6QZK
 
 | | Structure of Clostridium butyricum Argonaute bound to a guide DNA (5' deoxycytidine) and a 19-mer target DNA | | Descriptor: | Clostridium butyricum Argonaute, DNA target (5'-D(T*AP*TP*AP*CP*AP*AP*CP*CP*TP*AP*CP*TP*AP*CP*CP*TP*CP*T)-3'), FORMIC ACID, ... | | Authors: | Swarts, D.C, Jinek, M, Hegge, J.W, Van der Oost, J. | | Deposit date: | 2019-03-11 | | Release date: | 2019-04-24 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.548 Å) | | Cite: | DNA-guided DNA cleavage at moderate temperatures by Clostridium butyricum Argonaute.
Nucleic Acids Res., 47, 2019
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8FE5
 | | Structure of J-PKAc chimera complexed with Aplithianine B | | Descriptor: | 6-[(6P)-6-(1-methyl-1H-imidazol-5-yl)-2,3-dihydro-4H-1,4-thiazin-4-yl]-7,9-dihydro-8H-purin-8-one, DnaJ homolog subfamily B member 1,cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha | | Authors: | Du, L, Wilson, B.A.P, Li, N, Martinez Fiesco, J.A, Dalilian, M, Wang, D, Smith, E.A, Wamiru, A, Goncharova, E.I, Zhang, P, O'Keefe, B.R. | | Deposit date: | 2022-12-05 | | Release date: | 2023-10-18 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | Discovery and Synthesis of a Naturally Derived Protein Kinase Inhibitor that Selectively Inhibits Distinct Classes of Serine/Threonine Kinases.
J.Nat.Prod., 86, 2023
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6QND
 | | Liquid Application Method for time-resolved Analyses (LAMA) by serial synchrotron crystallography, Xylose Isomerase 60 s timepoint | | Descriptor: | COBALT (II) ION, D-glucose, MAGNESIUM ION, ... | | Authors: | Mehrabi, P, Schulz, E.C, Miller, R.J.D. | | Deposit date: | 2019-02-11 | | Release date: | 2019-10-02 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.001 Å) | | Cite: | Liquid application method for time-resolved analyses by serial synchrotron crystallography.
Nat.Methods, 16, 2019
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8FZW
 | | Thaumatin crystallized in cyclic olefin copolymer-based microfluidic chips | | Descriptor: | L(+)-TARTARIC ACID, Thaumatin I | | Authors: | Liu, Z, Gu, K, Shelby, M.L, Gilbile, D, Lyubimov, A.Y, Russi, S, Cohen, A.E, Coleman, M.A, Frank, M, Kuhl, T.L. | | Deposit date: | 2023-01-30 | | Release date: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | A user-friendly plug-and-play cyclic olefin copolymer-based microfluidic chip for room-temperature, fixed-target serial crystallography.
Acta Crystallogr D Struct Biol, 79, 2023
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8DCO
 | | Crystal structure of the GDP-D-glycero-4-keto-D-lyxo-heptose-3,5-epimerase from Campylobacter jejuni, serotype HS:42 | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, GDP-D-glycero-4-keto-D-lyxo-heptose-3,5-epimerase, ... | | Authors: | Thoden, J.B, Xiang, D.F, Ghosh, M.K, Raushel, F.M, Holden, H.M. | | Deposit date: | 2022-06-17 | | Release date: | 2022-06-29 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | C3- and C3/C5-Epimerases Required for the Biosynthesis of the Capsular Polysaccharides from Campylobacter jejuni .
Biochemistry, 61, 2022
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5HJR
 | | Murine endoplasmic reticulum alpha-glucosidase II with bound covalent intermediate | | Descriptor: | 1,2-ETHANEDIOL, 5-fluoro-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Caputo, A.T, Roversi, P, Alonzi, D.S, Kiappes, J.L, Zitzmann, N. | | Deposit date: | 2016-01-13 | | Release date: | 2016-07-27 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structures of mammalian ER alpha-glucosidase II capture the binding modes of broad-spectrum iminosugar antivirals.
