.Acta, 1865, 2016
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8AQW
 | | BA.4/5 SARS-CoV-2 Spike bound to mouse ACE2 (local) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2,Ig gamma-2A chain C region, ... | | Authors: | Lau, K, Ni, D, Beckert, B, Nazarov, S, Myasnikov, A, Pojer, F, Stahlberg, H, Uchikawa, E. | | Deposit date: | 2022-08-13 | | Release date: | 2023-03-15 | | Last modified: | 2023-04-19 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Cryo-EM structures and binding of mouse and human ACE2 to SARS-CoV-2 variants of concern indicate that mutations enabling immune escape could expand host range.
Plos Pathog., 19, 2023
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6QKL
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8VTT
 | | Meis1 homeobox domain bound to neomycin fragment | | Descriptor: | Homeobox protein Meis1, RIBOSTAMYCIN, SULFATE ION | | Authors: | Tomchick, D.R, Ahmed, M.S, Nguyen, N.U.N, Sadek, H.A. | | Deposit date: | 2024-01-27 | | Release date: | 2024-02-14 | | Last modified: | 2024-09-11 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Identification of FDA-approved drugs that induce heart regeneration in mammals.
Nat Cardiovasc Res, 3, 2024
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7JZT
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1M1K
 | | Co-crystal structure of azithromycin bound to the 50S ribosomal subunit of Haloarcula marismortui | | Descriptor: | 23S RRNA, 5S RRNA, AZITHROMYCIN, ... | | Authors: | Hansen, J.L, Ippolito, J.A, Ban, N, Nissen, P, Moore, P.B, Steitz, T.A. | | Deposit date: | 2002-06-19 | | Release date: | 2002-07-19 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | The structures of four macrolide antibiotics bound to the large ribosomal subunit.
Mol.Cell, 10, 2002
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6W0H
 | | Closed-gate KcsA soaked in 5mM KCl/5mM BaCl2 | | Descriptor: | Fab Heavy Chain, Fab Light Chain, POTASSIUM ION, ... | | Authors: | Rohaim, A, Gong, L, Li, J. | | Deposit date: | 2020-02-29 | | Release date: | 2020-07-08 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Open and Closed Structures of a Barium-Blocked Potassium Channel.
J.Mol.Biol., 432, 2020
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6HZN
 | | Crystal structure of human dermatan sulfate epimerase 1 | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Hasan, M, Unge, J, Westergren-Thorsson, G, Ellervik, U, Mueller, U, Malmstrom, A, Tykesson, E. | | Deposit date: | 2018-10-23 | | Release date: | 2020-01-22 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.41 Å) | | Cite: | The structure of human dermatan sulfate epimerase 1 emphasizes the importance of C5-epimerization of glucuronic acid in higher organisms
Chem Sci, 2020
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7K4P
 | | Crystal structure of Kemp Eliminase HG3 | | Descriptor: | Endo-1,4-beta-xylanase | | Authors: | Padua, R.A.P, Otten, R, Bunzel, A, Nguyen, V, Pitsawong, W, Patterson, M, Sui, S, Perry, S.L, Cohen, A.E, Hilvert, D, Kern, D. | | Deposit date: | 2020-09-16 | | Release date: | 2020-12-02 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.08 Å) | | Cite: | How directed evolution reshapes the energy landscape in an enzyme to boost catalysis.
Science, 370, 2020
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8EQ5
 | | Crystal structure of the N-terminal kinase domain of RSK2 in complex with SPRED2 (131-160) | | Descriptor: | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 6-deoxy-alpha-L-mannopyranoside, Ribosomal protein S6 kinase alpha-3, Sprouty-related, ... | | Authors: | Bonsor, D.A, Lopez, J, McCormick, F, Simanshu, D.K. | | Deposit date: | 2022-10-07 | | Release date: | 2023-04-26 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The ribosomal S6 kinase 2 (RSK2)-SPRED2 complex regulates the phosphorylation of RSK substrates and MAPK signaling.
