3TEL
 
 | | LytR-CPS2A-Psr family protein with bound octaprenyl pyrophosphate lipid and manganese ion | | Descriptor: | (2Z,6Z,10Z,14Z,18Z,22Z,26Z)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaen-1-yl trihydrogen diphosphate, 1,2-ETHANEDIOL, ACETATE ION, ... | | Authors: | Kawai, Y, Marles-Wright, J, Cleverley, R.M, Emmins, R, Ishikawa, S, Kuwano, M, Heinz, N, Khai Bui, N, Hoyland, C.N, Ogasawara, N, Lewis, R.J, Vollmer, W, Daniel, R.A, Errington, J. | | Deposit date: | 2011-08-15 | | Release date: | 2011-10-12 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | A widespread family of bacterial cell wall assembly proteins.
Embo J., 30, 2011
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2IAS
 | | Crystal structure of squid ganglion DFPase W244F mutant | | Descriptor: | CALCIUM ION, Diisopropylfluorophosphatase | | Authors: | Scharff, E.I, Koepke, J, Fritzsch, G, Luecke, C, Rueterjans, H. | | Deposit date: | 2006-09-08 | | Release date: | 2006-09-26 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of diisopropylfluorophosphatase from Loligo vulgaris
Structure, 9, 2001
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2ERF
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7XO2
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4MCH
 | | Crystal structure of uridine phosphorylase from vibrio fischeri es114 complexed with 6-hydroxy-1-naphthoic acid, NYSGRC Target 029520. | | Descriptor: | 6-hydroxynaphthalene-1-carboxylic acid, DIMETHYL SULFOXIDE, SULFATE ION, ... | | Authors: | Malashkevich, V.N, Bhosle, R, Toro, R, Hillerich, B, Gizzi, A, Garforth, S, Kar, A, Chan, M.K, Lafluer, J, Patel, H, Matikainen, B, Chamala, S, Lim, S, Celikgil, A, Villegas, G, Evans, B, Love, J, Fiser, A, Khafizov, K, Seidel, R, Bonanno, J.B, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2013-08-21 | | Release date: | 2013-09-04 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Crystal structure of uridine phosphorylase from vibrio fischeri es114 complexed with 6-hydroxy-1-naphthoic acid, NYSGRC Target 029520.
To be Published
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7XO1
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7XO0
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7XO3
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7XN4
 | | Cryo-EM structure of CopC-CaM-caspase-3 with NAD+ | | Descriptor: | Arginine ADP-riboxanase CopC, Calmodulin-1, Caspase-3, ... | | Authors: | Zhang, K, Peng, T, Tao, X.Y, Tian, M, Li, Y.X, Wang, Z, Ma, S.F, Hu, S.F, Pan, X, Xue, J, Luo, J.W, Wu, Q.L, Fu, Y, Li, S. | | Deposit date: | 2022-04-28 | | Release date: | 2022-12-14 | | Last modified: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (3.35 Å) | | Cite: | Structural insights into caspase ADPR deacylization catalyzed by a bacterial effector and host calmodulin.
Mol.Cell, 82, 2022
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3TEP
 | | LytR-CPS2a-Psr family protein with bound octaprenyl pyrophosphate lipid and magnesium ion | | Descriptor: | (2Z,6Z,10Z,14Z,18Z,22Z,26Z)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaen-1-yl trihydrogen diphosphate, 1,2-ETHANEDIOL, CPS2A, ... | | Authors: | Kawai, Y, Marles-Wright, J, Cleverley, R.M, Emmins, R, Ishikawa, S, Kuwano, M, Heinz, N, Khai Bui, N, Hoyland, C.N, Ogasawara, N, Lewis, R.J, Vollmer, W, Daniel, R.A, Errington, J. | | Deposit date: | 2011-08-15 | | Release date: | 2011-10-12 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | A widespread family of bacterial cell wall assembly proteins.
