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3SOB
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BU of 3sob by Molmil
The structure of the first YWTD beta propeller domain of LRP6 in complex with a FAB
Descriptor: CALCIUM ION, Low-density lipoprotein receptor-related protein 6, antibody heavy chain, ...
Authors:Wang, W, Bourhis, E, Tam, C, Zhang, Y, Rouge, L, Wu, Y, Franke, Y, Cochran, A.G.
Deposit date:2011-06-30
Release date:2011-09-21
Last modified:2014-05-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Wnt antagonists bind through a short peptide to the first beta-propeller domain of LRP5/6.
Structure, 19, 2011
3J8G
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BU of 3j8g by Molmil
Electron cryo-microscopy structure of EngA bound with the 50S ribosomal subunit
Descriptor: 23S rRNA, 50S ribosomal protein L1, 50S ribosomal protein L11, ...
Authors:Zhang, X, Yan, K, Zhang, Y, Li, N, Ma, C, Li, Z, Zhang, Y, Feng, B, Liu, J, Sun, Y, Xu, Y, Lei, J, Gao, N.
Deposit date:2014-10-24
Release date:2014-11-26
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (5 Å)
Cite:Structural insights into the function of a unique tandem GTPase EngA in bacterial ribosome assembly
Nucleic Acids Res., 2014
5YPR
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BU of 5ypr by Molmil
Crystal Structure of PSD-95 SH3-GK domain in complex with a synthesized inhibitor
Descriptor: Disks large homolog 4, Synthesized GK inhibitor
Authors:Zhu, J, Zhou, Q, Shang, Y, Weng, Z, Zhu, R, Zhang, M.
Deposit date:2017-11-02
Release date:2018-03-14
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.349 Å)
Cite:Synaptic Targeting and Function of SAPAPs Mediated by Phosphorylation-Dependent Binding to PSD-95 MAGUKs.
Cell Rep, 21, 2017
4ESX
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BU of 4esx by Molmil
Crystal structure of C. albicans Thi5 complexed with PLP
Descriptor: Pyrimidine biosynthesis enzyme THI13
Authors:Huang, S, Fenwick, M.K, Zhang, Y, Lai, R, Hazra, A, Rajashankar, K, Philmus, B, Kinsland, C, Sanders, J, Begley, T.P, Ealick, S.E.
Deposit date:2012-04-23
Release date:2012-09-19
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Thiamin pyrimidine biosynthesis in Candida albicans : a remarkable reaction between histidine and pyridoxal phosphate.
J.Am.Chem.Soc., 134, 2012
3SOQ
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BU of 3soq by Molmil
The structure of the first YWTD beta propeller domain of LRP6 in complex with a DKK1 peptide
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Dickkopf-related protein 1, ...
Authors:Wang, W, Bourhis, E, Zhang, Y, Rouge, L, Wu, Y, Franke, Y, Cochran, A.G.
Deposit date:2011-06-30
Release date:2011-09-21
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Wnt antagonists bind through a short peptide to the first beta-propeller domain of LRP5/6.
Structure, 19, 2011
3SOV
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BU of 3sov by Molmil
The structure of a beta propeller domain in complex with peptide S
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Low-density lipoprotein receptor-related protein 6, ...
Authors:Wang, W, Bourhis, E, Zhang, Y, Rouge, L, Wu, Y, Franke, Y, Cochran, A.G.
Deposit date:2011-06-30
Release date:2011-09-21
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.27 Å)
Cite:Wnt antagonists bind through a short peptide to the first beta-propeller domain of LRP5/6.
Structure, 19, 2011
4ESW
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BU of 4esw by Molmil
Crystal structure of C. albicans Thi5 H66G mutant
Descriptor: CITRIC ACID, Pyrimidine biosynthesis enzyme THI13
Authors:Fenwick, M.K, Huang, S, Zhang, Y, Lai, R, Hazra, A, Rajashankar, K, Philmus, B, Kinsland, C, Sanders, J, Begley, T.P, Ealick, S.E.
Deposit date:2012-04-23
Release date:2012-09-19
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Thiamin pyrimidine biosynthesis in Candida albicans : a remarkable reaction between histidine and pyridoxal phosphate.
