8GOU
 
 | | Omicron BA.4/5 SARS-CoV-2 S in complex with TH003 Fab | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, TH003 Fab heavy chain, ... | | Authors: | Guo, Y, Zhang, G, Liang, J, Liu, F, Rao, Z. | | Deposit date: | 2022-08-25 | | Release date: | 2023-06-28 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Discovery and characterization of potent pan-variant SARS-CoV-2 neutralizing antibodies from individuals with Omicron breakthrough infection.
Nat Commun, 14, 2023
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4DDL
 | | PDE10a Crystal Structure Complexed with Novel Inhibitor | | Descriptor: | 2-{1-[5-(6,7-dimethoxycinnolin-4-yl)-3-methylpyridin-2-yl]piperidin-4-yl}propan-2-ol, SULFATE ION, ZINC ION, ... | | Authors: | Chmait, S, Jordan, S, Zhang, J. | | Deposit date: | 2012-01-18 | | Release date: | 2012-03-21 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Discovery of potent, selective, and metabolically stable 4-(pyridin-3-yl)cinnolines as novel phosphodiesterase 10A (PDE10A) inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
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8H91
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7RZY
 | | CryoEM structure of Vibrio cholerae transposon Tn6677 AAA+ ATPase TnsC | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Tn6677 Vibrio cholerae transposon TnsC (VchTnsC) | | Authors: | Hoffmann, F.T, Kim, M, Beh, L.Y, Wang, J, Vo, P.L.H, Gelsinger, D.R, Acree, C, Mohabir, J.T, Fernandez, I.S, Sternberg, S.H. | | Deposit date: | 2021-08-28 | | Release date: | 2022-06-08 | | Last modified: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Selective TnsC recruitment enhances the fidelity of RNA-guided transposition.
Nature, 609, 2022
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4DEN
 | | Structural insightsinto potent, specific anti-HIV property of actinohivin; Crystal structure of actinohivin in complex with alpha(1-2) mannobiose moiety of high-mannose type glycan of gp120 | | Descriptor: | Actinohivin, POTASSIUM ION, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose | | Authors: | Hoque, M.M, Suzuki, K, Tsunoda, M, Jiang, J, Zhang, F, Takahashi, A, Naomi, O, Zhang, X, Sekiguchi, T, Tanaka, H, Omura, S, Takenaka, A. | | Deposit date: | 2012-01-20 | | Release date: | 2012-11-28 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural insights into the specific anti-HIV property of actinohivin: structure of its complex with the alpha(1–2)mannobiose moiety of gp120
Acta Crystallogr.,Sect.D, 68, 2012
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6F9J
 | | Crystal structure of Barley Beta-Amylase complexed with 4-O-alpha-D-mannopyranosyl-(1-deoxynojirimycin) | | Descriptor: | 1-DEOXYNOJIRIMYCIN, Beta-amylase, CHLORIDE ION, ... | | Authors: | Moncayo, M.A, Rodrigues, L.L, Stevenson, C.E.M, Ruzanski, C, Rejzek, M, Lawson, D.M, Angulo, J, Field, R.A. | | Deposit date: | 2017-12-14 | | Release date: | 2019-01-30 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | Synthesis, biological and structural analysis of prospective glycosyl-iminosugar prodrugs: impact on germination
To be published
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8P1R
 | | Bifidobacterium asteroides alpha-L-fucosidase (TT1819) catalytic mutant. | | Descriptor: | 1,2-ETHANEDIOL, Bifidobacterium asteroides alpha-L-fucosidase (TT1819) catalytic mutant, MAGNESIUM ION | | Authors: | Owen, C.D, Penner, M, Gascuena, A.N, Wu, H, Hernando, P.J, Monaco, S, Le Gall, G, Gardner, R, Ndeh, D, Urbanowicz, P.A, Spencer, D.I.R, Walsh, M.A, Angulo, J, Juge, N. | | Deposit date: | 2023-05-12 | | Release date: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.659 Å) | | Cite: | Exploring sequence, structure and function of microbial fucosidases from glycoside hydrolase GH29 family
To Be Published
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4MSU
 | | Human GKRP bound to AMG-6861 and Sorbitol-6-phosphate | | Descriptor: | 1,1,1,3,3,3-hexafluoro-2-{4-[4-(thiophen-2-ylsulfonyl)piperazin-1-yl]phenyl}propan-2-ol, D-SORBITOL-6-PHOSPHATE, GLYCEROL, ... | | Authors: | Ashton, K.S, Andrews, K.L, Bryan, M.C, Chen, J, Chen, K, Chen, M, Chmait, S, Croghan, M, Cupples, R, Fotsch, C, Helmering, J, Jordan, S.R, Kurzeja, R.J, Michelsen, K, Pennington, L.D, Poon, S.F, Sivits, G, Van, G, Vonderfecht, S.L, Wahl, R.C, Zhang, J, Lloyd, D.J, Hale, C, St Jean, D.J. | | Deposit date: | 2013-09-18 | | Release date: | 2014-03-12 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Small Molecule Disruptors of the Glucokinase-Glucokinase Regulatory Protein Interaction: 1. Discovery of a Novel Tool Compound for in Vivo Proof-of-Concept.
