8A4Q
 
 | | crystal structures of diastereomer (R,S,S)-13b (13b-H) in complex with the SARS-CoV-2 Mpro. | | Descriptor: | 3C-like proteinase nsp5, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Ibrahim, M, Hilgenfeld, R, Zhang, L. | | Deposit date: | 2022-06-13 | | Release date: | 2022-10-12 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Diastereomeric Resolution Yields Highly Potent Inhibitor of SARS-CoV-2 Main Protease.
J.Med.Chem., 65, 2022
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8D0A
 | | Crystal structure of human USP30 in complex with a covalent inhibitor 829 and a Fab | | Descriptor: | Ubiquitin carboxyl-terminal hydrolase 30, ZINC ION, mouse anti-huUSP30 Fab heavy chain, ... | | Authors: | Song, X, Butler, J, Li, C, Zhang, K, Zhang, D, Hao, Y. | | Deposit date: | 2022-05-25 | | Release date: | 2023-02-01 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (3.19 Å) | | Cite: | TBD
To Be Published
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6LCY
 | | Crystal structure of Synaptotagmin-7 C2B in complex with IP6 | | Descriptor: | INOSITOL HEXAKISPHOSPHATE, Synaptotagmin-7 | | Authors: | Zhang, Y, Zhang, X, Rao, F, Wang, C. | | Deposit date: | 2019-11-20 | | Release date: | 2021-03-03 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.301 Å) | | Cite: | 5-IP 7 is a GPCR messenger mediating neural control of synaptotagmin-dependent insulin exocytosis and glucose homeostasis.
Nat Metab, 3, 2021
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1X92
 | | CRYSTAL STRUCTURE OF PSEUDOMONAS AERUGINOSA PHOSPHOHEPTOSE ISOMERASE IN COMPLEX WITH REACTION PRODUCT D-GLYCERO-D-MANNOPYRANOSE-7-PHOSPHATE | | Descriptor: | 7-O-phosphono-D-glycero-alpha-D-manno-heptopyranose, PHOSPHOHEPTOSE ISOMERASE | | Authors: | Walker, J.R, Evdokimova, E, Kudritska, M, Joachimiak, A, Edwards, A, Savchenko, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2004-08-19 | | Release date: | 2004-10-26 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure and function of sedoheptulose-7-phosphate isomerase, a critical enzyme for lipopolysaccharide biosynthesis and a target for antibiotic adjuvants.
J.Biol.Chem., 283, 2008
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7D3U
 | | Structure of Mrp complex from Dietzia sp. DQ12-45-1b | | Descriptor: | Cation antiporter, DODECYL-BETA-D-MALTOSIDE, Monovalent Na+/H+ antiporter subunit A, ... | | Authors: | Li, B, Zhang, K.D, Wu, X.L, Zhang, X.C. | | Deposit date: | 2020-09-21 | | Release date: | 2020-12-09 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Structure of the Dietzia Mrp complex reveals molecular mechanism of this giant bacterial sodium proton pump.
Proc.Natl.Acad.Sci.USA, 117, 2020
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3L1V
 | | Crystal structure of GmhB from E. coli in complex with calcium and phosphate. | | Descriptor: | CALCIUM ION, D,D-heptose 1,7-bisphosphate phosphatase, PHOSPHATE ION, ... | | Authors: | Sugiman-Marangos, S.N, Junop, M.S. | | Deposit date: | 2009-12-14 | | Release date: | 2010-01-05 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.954 Å) | | Cite: | Structural and kinetic characterization of the LPS biosynthetic enzyme D-alpha,beta-D-heptose-1,7-bisphosphate phosphatase (GmhB) from Escherichia coli.
Biochemistry, 49, 2010
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3L1U
 | | Crystal structure of Calcium-bound GmhB from E. coli. | | Descriptor: | CALCIUM ION, D,D-heptose 1,7-bisphosphate phosphatase, ZINC ION | | Authors: | Sugiman-Marangos, S.N, Junop, M.S. | | Deposit date: | 2009-12-14 | | Release date: | 2010-01-05 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structural and kinetic characterization of the LPS biosynthetic enzyme D-alpha,beta-D-heptose-1,7-bisphosphate phosphatase (GmhB) from Escherichia coli.