Proc.Natl.Acad.Sci.USA, 113, 2016
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8DCL
 | | Crystal structure of the GDP-D-glycero-4-keto-D-lyxo-heptose-3-epimerase from campylobacter jejuni, serotype HS:23/36 | | Descriptor: | 1,2-ETHANEDIOL, GDP-D-glycero-4-keto-D-lyxo-heptose-3-epimerase, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Thoden, J.B, Ghosh, M.K, Xiang, D.F, Raushel, F.M, Holden, H.M. | | Deposit date: | 2022-06-16 | | Release date: | 2022-06-29 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | C3- and C3/C5-Epimerases Required for the Biosynthesis of the Capsular Polysaccharides from Campylobacter jejuni .
Biochemistry, 61, 2022
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4TX8
 | | Crystal Structure of a Family GH18 Chitinase from Chromobacterium violaceum | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CITRATE ANION, ... | | Authors: | Pereira, H.M, Lobo, M.D.P, Brandao-Neto, J, Grangeiro, T.B. | | Deposit date: | 2014-07-02 | | Release date: | 2015-10-14 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.17 Å) | | Cite: | Crystal Structure of a Family GH18 Chitinase from Chromobacterium violaceum
To Be Published
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5O3Z
 | | Crystal structure of Sorbitol-6-Phosphate 2-dehydrogenase SrlD from Erwinia amylovora | | Descriptor: | CHLORIDE ION, Sorbitol-6-phosphate dehydrogenase | | Authors: | Salomone-Stagni, M, Bartho, J.D, Bellini, D, Walsh, M.A, Benini, S. | | Deposit date: | 2017-05-25 | | Release date: | 2018-06-13 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Structural and functional analysis of Erwinia amylovora SrlD. The first crystal structure of a sorbitol-6-phosphate 2-dehydrogenase.
J.Struct.Biol., 203, 2018
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8QLP
 | | CryoEM structure of the RNA/DNA bound SPARTA (BabAgo/TIR-APAZ) tetrameric complex | | Descriptor: | DNA (5'-D(*AP*CP*TP*AP*AP*TP*AP*GP*AP*TP*TP*AP*GP*AP*GP*CP*CP*GP*TP*C)-3'), MAGNESIUM ION, RNA (5'-R(*AP*UP*GP*AP*CP*GP*GP*CP*UP*CP*UP*AP*AP*UP*CP*UP*AP*UP*UP*AP*GP*U)-3'), ... | | Authors: | Finocchio, G, Koopal, B, Potocnik, A, Heijstek, C, Jinek, M, Swarts, D. | | Deposit date: | 2023-09-20 | | Release date: | 2024-01-31 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.14 Å) | | Cite: | Target DNA-dependent activation mechanism of the prokaryotic immune system SPARTA.
Nucleic Acids Res., 52, 2024
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7TBF
 | | Locally refined region of SARS-CoV-2 spike in complex with antibodies B1-182.1 and A19-61.1 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of SARS-CoV-2 antibody A19-61.1, Heavy chain of SARS-CoV-2 antibody B1-182.1, ... | | Authors: | Zhou, T, Tsybovsky, T, Kwong, P.D. | | Deposit date: | 2021-12-21 | | Release date: | 2022-03-30 | | Last modified: | 2024-10-09 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structural basis for potent antibody neutralization of SARS-CoV-2 variants including B.1.1.529.
Science, 376, 2022
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6ZF5
 | | Keap1 kelch domain bound to a small molecule inhibitor of the Keap1-Nrf2 protein-protein interaction | | Descriptor: | 1-[3-[(4-butylphenyl)sulfonyl-(2-hydroxy-2-oxoethyl)amino]phenyl]-5-cyclopropyl-pyrazole-4-carboxylic acid, DIMETHYL SULFOXIDE, Kelch-like ECH-associated protein 1, ... | | Authors: | Narayanan, D, Bach, A, Gajhede, M. | | Deposit date: | 2020-06-16 | | Release date: | 2021-04-14 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.29 Å) | | Cite: | Deconstructing Noncovalent Kelch-like ECH-Associated Protein 1 (Keap1) Inhibitors into Fragments to Reconstruct New Potent Compounds.