J.Am.Chem.Soc., 134, 2012
7DTY
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BU of 7dty by Molmil
Structural basis of ligand selectivity conferred by the human glucose-dependent insulinotropic polypeptide receptor
Descriptor: CHOLESTEROL, Gastric inhibitory polypeptide, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Zhao, F.H, Zhang, C, Zhou, Q.T, Hang, K.N, Zou, X.Y, Chen, Y, Wu, F, Rao, Q.D, Dai, A.T, Yin, W.C, Shen, D.D, Zhang, Y, Xia, T, Stevens, R.C, Xu, H.E, Yang, D.H, Zhao, L.H, Wang, M.W.
Deposit date:2021-01-06
Release date:2021-08-04
Last modified:2021-08-11
Method:ELECTRON MICROSCOPY (2.98 Å)
Cite:Structural insights into hormone recognition by the human glucose-dependent insulinotropic polypeptide receptor.
Elife, 10, 2021
7SGV
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BU of 7sgv by Molmil
Papain-Like Protease of SARS CoV-2, C111S mutant, in complex with PLP_Snyder630 inhibitor
Descriptor: CHLORIDE ION, N-(naphthalen-1-yl)pyridine-3-carboxamide, Papain-like protease, ...
Authors:Osipiuk, J, Tesar, C, Endres, M, Lisnyak, V, Maki, S, Taylor, C, Zhang, Y, Zhou, Z, Azizi, S.A, Jones, K, Kathayat, R, Snyder, S.A, Dickinson, B.C, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2021-10-07
Release date:2021-10-20
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Papain-Like Protease of SARS CoV-2, C111S mutant, in complex with PLP_Snyder630 inhibitor
To Be Published
7SGU
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BU of 7sgu by Molmil
Papain-Like Protease of SARS CoV-2, C111S mutant, in complex with PLP_Snyder608 inhibitor
Descriptor: 5-amino-N-(naphthalen-1-yl)pyridine-3-carboxamide, CHLORIDE ION, FORMIC ACID, ...
Authors:Osipiuk, J, Tesar, C, Endres, M, Lisnyak, V, Maki, S, Taylor, C, Zhang, Y, Zhou, Z, Azizi, S.A, Jones, K, Kathayat, R, Snyder, S.A, Dickinson, B.C, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2021-10-07
Release date:2021-10-20
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Papain-Like Protease of SARS CoV-2, C111S mutant, in complex with PLP_Snyder608 inhibitor
To Be Published
7SGW
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BU of 7sgw by Molmil
Papain-Like Protease of SARS CoV-2 in complex with PLP_Snyder630 inhibitor
Descriptor: CHLORIDE ION, N-(naphthalen-1-yl)pyridine-3-carboxamide, Non-structural protein 3, ...
Authors:Osipiuk, J, Tesar, C, Endres, M, Lisnyak, V, Maki, S, Taylor, C, Zhang, Y, Zhou, Z, Azizi, S.A, Jones, K, Kathayat, R, Snyder, S.A, Dickinson, B.C, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2021-10-07
Release date:2021-10-20
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Papain-Like Protease of SARS CoV-2 in complex with PLP_Snyder630 inhibitor
To Be Published
7SH6
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BU of 7sh6 by Molmil
Crystal structure of a PET hydrolase mutant from Ideonella Sakaiensis
Descriptor: Poly(ethylene terephthalate) hydrolase, SULFATE ION
Authors:Kim, W, Zhang, Y.
Deposit date:2021-10-08
Release date:2022-04-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:Machine learning-aided engineering of hydrolases for PET depolymerization.
Nature, 604, 2022
1BZL
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BU of 1bzl by Molmil
CRYSTAL STRUCTURE OF TRYPANOSOMA CRUZI TRYPANOTHIONE REDUCTASE IN COMPLEX WITH TRYPANOTHIONE, AND THE STRUCTURE-BASED DISCOVERY OF NEW NATURAL PRODUCT INHIBITORS
Descriptor: BIS(GAMMA-GLUTAMYL-CYSTEINYL-GLYCINYL)SPERMIDINE, FLAVIN-ADENINE DINUCLEOTIDE, TRYPANOTHIONE REDUCTASE (OXIDIZED FORM)
Authors:Bond, C.S, Zhang, Y, Berriman, M, Cunningham, M, Fairlamb, A.H, Hunter, W.N.
