8ABU
 
 | | Crystal structure of NaLdpA mutant H97Q in complex with erythro-DGPD | | Descriptor: | (1S,2R)-1,2-bis(3-methoxy-4-oxidanyl-phenyl)propane-1,3-diol, SnoaL-like domain-containing protein | | Authors: | Zahn, M, Kuatsjah, E, Beckham, G.T, McGeehan, J.E. | | Deposit date: | 2022-07-04 | | Release date: | 2023-02-01 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.661 Å) | | Cite: | Biochemical and structural characterization of a sphingomonad diarylpropane lyase for cofactorless deformylation.
Proc.Natl.Acad.Sci.USA, 120, 2023
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7B8U
 | | Notum-Fragment 201 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(piperidin-1-yl)-1,2,5-oxadiazol-3-amine, Palmitoleoyl-protein carboxylesterase NOTUM, ... | | Authors: | Zhao, Y, Jonees, E.Y. | | Deposit date: | 2020-12-13 | | Release date: | 2022-01-12 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Structural Analysis and Development of Notum Fragment Screening Hits.
Acs Chem Neurosci, 13, 2022
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7B8M
 | | Notum-Fragment 193 | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-methoxy-2-(1~{H}-pyrazol-3-yl)phenol, ... | | Authors: | Zhao, Y, Jonees, E.Y. | | Deposit date: | 2020-12-13 | | Release date: | 2022-01-12 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | Structural Analysis and Development of Notum Fragment Screening Hits.
Acs Chem Neurosci, 13, 2022
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6O1J
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7B8O
 | | Notum-Fragment 199 | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Palmitoleoyl-protein carboxylesterase NOTUM, ... | | Authors: | Zhao, Y, Jonees, E.Y. | | Deposit date: | 2020-12-13 | | Release date: | 2022-01-12 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structural Analysis and Development of Notum Fragment Screening Hits.
Acs Chem Neurosci, 13, 2022
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6QHQ
 | | Time resolved structural analysis of the full turnover of an enzyme - 1128 ms | | Descriptor: | Fluoroacetate dehalogenase, fluoroacetic acid | | Authors: | Schulz, E.C, Mehrabi, P, Pai, E.F, Miller, D. | | Deposit date: | 2019-01-17 | | Release date: | 2019-09-25 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.735 Å) | | Cite: | Time-resolved crystallography reveals allosteric communication aligned with molecular breathing.
Science, 365, 2019
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6QHW
 | | Time resolved structural analysis of the full turnover of an enzyme - 4512 ms | | Descriptor: | Fluoroacetate dehalogenase, GLYCOLIC ACID, fluoroacetic acid | | Authors: | Schulz, E.C, Mehrabi, P, Pai, E.F, Miller, D. | | Deposit date: | 2019-01-17 | | Release date: | 2019-09-25 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.718 Å) | | Cite: | Time-resolved crystallography reveals allosteric communication aligned with molecular breathing.
Science, 365, 2019
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7B8N
 | | Notum-Fragment 197 | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-azanyl-2-(pyridin-3-ylmethylamino)benzoic acid, ... | | Authors: | Zhao, Y, Jonees, E.Y. | | Deposit date: | 2020-12-13 | | Release date: | 2022-01-12 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | Structural Analysis and Development of Notum Fragment Screening Hits.
Acs Chem Neurosci, 13, 2022
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8E0F
 | | Human Adenosine Deaminase Acting on dsRNA (ADAR2-RD) bound to dsRNA containing a G-G pair adjacent to the target site | | Descriptor: | Double-stranded RNA-specific editase 1, INOSITOL HEXAKISPHOSPHATE, RNA (5-R(*GP*CP*UP*CP*GP*CP*GP*AP*UP*GP*CP*GP*(8AZ)P*GP*AP*GP*GP*GP*CP* UP*CP*UP*GP*AP*UP*AP*GP*CP*UP*AP*CP*G)-3), ... | | Authors: | Wilcox, X.E, Fisher, A.J, Beal, P.A. | | Deposit date: | 2022-08-09 | | Release date: | 2022-10-26 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | ADAR activation by inducing a syn conformation at guanosine adjacent to an editing site.