J.Med.Chem., 57, 2014
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4DTR
 | | RB69 DNA Polymerase Ternary Complex with dATP Opposite an Abasic Site and ddC/dG as the Penultimate Base-pair | | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CALCIUM ION, DNA polymerase, ... | | Authors: | Xia, S, Wang, J, Konigsberg, W.H. | | Deposit date: | 2012-02-21 | | Release date: | 2012-06-06 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | Contribution of Partial Charge Interactions and Base Stacking to the Efficiency of Primer Extension at and beyond Abasic Sites in DNA.
Biochemistry, 51, 2012
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4DFY
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5XOW
 | | Crystal structure of T. thermophilus Argonaute protein complexed with a bulge 6'A7' on the target strand | | Descriptor: | DNA (5'-D(P*(TD)P*GP*AP*GP*GP*TP*AP*GP*TP*AP*GP*GP*TP*TP*GP*TP*AP*TP*AP*GP*T)-3'), MAGNESIUM ION, RNA (5'-R(P*UP*AP*CP*AP*AP*CP*CP*UP*AP*CP*UP*AP*AP*CP*CP*UP*CP*G)-3'), ... | | Authors: | Sheng, G, Wang, J, Zhao, H, Wang, Y. | | Deposit date: | 2017-05-31 | | Release date: | 2017-10-04 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.902 Å) | | Cite: | Structure/cleavage-based insights into helical perturbations at bulge sites within T. thermophilus Argonaute silencing complexes
Nucleic Acids Res., 45, 2017
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4DTM
 | | RB69 DNA Polymerase Ternary Complex with dCTP Opposite an Abasic Site and ddG/dC as the Penultimate Base-pair | | Descriptor: | 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, CALCIUM ION, DNA polymerase, ... | | Authors: | Xia, S, Wang, J, Konigsberg, W.H. | | Deposit date: | 2012-02-21 | | Release date: | 2012-06-06 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Contribution of Partial Charge Interactions and Base Stacking to the Efficiency of Primer Extension at and beyond Abasic Sites in DNA.
Biochemistry, 51, 2012
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4DU4
 | | RB69 DNA Polymerase Ternary Complex with dATP Opposite dT with 3-Deaza-adenine at the N-3 Position of Primer Strand | | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CALCIUM ION, DNA polymerase, ... | | Authors: | Xia, S, Wang, J, Konigsberg, W.H. | | Deposit date: | 2012-02-21 | | Release date: | 2012-05-23 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Probing minor groove hydrogen bonding interactions between RB69 DNA polymerase and DNA.