Deposit date:1998-11-02
Release date:1999-11-10
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of Trypanosoma cruzi trypanothione reductase in complex with trypanothione, and the structure-based discovery of new natural product inhibitors.
Structure Fold.Des., 7, 1999
8FZR
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BU of 8fzr by Molmil
CryoEM structure of yeast Arginyltransferase 1 (ATE1)
Descriptor: Arg tRNA, Arginyl-tRNA--protein transferase 1, ZINC ION
Authors:Huang, W, Zhang, Y, Taylor, D.J.
Deposit date:2023-01-29
Release date:2023-04-26
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:The structural basis of tRNA recognition by arginyl-tRNA-protein transferase.
Nat Commun, 14, 2023
7AW0
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BU of 7aw0 by Molmil
MerTK kinase domain in complex with purine inhibitor
Descriptor: 2-(cyclopentyloxy)-9-(2,6-difluorobenzyl)-N-methyl-9H-purin-6-amine, Tyrosine-protein kinase Mer
Authors:Schimpl, M, Nissink, J.W.M, Blackett, C, Clarke, M, Disch, J, Goldberg, K, Guilinger, J, Hennessy, E.J, Jetson, R, Ginkunja, D, Hardaker, E, Keefe, A, McCoull, W, McMurray, L, Collingwood, O, Overman, R, Pflug, A, Preston, M, Rawlins, P, Rivers, E, Smith, P, Underwood, E, Truman, C, Warwicker, J, Winter, J, Woodcock, S, Zhang, Y.
Deposit date:2020-11-06
Release date:2021-03-03
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.893 Å)
Cite:Generating Selective Leads for Mer Kinase Inhibitors-Example of a Comprehensive Lead-Generation Strategy.
J.Med.Chem., 64, 2021
7NHE
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BU of 7nhe by Molmil
Crystal structure of Arabidopsis thaliana Pdx1K166R-I333 complex
Descriptor: PHOSPHATE ION, Pyridoxal 5'-phosphate synthase subunit PDX1.3, [(~{E},4~{S})-4-azanyl-3-oxidanylidene-pent-1-enyl] dihydrogen phosphate
Authors:Rodrigues, M.J, Zhang, Y, Bolton, R, Evans, G, Giri, N, Royant, A, Begley, T, Ealick, S.E, Tews, I.
Deposit date:2021-02-10
Release date:2021-12-22
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Trapping and structural characterisation of a covalent intermediate in vitamin B 6 biosynthesis catalysed by the Pdx1 PLP synthase.
Rsc Chem Biol, 3, 2022
7NHF
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BU of 7nhf by Molmil
Crystal structure of Arabidopsis thaliana Pdx1K166R
Descriptor: PHOSPHATE ION, Pyridoxal 5'-phosphate synthase subunit PDX1.3
Authors:Rodrigues, M.J, Zhang, Y, Bolton, R, Evans, G, Giri, N, Royant, A, Begley, T, Ealick, S.E, Tews, I.
Deposit date:2021-02-10
Release date:2021-12-22
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Trapping and structural characterisation of a covalent intermediate in vitamin B 6 biosynthesis catalysed by the Pdx1 PLP synthase.
Rsc Chem Biol, 3, 2022
7N4Z
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BU of 7n4z by Molmil
Complex structure of NOS4 with noscapine
Descriptor: NOS4, SULFATE ION, noscapine
Authors:Kim, W, Zhang, Y.
Deposit date:2021-06-04
Release date:2022-06-29
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Using fungible biosensors to evolve improved alkaloid biosyntheses.
Nat.Chem.Biol., 18, 2022
7N53
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BU of 7n53 by Molmil
Complex structure of PAP4 with papaverine
Descriptor: 1-(3,4-DIMETHOXYBENZYL)-6,7-DIMETHOXYISOQUINOLINE, GLYCEROL, PAP4, ...
Authors:Kim, W, Zhang, Y.
Deposit date:2021-06-04
Release date:2022-06-29
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Using fungible biosensors to evolve improved alkaloid biosyntheses.
Nat.Chem.Biol., 18, 2022
7N54
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BU of 7n54 by Molmil
Complex structure of GLAU4 with glaucine
Descriptor: GLAU4, SULFATE ION, glaucine
Authors:Kim, W, Zhang, Y.