Embo J., 30, 2011
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6CNQ
 | | MBD2 in complex with methylated DNA | | Descriptor: | DNA (5'-D(*GP*CP*CP*AP*AP*(5CM)P*GP*TP*TP*GP*GP*C)-3'), Methyl-CpG-binding domain protein 2, UNKNOWN ATOM OR ION | | Authors: | Liu, K, Xu, C, Min, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2018-03-08 | | Release date: | 2018-03-28 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.151 Å) | | Cite: | Structural basis for the ability of MBD domains to bind methyl-CG and TG sites in DNA.
J. Biol. Chem., 293, 2018
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6CUS
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7W1S
 | | Crystal structure of SARS-CoV-2 spike receptor-binding domain in complex with neutralizing nanobody Nb-007 | | Descriptor: | Nanobody Nb-007, Spike protein S1 | | Authors: | Yang, J, Lin, S, Sun, H.L, Lu, G.W. | | Deposit date: | 2021-11-20 | | Release date: | 2022-06-29 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.997 Å) | | Cite: | A Potent Neutralizing Nanobody Targeting the Spike Receptor-Binding Domain of SARS-CoV-2 and the Structural Basis of Its Intimate Binding.
Front Immunol, 13, 2022
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6CUP
 | | Ras:SOS:Ras in complex with a small molecule activator | | Descriptor: | FORMIC ACID, GLYCEROL, GTPase HRas, ... | | Authors: | Phan, J, Abbott, J, Fesik, S.W. | | Deposit date: | 2018-03-26 | | Release date: | 2019-02-06 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.833 Å) | | Cite: | Discovery of Quinazolines That Activate SOS1-Mediated Nucleotide Exchange on RAS.
ACS Med Chem Lett, 9, 2018
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7WJ8
 | | Complex structure of AtHPPD-PyQ1 | | Descriptor: | 2-pyren-1-yloxyethyl 2-[1,5-dimethyl-2,4-bis(oxidanylidene)-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-quinazolin-3-yl]ethanoate, 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION | | Authors: | Yang, G.-F, Lin, H.-Y, Dong, J. | | Deposit date: | 2022-01-05 | | Release date: | 2022-09-21 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.805 Å) | | Cite: | Design of an HPPD fluorescent probe and visualization of plant responses to abiotic stress
Adv Agrochem, 2022
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7W2P
 | | Tudor domain of SMN in complex with a small molecule | | Descriptor: | 2-[(4-fluorophenyl)methyl]-2-azatricyclo[7.3.0.0^{3,7}]dodeca-1(9),3(7)-dien-8-imine, MAGNESIUM ION, Survival motor neuron protein, ... | | Authors: | Li, W, Arrowsmith, C.H, Edwards, A.M, Liu, Y, Min, J. | | Deposit date: | 2021-11-24 | | Release date: | 2022-10-05 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | A small molecule antagonist of SMN disrupts the interaction between SMN and RNAP II.
Nat Commun, 13, 2022
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7WJJ
 | | Complex structure of AtHPPD-PyQ2 | | Descriptor: | 2-[1,5-dimethyl-2,4-bis(oxidanylidene)-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-quinazolin-3-yl]-N-(2-pyren-1-yloxyethyl)ethanamide, 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION | | Authors: | Yang, G.-F, Lin, H.-Y, Dong, J. | | Deposit date: | 2022-01-06 | | Release date: | 2022-09-21 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.603 Å) | | Cite: | Design of an HPPD fluorescent probe and visualization of plant responses to abiotic stress
Adv Agrochem, 2022
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6CW4
 | | HADDOCK structure of the Rous sarcoma virus matrix protein (M-domain) in complex with inositol 1,3,5-trisphosphate | | Descriptor: | (1R,2S,3r,4R,5S,6s)-2,4,6-trihydroxycyclohexane-1,3,5-triyl tris[dihydrogen (phosphate)], Matrix protein p19 | | Authors: | Vlach, J, Saad, J.S. | | Deposit date: | 2018-03-29 | | Release date: | 2018-10-24 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structural basis for targeting avian sarcoma virus Gag polyprotein to the plasma membrane for virus assembly.