Biochemistry, 49, 2010
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3F7O
 | | Crystal structure of Cuticle-Degrading Protease from Paecilomyces lilacinus (PL646) | | Descriptor: | (MSU)(ALA)(ALA)(PRO)(VAL), CALCIUM ION, Serine protease | | Authors: | Liang, L, Lou, Z, Meng, Z, Rao, Z, Zhang, K. | | Deposit date: | 2008-11-10 | | Release date: | 2009-11-17 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The crystal structures of two cuticle-degrading proteases from nematophagous fungi and their contribution to infection against nematodes.
Faseb J., 24, 2010
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3F7M
 | | Crystal structure of apo Cuticle-Degrading Protease (ver112) from Verticillium psalliotae | | Descriptor: | Alkaline serine protease ver112 | | Authors: | Liang, L, Lou, Z, Ye, F, Meng, Z, Rao, Z, Zhang, K. | | Deposit date: | 2008-11-09 | | Release date: | 2009-11-17 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | The crystal structures of two cuticle-degrading proteases from nematophagous fungi and their contribution to infection against nematodes.
Faseb J., 24, 2010
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7WKC
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3BJZ
 | | Crystal structure of Pseudomonas aeruginosa phosphoheptose isomerase | | Descriptor: | CHLORIDE ION, Phosphoheptose isomerase, SULFATE ION | | Authors: | Walker, J.R, Evdokimova, E, Kudritska, M, Osipiuk, J, Joachimiak, A, Savchenko, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2007-12-05 | | Release date: | 2007-12-18 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure and Function of Sedoheptulose-7-phosphate Isomerase, a Critical Enzyme for Lipopolysaccharide Biosynthesis and a Target for Antibiotic Adjuvants.
J.Biol.Chem., 283, 2008
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6AZY
 | | Crystal structure of Hsp104 R328M/R757M mutant from Calcarisporiella thermophila | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Heat shock protein Hsp104 | | Authors: | Michalska, K, Bigelow, L, Hatzos-Skintges, C, Jedrzejczak, R, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2017-09-13 | | Release date: | 2018-10-03 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structure of Calcarisporiella thermophila Hsp104 Disaggregase that Antagonizes Diverse Proteotoxic Misfolding Events.
Structure, 27, 2019
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3ESQ
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3ESR
 | | Crystal Structure of D,D-heptose1.7-bisphosphate phosphatase from E. coli in complex with calcium and phosphate | | Descriptor: | CALCIUM ION, D,D-heptose 1,7-bisphosphate phosphatase, PHOSPHATE ION, ... | | Authors: | Sugiman-Marangos, S.N, Junop, M.S. | | Deposit date: | 2008-10-06 | | Release date: | 2008-10-14 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Crystal Structure of D,D-heptose 1.7-bisphosphate phosphatase from E. Coli.
To be Published
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5X9C
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5XV7
 | | SRPK1 in complex with Alectinib | | Descriptor: | 1,2-ETHANEDIOL, 9-ethyl-6,6-dimethyl-8-[4-(morpholin-4-yl)piperidin-1-yl]-11-oxo-6,11-dihydro-5H-benzo[b]carbazole-3-carbonitrile, serine-arginine (SR) protein kinase 1 | | Authors: | Zeng, C, Ngo, J.C.K. | | Deposit date: | 2017-06-26 | | Release date: | 2018-03-14 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.32 Å) | | Cite: | SRPKIN-1: A Covalent SRPK1/2 Inhibitor that Potently Converts VEGF from Pro-angiogenic to Anti-angiogenic Isoform
Cell Chem Biol, 25, 2018
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7T9I
 | | Native human TSH bound to human Thyrotropin receptor in complex with miniGs399 (composite structure) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Glycoprotein hormones alpha chain, ... | | Authors: | Faust, B, Cheng, Y, Manglik, A. | | Deposit date: | 2021-12-19 | | Release date: | 2022-08-03 | | Last modified: | 2022-10-05 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Autoantibody mimicry of hormone action at the thyrotropin receptor.
Nature, 609, 2022
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7T9N
 | | M22 Agonist Autoantibody bound to Human Thyrotropin receptor in complex with miniGs399 (composite structure) | | Descriptor: | (2S)-3-hydroxypropane-1,2-diyl dihexadecanoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Faust, B, Cheng, Y, Manglik, A. | | Deposit date: | 2021-12-19 | | Release date: | 2022-08-03 | | Last modified: | 2022-10-05 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Autoantibody mimicry of hormone action at the thyrotropin receptor.