J.Biol.Chem., 299, 2023
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6G3E
 | | Crystal structure of EDDS lyase in complex with formate | | Descriptor: | Argininosuccinate lyase, FORMIC ACID, SODIUM ION | | Authors: | Poddar, H, Thunnissem, A.M.W.H, Poelarends, G.J. | | Deposit date: | 2018-03-25 | | Release date: | 2018-05-16 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural Basis for the Catalytic Mechanism of Ethylenediamine- N, N'-disuccinic Acid Lyase, a Carbon-Nitrogen Bond-Forming Enzyme with a Broad Substrate Scope.
Biochemistry, 57, 2018
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5HYL
 | | Crystal structure of DR2231_E47A mutant in complex with dUMPNPP and magnesium | | Descriptor: | 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, DR2231, MAGNESIUM ION | | Authors: | Mota, C.S, Goncalves, A.M.D, de Sanctis, D. | | Deposit date: | 2016-02-01 | | Release date: | 2016-10-26 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Deinococcus radiodurans DR2231 is a two-metal-ion mechanism hydrolase with exclusive activity on dUTP.
FEBS J., 283, 2016
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7K4S
 | | Crystal structure of Kemp Eliminase HG3.7 | | Descriptor: | Endo-1,4-beta-xylanase, SULFATE ION | | Authors: | Padua, R.A.P, Otten, R, Bunzel, A, Nguyen, V, Pitsawong, W, Patterson, M, Sui, S, Perry, S.L, Cohen, A.E, Hilvert, D, Kern, D. | | Deposit date: | 2020-09-16 | | Release date: | 2020-12-02 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | How directed evolution reshapes the energy landscape in an enzyme to boost catalysis.
Science, 370, 2020
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7K16
 | | Tamana Bat Virus xrRNA1 | | Descriptor: | MAGNESIUM ION, RNA (51-MER), SODIUM ION | | Authors: | Jones, R.A, Kieft, J.S. | | Deposit date: | 2020-09-07 | | Release date: | 2020-10-14 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Different tertiary interactions create the same important 3D features in a distinct flavivirus xrRNA.
Rna, 27, 2021
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5YA8
 | | Crystal structure of scyllo-inositol dehydrogenase with L-glucose dehydrogenase activity complexed with myo-inositol | | Descriptor: | 1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Scyllo-inositol dehydrogenase with L-glucose dehydrogenase activity | | Authors: | Fukano, K, Shimizu, T, Sasaki, Y, Nakamura, A, Yajima, S. | | Deposit date: | 2017-08-31 | | Release date: | 2018-05-23 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural basis of L-glucose oxidation by scyllo-inositol dehydrogenase: Implications for a novel enzyme subfamily classification
PLoS ONE, 13, 2018
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5KEG
 | | Crystal structure of APOBEC3A in complex with a single-stranded DNA | | Descriptor: | CALCIUM ION, CHLORIDE ION, DNA (5'-D(*TP*TP*CP*TP*T)-3'), ... | | Authors: | Kouno, T, Hilbert, B.J, Silvas, T, Royer, W.E, Matsuo, H, Schiffer, C.A. | | Deposit date: | 2016-06-09 | | Release date: | 2017-05-10 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structure of APOBEC3A bound to single-stranded DNA reveals structural basis for cytidine deamination and specificity.
Nat Commun, 8, 2017
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6HID
 | | The ATAD2 bromodomain in complex with compound 16 | | Descriptor: | ATPase family AAA domain-containing protein 2, SULFATE ION, ~{N}-[4-ethanoyl-5-(4-morpholin-4-ylcarbonylphenyl)-1,3-thiazol-2-yl]piperazine-2-carboxamide | | Authors: | Sledz, P, Caflisch, A. | | Deposit date: | 2018-08-29 | | Release date: | 2019-02-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.768 Å) | | Cite: | Hitting a Moving Target: Simulation and Crystallography Study of ATAD2 Bromodomain Blockers.
Acs Med.Chem.Lett., 11, 2020
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