J.Med.Chem., 64, 2021
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6QPH
 | | Dunaliella minimal PSI complex | | Descriptor: | (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, ... | | Authors: | Klaiman, D, Caspy, I, Nelson, N. | | Deposit date: | 2019-02-14 | | Release date: | 2020-02-12 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Structure of a minimal photosystem I from the green alga Dunaliella salina.
Nat.Plants, 6, 2020
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4U01
 | | HCV NS3/4A serine protease in complex with 6570 | | Descriptor: | (2S,3aS,10Z,11aS,12aR)-2-({8-fluoro-7-methoxy-2-[4-(propan-2-yl)-1,3-thiazol-2-yl]quinolin-4-yl}oxy)-5-methyl-N-[(1-methylcyclopropyl)sulfonyl]-4,14-dioxo-1,2,3,3a,4,5,6,7,8,9,11a,12,13,14-tetradecahydro-12aH-cyclopropa[m]pyrrolo[1,2-c][1,3,6]triazacyclotetradecine-12a-carboxamide, CHLORIDE ION, NS4A protein, ... | | Authors: | Parsy, C.C, Alexandre, F.-R, Brandt, G, Caillet, C, Chaves, D, Derock, M, Gloux, D, Griffon, Y, Lallos, L.B, Leroy, F, Liuzzi, M, Loi, A.-G, Mayes, B, Moulat, L, Moussa, A, Chiara, M, Roques, V, Rosinovsky, E, Seifer, M, Stewart, A, Wang, J, Standring, D, Surleraux, D. | | Deposit date: | 2014-07-11 | | Release date: | 2015-07-29 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Discovery and structural diversity of the hepatitis C virus NS3/4A serine protease inhibitor series leading to clinical candidate IDX320.
Bioorg.Med.Chem.Lett., 25, 2015
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6ZEX
 | | Keap1 kelch domain bound to a small molecule fragment | | Descriptor: | 5-cyclopropyl-1-phenyl-pyrazole-4-carboxylic acid, DIMETHYL SULFOXIDE, Kelch-like ECH-associated protein 1 | | Authors: | Narayanan, D, Bach, A, Gajhede, M. | | Deposit date: | 2020-06-16 | | Release date: | 2021-04-14 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Deconstructing Noncovalent Kelch-like ECH-Associated Protein 1 (Keap1) Inhibitors into Fragments to Reconstruct New Potent Compounds.
J.Med.Chem., 64, 2021
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8DAK
 | | Crystal structure of the GDP-D-glycero-4-keto-d-lyxo-heptose-3-epimerase from Campylobacter jejuni, serotype HS:3 | | Descriptor: | CHLORIDE ION, GDP-D-glycero-4-keto-d-lyxo-heptose-3-epimerase, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Thoden, J.B, Ghosh, M.K, Xiang, D.F, Raushel, F.M, Holden, H.M. | | Deposit date: | 2022-06-13 | | Release date: | 2022-06-22 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | C3- and C3/C5-Epimerases Required for the Biosynthesis of the Capsular Polysaccharides from Campylobacter jejuni .
Biochemistry, 61, 2022
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8FTM
 | | Setx-ssRNA-ADP-SO4 complex | | Descriptor: | 5'-3' RNA helicase-like protein, ADENOSINE-5'-DIPHOSPHATE, RNA (5'-R(*UP*UP*UP*UP*UP*UP*UP*UP*UP*UP*UP*U)-3'), ... | | Authors: | Williams, R.S, Appel, C.D. | | Deposit date: | 2023-01-12 | | Release date: | 2023-10-25 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (3.01 Å) | | Cite: | Sen1 architecture: RNA-DNA hybrid resolution, autoregulation, and insights into SETX inactivation in AOA2.
Mol.Cell, 83, 2023
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6ZBX
 | | Structure of the catalytic domain of the Bacillus circulans alpha-1,6 Mannanase in complex with an alpha-1,6- alpha-manno-cyclophellitol carbasugar-stabilised trisaccharide inhibitor | | Descriptor: | (1~{S},2~{R},3~{S},4~{R},5~{R})-5-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol, (1~{S},4~{S},5~{R})-6-(hydroxymethyl)cyclohexane-1,2,3,4,5-pentol, 1,2-ETHANEDIOL, ... | | Authors: | Schroeder, S, Offen, W.A, Jin, Y, De Boer, C, Enoterpi, J, Marino, L, van der Marel, G.A, Codee, J.D.C, Overkleeft, H.S, Davies, G.J. | | Deposit date: | 2020-06-09 | | Release date: | 2021-04-28 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Development of Non-Hydrolysable Oligosaccharide Activity-Based Inactivators for Endoglycanases: A Case Study on alpha-1,6 Mannanases.