Nucleic Acids Res., 50, 2022
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8QTD
 | | Local refinement of SARS-CoV-2 BA.2.86 Spike and XBB-7 Fab | | Descriptor: | Spike glycoprotein,Fibritin, XBB-7 fab heavy chain, XBB-7 fab light chain | | Authors: | Ren, J, Duyvesteyn, H.M.E, Stuart, D.I. | | Deposit date: | 2023-10-12 | | Release date: | 2024-05-08 | | Last modified: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | A structure-function analysis shows SARS-CoV-2 BA.2.86 balances antibody escape and ACE2 affinity.
Cell Rep Med, 5, 2024
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8PKI
 | | Cryo-EM structure of NR5A2-nucleosome complex SHL+5.5 | | Descriptor: | DNA, Histone H2A, Histone H2B type 1-C/E/G, ... | | Authors: | Kobayashi, W, Sappler, A, Bollschweiler, D, Kummecke, M, Basquin, J, Arslantas, E, Ruangroengkulrith, S, Hornberger, R, Duderstadt, K, Tachibana, K. | | Deposit date: | 2023-06-26 | | Release date: | 2024-02-28 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (2.58 Å) | | Cite: | Nucleosome-bound NR5A2 structure reveals pioneer factor mechanism by DNA minor groove anchor competition.
Nat.Struct.Mol.Biol., 31, 2024
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7B8K
 | | Notum-Fragment 173 | | Descriptor: | 1,2-ETHANEDIOL, 1~{H}-benzimidazol-2-ylcyanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Zhao, Y, Jonees, E.Y. | | Deposit date: | 2020-12-12 | | Release date: | 2022-01-12 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural Analysis and Development of Notum Fragment Screening Hits.
Acs Chem Neurosci, 13, 2022
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7U6P
 | | Structure of an intellectual disability-associated ornithine decarboxylase variant G84R | | Descriptor: | Ornithine decarboxylase, PHOSPHATE ION | | Authors: | Zhou, X.E, Schultz, C.R, Powell, K.S, Henrickson, A, Lamp, J, Brunzelle, J.S, Demeler, B, Vega, I.E, Bachmann, A.S, Melcher, K. | | Deposit date: | 2022-03-04 | | Release date: | 2022-10-19 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Structure and Enzymatic Activity of an Intellectual Disability-Associated Ornithine Decarboxylase Variant, G84R.
Acs Omega, 7, 2022
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6QHY
 | | Time resolved structural analysis of the full turnover of an enzyme - 100 ms | | Descriptor: | Fluoroacetate dehalogenase, fluoroacetic acid | | Authors: | Schulz, E.C, Mehrabi, P, Pai, E.F, Miller, D. | | Deposit date: | 2019-01-17 | | Release date: | 2019-09-25 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.698 Å) | | Cite: | Time-resolved crystallography reveals allosteric communication aligned with molecular breathing.
Science, 365, 2019
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7U6U
 | | Structure of an intellectual disability-associated ornithine decarboxylase variant G84R in complex with PLP | | Descriptor: | Ornithine decarboxylase, PYRIDOXAL-5'-PHOSPHATE | | Authors: | Zhou, X.E, Schultz, C.R, Powell, K.S, Henrickson, A, Lamp, J, Brunzelle, J.S, Demeler, B, Vega, I.E, Bachmann, A.S, Melcher, K. | | Deposit date: | 2022-03-06 | | Release date: | 2022-10-19 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structure and Enzymatic Activity of an Intellectual Disability-Associated Ornithine Decarboxylase Variant, G84R.
Acs Omega, 7, 2022
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5NCD
 | | Crystal structure of the polysaccharide deacetylase Bc1974 from Bacillus cereus in complex with (2S)-2-amino-5-(diaminomethylideneamino)-N-hydroxypentanamide | | Descriptor: | ACETATE ION, CITRIC ACID, N-HYDROXY-L-ARGININAMIDE, ... | | Authors: | Giastas, P, Andreou, A, Eliopoulos, E.E. | | Deposit date: | 2017-03-03 | | Release date: | 2018-02-21 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.447 Å) | | Cite: | Structures of the Peptidoglycan N-Acetylglucosamine Deacetylase Bc1974 and Its Complexes with Zinc Metalloenzyme Inhibitors.
Biochemistry, 57, 2018
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7B8J
 | | Notum-Fragment 163 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Palmitoleoyl-protein carboxylesterase NOTUM, SULFATE ION, ... | | Authors: | Zhao, Y, Jonees, E.Y. | | Deposit date: | 2020-12-12 | | Release date: | 2022-01-12 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structural Analysis and Development of Notum Fragment Screening Hits.