Nature, 609, 2022
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7T9M
 | | Human Thyrotropin receptor bound by CS-17 Inverse Agonist Fab/Org 274179-0 Antagonist | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CS-17 Heavy Chain, ... | | Authors: | Faust, B, Cheng, Y, Manglik, A. | | Deposit date: | 2021-12-19 | | Release date: | 2022-08-10 | | Last modified: | 2022-10-05 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Autoantibody mimicry of hormone action at the thyrotropin receptor.
Nature, 609, 2022
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7CMZ
 | | Crystal Structure of BRCT7/8 in Complex with the APS Motif of PHF8 | | Descriptor: | DNA topoisomerase 2-binding protein 1, Histone lysine demethylase PHF8, POTASSIUM ION, ... | | Authors: | Che, S.Y, Ma, S, Cao, C, Yao, Z, Shi, L, Yang, N. | | Deposit date: | 2020-07-29 | | Release date: | 2021-03-17 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.695 Å) | | Cite: | PHF8-promoted TOPBP1 demethylation drives ATR activation and preserves genome stability.
Sci Adv, 7, 2021
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7UTZ
 | | Human thyrotropin analog TR1402 bound to human Thyrotropin receptor in complex with miniGs399 (composite structure) | | Descriptor: | (2S)-3-hydroxypropane-1,2-diyl dihexadecanoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, Glycoprotein hormones alpha chain analog TR1402, ... | | Authors: | Faust, B, Cheng, Y, Manglik, A. | | Deposit date: | 2022-04-28 | | Release date: | 2022-08-03 | | Last modified: | 2022-10-05 | | Method: | ELECTRON MICROSCOPY (2.4 Å) | | Cite: | Autoantibody mimicry of hormone action at the thyrotropin receptor.
Nature, 609, 2022
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5Z9T
 | | a new PL6 alginate lyase complex with trisaccharide | | Descriptor: | GLYCEROL, MALONATE ION, SODIUM ION, ... | | Authors: | Liu, W.Z, Lyu, Q.Q, Zhang, K.K, Li, Z.J. | | Deposit date: | 2018-02-05 | | Release date: | 2019-03-27 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural insights into a novel Ca2+-independent PL-6 alginate lyase from Vibrio OU02 identify the possible subsites responsible for product distribution.
Biochim Biophys Acta Gen Subj, 1863, 2019
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6A40
 | | complex structure of Alginate lyase AlyF-OU02 with G4 | | Descriptor: | alginate lyase AlyF-OU02, alpha-L-gulopyranuronic acid-(1-4)-alpha-L-gulopyranuronic acid-(1-4)-alpha-L-gulopyranuronic acid-(1-4)-alpha-L-gulopyranuronic acid | | Authors: | Liu, W.Z, Lyu, Q.Q, Zhang, K.K. | | Deposit date: | 2018-06-18 | | Release date: | 2019-05-01 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural insights into a novel Ca2+-independent PL-6 alginate lyase from Vibrio OU02 identify the possible subsites responsible for product distribution.
Biochim Biophys Acta Gen Subj, 1863, 2019
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7Z0P
 | | SARS-COV2 Main Protease in complex with inhibitor MG-131 | | Descriptor: | (1~{R},2~{S},5~{S})-3-[(2~{S})-2-(~{tert}-butylcarbamoylamino)-3,3-dimethyl-butanoyl]-6,6-dimethyl-~{N}-[(2~{S},3~{R})-4-(methylamino)-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5, SODIUM ION | | Authors: | El Kilani, H, Hilgenfeld, R. | | Deposit date: | 2022-02-23 | | Release date: | 2022-04-27 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.52 Å) | | Cite: | From Repurposing to Redesign: Optimization of Boceprevir to Highly Potent Inhibitors of the SARS-CoV-2 Main Protease.
Molecules, 27, 2022
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7C4A
 | | nicA2 with cofactor FAD | | Descriptor: | Amine oxidase, FLAVIN-ADENINE DINUCLEOTIDE | | Authors: | Xu, P, Zang, K. | | Deposit date: | 2020-05-15 | | Release date: | 2020-06-03 | | Last modified: | 2020-12-16 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Molecular Deceleration Regulates Toxicant Release to Prevent Cell Damage in Pseudomonas putida S16 (DSM 28022).
Mbio, 11, 2020
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