Biochemistry, 51, 2012
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5XPA
 | | Crystal structure of T. thermophilus Argonaute protein complexed with a bulge 9'U10' on the target strand | | Descriptor: | DNA (5'-D(P*TP*GP*AP*GP*GP*TP*AP*GP*TP*AP*GP*GP*TP*TP*GP*TP*AP*TP*AP*GP*T)-3'), MAGNESIUM ION, RNA (5'-R(P*AP*UP*AP*CP*AP*AP*CP*CP*GP*UP*UP*CP*UP*AP*CP*UP*CP*CP*G)-3'), ... | | Authors: | Sheng, G, Gogakos, T, Wang, J, Zhao, H, Serganov, A, Juranek, S, Tuschl, T, Patel, J.D, Wang, Y. | | Deposit date: | 2017-06-01 | | Release date: | 2018-04-18 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structure/cleavage-based insights into helical perturbations at bulge sites within T. thermophilus Argonaute silencing complexes.
Nucleic Acids Res., 45, 2017
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4DTP
 | | RB69 DNA Polymerase Ternary Complex with dGTP Opposite an Abasic Site and ddA/dT as the Penultimate Base-pair | | Descriptor: | 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, CALCIUM ION, DNA polymerase, ... | | Authors: | Xia, S, Wang, J, Konigsberg, W.H. | | Deposit date: | 2012-02-21 | | Release date: | 2012-06-06 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Contribution of Partial Charge Interactions and Base Stacking to the Efficiency of Primer Extension at and beyond Abasic Sites in DNA.
Biochemistry, 51, 2012
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4DU1
 | | RB69 DNA Polymerase Ternary Complex with dATP Opposite dT | | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CALCIUM ION, DNA polymerase, ... | | Authors: | Xia, S, Wang, J, Konigsberg, W.H. | | Deposit date: | 2012-02-21 | | Release date: | 2012-05-23 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Probing minor groove hydrogen bonding interactions between RB69 DNA polymerase and DNA.
Biochemistry, 51, 2012
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4DWQ
 | | RNA ligase RtcB-GMP/Mn(2+) complex | | Descriptor: | GLYCEROL, GUANOSINE-5'-MONOPHOSPHATE, MALONATE ION, ... | | Authors: | Okada, C, Xia, S, Englert, M, Yao, M, Soll, D, Wang, J. | | Deposit date: | 2012-02-26 | | Release date: | 2012-09-05 | | Last modified: | 2017-08-02 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Structural and mechanistic insights into guanylylation of RNA-splicing ligase RtcB joining RNA between 3'-terminal phosphate and 5'-OH.
Proc.Natl.Acad.Sci.USA, 109, 2012
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4DTN
 | | RB69 DNA Polymerase Ternary Complex with dATP Opposite an Abasic Site and ddA/dT as the Penultimate Base-pair | | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CALCIUM ION, DNA polymerase, ... | | Authors: | Xia, S, Wang, J, Konigsberg, W.H. | | Deposit date: | 2012-02-21 | | Release date: | 2012-06-06 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Contribution of Partial Charge Interactions and Base Stacking to the Efficiency of Primer Extension at and beyond Abasic Sites in DNA.
Biochemistry, 51, 2012
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4DTS
 | | RB69 DNA Polymerase Ternary Complex with dCTP Opposite an Abasic Site and ddC/dG as the Penultimate Base-pair | | Descriptor: | 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, CALCIUM ION, DNA polymerase, ... | | Authors: | Xia, S, Wang, J, Konigsberg, W.H. | | Deposit date: | 2012-02-21 | | Release date: | 2012-06-06 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Contribution of Partial Charge Interactions and Base Stacking to the Efficiency of Primer Extension at and beyond Abasic Sites in DNA.
Biochemistry, 51, 2012
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4DTU
 | | RB69 DNA Polymerase Ternary Complex with dGTP Opposite an Abasic Site and ddC/dG as the Penultimate Base-pair | | Descriptor: | 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, CALCIUM ION, DNA polymerase, ... | | Authors: | Xia, S, Wang, J, Konigsberg, W.H. | | Deposit date: | 2012-02-21 | | Release date: | 2012-06-06 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Contribution of Partial Charge Interactions and Base Stacking to the Efficiency of Primer Extension at and beyond Abasic Sites in DNA.