Acs Chem Neurosci, 13, 2022
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7B8Z
 | | Notum-Fragment 277 | | Descriptor: | 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]ethanenitrile, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | | Authors: | Zhao, Y, Jonees, E.Y. | | Deposit date: | 2020-12-13 | | Release date: | 2022-01-12 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Structural Analysis and Development of Notum Fragment Screening Hits.
Acs Chem Neurosci, 13, 2022
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7B8X
 | | Notum-Fragment 210 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, Palmitoleoyl-protein carboxylesterase NOTUM, ... | | Authors: | Zhao, Y, Jonees, E.Y. | | Deposit date: | 2020-12-13 | | Release date: | 2022-01-12 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.51 Å) | | Cite: | Structural Analysis and Development of Notum Fragment Screening Hits.
Acs Chem Neurosci, 13, 2022
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6FNY
 | | CRYSTAL STRUCTURE OF A CHOLINE SULFATASE FROM SINORHIZOBIUM MELLILOTI | | Descriptor: | CALCIUM ION, Choline-sulfatase | | Authors: | Valkov, E, Van Loo, B, Hollfelder, F, Hyvonen, M. | | Deposit date: | 2018-02-05 | | Release date: | 2018-02-28 | | Last modified: | 2018-04-04 | | Method: | X-RAY DIFFRACTION (2.79 Å) | | Cite: | Structural and Mechanistic Analysis of the Choline Sulfatase from Sinorhizobium melliloti: A Class I Sulfatase Specific for an Alkyl Sulfate Ester.
J. Mol. Biol., 430, 2018
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5JVD
 | | Tubulin-TUB092 complex | | Descriptor: | (2E)-3-(3-hydroxy-4-methoxyphenyl)-1-(7-methoxy-2H-1,3-benzodioxol-5-yl)-2-methylprop-2-en-1-one, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | | Authors: | Canela, M.-D, Noppen, S, Bueno, O, Prota, A.E, Bargsten, K, Saez-Calvo, G, Jimeno, M.-L, Benkheil, M, Ribatti, D, Velazquez, S, Camarasa, M.-J, Diaz, J.F, Steinmetz, M.O, Priego, E.-M, Perez-Perez, M.-J, Liekens, S. | | Deposit date: | 2016-05-11 | | Release date: | 2016-06-08 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.393 Å) | | Cite: | Antivascular and antitumor properties of the tubulin-binding chalcone TUB091.
Oncotarget, 8, 2017
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8UTF
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7B8L
 | | Notum-Fragment 174 | | Descriptor: | 1,2-ETHANEDIOL, 2,4-bis(fluoranyl)-6-(1~{H}-pyrazol-3-yl)phenol, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Zhao, Y, Jonees, E.Y. | | Deposit date: | 2020-12-13 | | Release date: | 2022-01-12 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Structural Analysis and Development of Notum Fragment Screening Hits.
Acs Chem Neurosci, 13, 2022
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7B8Y
 | | Notum-Fragment 276 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-(3-ethoxyphenyl)-1,3,4-thiadiazol-2-amine, DIMETHYL SULFOXIDE, ... | | Authors: | Zhao, Y, Jonees, E.Y. | | Deposit date: | 2020-12-13 | | Release date: | 2022-01-12 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | Structural Analysis and Development of Notum Fragment Screening Hits.
Acs Chem Neurosci, 13, 2022
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8DUS
 | | Estrogen Receptor Alpha Ligand Binding Domain in Complex with (1'-(4-(2-(ethylamino)ethoxy)phenyl)-6'-hydroxy-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl)(phenyl)methanone | | Descriptor: | Estrogen receptor, [(1'R)-1'-{4-[2-(ethylamino)ethoxy]phenyl}-6'-hydroxy-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl](phenyl)methanone | | Authors: | Hancock, G.R, Young, K.S, Hosfield, D.J, Joiner, C, Sullivan, E.A, Yildz, Y, Laine, M, Greene, G.L, Fanning, S.W. | | Deposit date: | 2022-07-27 | | Release date: | 2022-11-09 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Unconventional isoquinoline-based SERMs elicit fulvestrant-like transcriptional programs in ER+ breast cancer cells.
NPJ Breast Cancer, 8, 2022
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