J. Biol. Chem., 293, 2018
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6CRL
 | | HusA haemophore from Porphyromonas gingivalis | | Descriptor: | hypothetical protein PG_2227 | | Authors: | Gell, D.A, Kwan, A.H, Horne, J, Hugrass, B.M, Collins, D.A.T. | | Deposit date: | 2018-03-19 | | Release date: | 2018-10-10 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Structural properties of a haemophore facilitate targeted elimination of the pathogen Porphyromonas gingivalis.
Nat Commun, 9, 2018
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6CSE
 | | Crystal structure of sodium/alanine symporter AgcS with L-alanine bound | | Descriptor: | ALANINE, Monoclonal antibody FAB heavy chain, Monoclonal antibody FAB light chain, ... | | Authors: | Ma, J, Reyes, F.E, Gonen, T. | | Deposit date: | 2018-03-20 | | Release date: | 2019-01-30 | | Last modified: | 2019-02-20 | | Method: | X-RAY DIFFRACTION (3.24 Å) | | Cite: | Structural basis for substrate binding and specificity of a sodium-alanine symporter AgcS.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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7WJV
 | | Crystal structure of human liver FBPase complexed with an covalent inhibitor | | Descriptor: | 1,2-BENZISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDE, ADENOSINE MONOPHOSPHATE, Fructose-1,6-bisphosphatase 1, ... | | Authors: | Cao, H, Huang, Y, Ren, Y, Wan, J. | | Deposit date: | 2022-01-08 | | Release date: | 2022-07-13 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.724 Å) | | Cite: | N -Acylamino Saccharin as an Emerging Cysteine-Directed Covalent Warhead and Its Application in the Identification of Novel FBPase Inhibitors toward Glucose Reduction.
J.Med.Chem., 65, 2022
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6D2R
 | | HLA-B*57:01 presenting GSFDYSGVHLW | | Descriptor: | Beta-2-microglobulin, GLY-SER-PHE-ASP-TYR-SER-GLY-VAL-HIS-LEU-TRP, HLA class I histocompatibility antigen, ... | | Authors: | Vivian, J.P, Rossjohn, J. | | Deposit date: | 2018-04-13 | | Release date: | 2018-10-03 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | A subset of HLA-I peptides are not genomically templated: Evidence for cis- and trans-spliced peptide ligands.
Sci Immunol, 3, 2018
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7W30
 | | Tudor domain of SMN in complex with a small molecule | | Descriptor: | 1,2-dimethylquinolin-4-imine, Survival motor neuron protein, UNKNOWN ATOM OR ION | | Authors: | Li, W, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Liu, Y, Min, J. | | Deposit date: | 2021-11-24 | | Release date: | 2022-10-05 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | A small molecule antagonist of SMN disrupts the interaction between SMN and RNAP II.
Nat Commun, 13, 2022
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7XNK
 | | human KCNQ1-CaM in complex with ML277 | | Descriptor: | (2R)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-(4-methylbenzene-1-sulfonyl)piperidine-2-carboxamide, Calmodulin-3, POTASSIUM ION, ... | | Authors: | Ma, D, Guo, J. | | Deposit date: | 2022-04-29 | | Release date: | 2022-12-14 | | Last modified: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (2.6 Å) | | Cite: | Structural mechanisms for the activation of human cardiac KCNQ1 channel by electro-mechanical coupling enhancers.
Proc.Natl.Acad.Sci.USA, 119, 2022
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7XNL
 | | human KCNQ1-CaM-ML277-PIP2 complex in state A | | Descriptor: | (2R)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-(4-methylbenzene-1-sulfonyl)piperidine-2-carboxamide, Calmodulin-3, POTASSIUM ION, ... | | Authors: | Ma, D, Guo, J. | | Deposit date: | 2022-04-29 | | Release date: | 2022-12-14 | | Last modified: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structural mechanisms for the activation of human cardiac KCNQ1 channel by electro-mechanical coupling enhancers.
Proc.Natl.Acad.Sci.USA, 119, 2022
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