Deposit date:2021-06-04
Release date:2022-06-29
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Using fungible biosensors to evolve improved alkaloid biosyntheses.
Nat.Chem.Biol., 18, 2022
7NTH
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BU of 7nth by Molmil
Structure of TAK1 in complex with compound 54
Descriptor: 2-[[5-[[2-[bis(fluoranyl)methoxy]phenyl]methyl-[(2~{R})-1-(methylamino)-1-oxidanylidene-propan-2-yl]carbamoyl]-1~{H}-imidazol-2-yl]carbonyl]isoindole-5-carboxamide, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Veerman, J.J.N, Bruseker, Y.B, Damen, E, Heijne, E.H, van Bruggen, W, Hekking, K.F.W, Winkel, R, Hupp, C.D, Keefe, A.D, Liu, J, Thomson, H.A, Zhang, Y, Cuozzo, J.W, McRiner, A.J, Mulvihill, M.J, van Rijnsbergen, P, Zech, B, Renzetti, L.M, Babiss, L, Mueller, G.
Deposit date:2021-03-09
Release date:2021-04-07
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Discovery of 2,4-1 H -Imidazole Carboxamides as Potent and Selective TAK1 Inhibitors.
Acs Med.Chem.Lett., 12, 2021
7NTI
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BU of 7nti by Molmil
Structure of TAK1 in complex with compound 22
Descriptor: DIMETHYL SULFOXIDE, GLYCEROL, Mitogen-activated protein kinase 7,TGF-beta-activated kinase 1 and MAP3K7-binding protein 1, ...
Authors:Veerman, J.J.N, Bruseker, Y.B, Damen, E, Heijne, E.H, van Bruggen, W, Hekking, K.F.W, Winkel, R, Hupp, C.D, Keefe, A.D, Liu, J, Thomson, H.A, Zhang, Y, Cuozzo, J.W, McRiner, A.J, Mulvihill, M.J, van Rijnsbergen, P, Zech, B, Renzetti, L.M, Babiss, L, Mueller, G.
Deposit date:2021-03-09
Release date:2021-04-07
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Discovery of 2,4-1 H -Imidazole Carboxamides as Potent and Selective TAK1 Inhibitors.
Acs Med.Chem.Lett., 12, 2021
1XHL
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BU of 1xhl by Molmil
Crystal Structure of putative Tropinone Reductase-II from Caenorhabditis Elegans with Cofactor and Substrate
Descriptor: 8-METHYL-8-AZABICYCLO[3,2,1]OCTAN-3-ONE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Short-chain dehydrogenase/reductase family member (5L265), ...
Authors:Schormann, N, Karpova, E, Zhou, J, Zhang, Y, Symersky, J, Bunzel, R, Huang, W.-Y, Arabshahi, A, Qiu, S, Luan, C.-H, Gray, R, Carson, M, Tsao, J, Luo, M, Johnson, D, Lu, S, Lin, G, Luo, D, Cao, Z, Li, S, McKInstry, A, Shang, Q, Chen, Y.-J, Bray, T, Nagy, L, DeLucas, L, Southeast Collaboratory for Structural Genomics (SECSG)
Deposit date:2004-09-20
Release date:2004-09-28
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal Structure of putative Tropinone Reductase-II from Caenorhabditis Elegans with Cofactor and Substrate
To be Published
8GZG
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BU of 8gzg by Molmil
Cryo-EM structure of Synechocystis sp. PCC 6803 RPitc
Descriptor: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
Authors:Shen, L.Q, You, L.L, Zhang, Y.
Deposit date:2022-09-27
Release date:2023-04-19
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.13 Å)
Cite:Cryo-EM structure of Synechocystis sp. PCC 6803 CTP-bound RPitc
Proc.Natl.Acad.Sci.USA, 2023
8GZH
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BU of 8gzh by Molmil
Cryo-EM structure of Synechocystis sp. PCC 6803 CTP-bound RPitc
Descriptor: CYTIDINE-5'-TRIPHOSPHATE, DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ...
Authors:You, L.L, Shen, L.Q, Zhang, Y.
Deposit date:2022-09-27
Release date:2023-04-19
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (2.96 Å)
Cite:Cryo-EM structure of Synechocystis sp. PCC 6803 CTP-bound RPitc
Proc.Natl.Acad.Sci.USA, 2023

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