Chemistry, 27, 2021
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8QSO
 | | Crystal structure of human Mcl-1 in complex with compound 1 | | Descriptor: | (13S,16R,19S)-16-benzyl-43-ethoxy-N-methyl-7,11,14,17-tetraoxo-13-phenyl-5-oxa-2,8,12,15,18-pentaaza-1(1,4),4(1,2)-dibenzena-9(1,4)-cyclohexanacycloicosaphane-19-carboxamide, Maltose/maltodextrin-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | | Authors: | Hekking, K.F.W, Gremmen, S, Maroto, S, Keefe, A.D, Zhang, Y. | | Deposit date: | 2023-10-10 | | Release date: | 2024-02-14 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.106 Å) | | Cite: | Development of Potent Mcl-1 Inhibitors: Structural Investigations on Macrocycles Originating from a DNA-Encoded Chemical Library Screen.
J.Med.Chem., 67, 2024
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8FAR
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5HHD
 | | Crystal Structure of Chemically Synthesized Heterochiral {RFX037 plus VEGF-A} Protein Complex in space group P21 | | Descriptor: | D-Peptide RFX037.D, D-Vascular endothelial growth factor, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Uppalapati, M, LEE, D.J, Mandal, K, Kent, S.B.H, Sidhu, S. | | Deposit date: | 2016-01-10 | | Release date: | 2016-03-09 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | A Potent d-Protein Antagonist of VEGF-A is Nonimmunogenic, Metabolically Stable, and Longer-Circulating in Vivo.
Acs Chem.Biol., 11, 2016
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6N35
 | | Anti-HIV-1 Fab 2G12 + Man1-2 re-refinement | | Descriptor: | BENZOIC ACID, Fab 2G12 heavy chain, Fab 2G12 light chain, ... | | Authors: | Calarese, D.A, Stanfield, R.L, Wilson, I.A. | | Deposit date: | 2018-11-14 | | Release date: | 2018-11-28 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.747 Å) | | Cite: | Antibody domain exchange is an immunological solution to carbohydrate cluster recognition.
Science, 300, 2003
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8R1C
 | | SD1-2 Fab in complex with SARS-CoV-2 BA.2.12.1 Spike Glycoprotein | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, SD1-2 fab heavy chain, SD1-2 fab light chain, ... | | Authors: | Duyvesteyn, H.M.E, Ren, J, Stuart, D.I. | | Deposit date: | 2023-11-01 | | Release date: | 2024-03-13 | | Last modified: | 2024-04-10 | | Method: | ELECTRON MICROSCOPY (2.2 Å) | | Cite: | The SARS-CoV-2 neutralizing antibody response to SD1 and its evasion by BA.2.86.
Nat Commun, 15, 2024
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5ELE
 | | Cholera toxin El Tor B-pentamer in complex with A Lewis-y | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, BICINE, CALCIUM ION, ... | | Authors: | Heggelund, J.E, Burschowsky, D, Krengel, U. | | Deposit date: | 2015-11-04 | | Release date: | 2016-03-30 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | High-Resolution Crystal Structures Elucidate the Molecular Basis of Cholera Blood Group Dependence.
Plos Pathog., 12, 2016
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8XFB
 | | Cryo-EM structure of partial dimeric WDR11-FAM91A1 complex | | Descriptor: | Protein FAM91A1, WD repeat-containing protein 11 | | Authors: | Jia, G.W, Deng, Q.H, Su, Z.M, Jia, D. | | Deposit date: | 2023-12-13 | | Release date: | 2024-08-14 | | Last modified: | 2024-10-09 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | The WDR11 complex is a receptor for acidic-cluster-containing cargo proteins.
Cell, 187, 2024
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