Biochemistry, 51, 2012
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5XOU
 | | Crystal structure of T. thermophilus Argonaute protein complexed with a bulge 7T8 on the guide strand | | Descriptor: | DNA (5'-D(*AP*CP*AP*AP*CP*CP*TP*AP*CP*TP*AP*CP*CP*TP*CP*G)-3'), DNA (5'-D(P*TP*GP*AP*GP*GP*TP*AP*TP*GP*GP*TP*TP*GP*T)-3'), MAGNESIUM ION, ... | | Authors: | Sheng, G, Wang, J, Zhao, H, Wang, Y. | | Deposit date: | 2017-05-31 | | Release date: | 2017-10-04 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.63 Å) | | Cite: | Structure/cleavage-based insights into helical perturbations at bulge sites within T. thermophilus Argonaute silencing complexes
Nucleic Acids Res., 45, 2017
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5XPG
 | | Crystal structure of T. thermophilus Argonaute protein complexed with a bulge 6'U7' on the target strand | | Descriptor: | 5'-D(P*TP*GP*AP*GP*GP*TP*AP*GP*TP*AP*GP*GP*TP*TP*GP*TP*AP*TP*A P*GP*T)-3', 5'-R(*UP*AP*U*AP*CP*AP*AP*CP*CP*UP*AP*CP*AP*UP*AP*CP*CP*UP*CP* G)-3', MAGNESIUM ION, ... | | Authors: | Sheng, G, Gogakos, T, Wang, J, Zhao, H, Serganov, A, Juranek, S, Tuschl, T, Patel, J.D, Wang, Y. | | Deposit date: | 2017-06-02 | | Release date: | 2018-04-18 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure/cleavage-based insights into helical perturbations at bulge sites within T. thermophilus Argonaute silencing complexes.
Nucleic Acids Res., 45, 2017
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5XVC
 | | [NiFe]-hydrogenase (Hyb-type) from Citrobacter sp. S-77 in a ferricyanide-oxidized condition | | Descriptor: | DI(HYDROXYETHYL)ETHER, FE3-S4 CLUSTER, FE4-S4-O CLUSTER, ... | | Authors: | Nishikawa, K, Matsuura, H, Muhd Noor, N.D, Tai, H, Hirota, S, Kim, J, Kang, J, Tateno, M, Yoon, K.S, Ogo, S, Shomura, Y, Higuchi, Y. | | Deposit date: | 2017-06-27 | | Release date: | 2018-06-27 | | Last modified: | 2019-07-10 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Redox-dependent conformational changes of a proximal [4Fe-4S] cluster in Hyb-type [NiFe]-hydrogenase to protect the active site from O2.
Chem.Commun.(Camb.), 54, 2018
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5XVD
 | | [NiFe]-hydrogenase (Hyb-type) from Citrobacter sp. S-77 in an air-oxidized condition | | Descriptor: | FE3-S4 CLUSTER, FE4-S4-O CLUSTER, GLYCEROL, ... | | Authors: | Nishikawa, K, Matsuura, H, Muhd Noor, N.D, Tai, H, Hirota, S, Kim, J, Kang, J, Tateno, M, Yoon, K.S, Ogo, S, Shomura, Y, Higuchi, Y. | | Deposit date: | 2017-06-27 | | Release date: | 2018-06-27 | | Last modified: | 2019-07-10 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | Redox-dependent conformational changes of a proximal [4Fe-4S] cluster in Hyb-type [NiFe]-hydrogenase to protect the active site from O2.
Chem.Commun.(Camb.), 54, 2018
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5XVB
 | | [NiFe]-hydrogenase (Hyb-type) from Citrobacter sp. S-77 in an H2-reduced condition | | Descriptor: | FE3-S4 CLUSTER, GLYCEROL, IRON/SULFUR CLUSTER, ... | | Authors: | Nishikawa, K, Matsuura, H, Muhd Noor, N.D, Tai, H, Hirota, S, Kim, J, Kang, J, Tateno, M, Yoon, K.S, Ogo, S, Shomura, Y, Higuchi, Y. | | Deposit date: | 2017-06-27 | | Release date: | 2018-06-27 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Redox-dependent conformational changes of a proximal [4Fe-4S] cluster in Hyb-type [NiFe]-hydrogenase to protect the active site from O2.
Chem.Commun.(Camb.), 54, 2018
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