4UAI
| Crystal structure of CXCL12 in complex with inhibitor | Descriptor: | 1-phenyl-3-[4-(1H-tetrazol-5-yl)phenyl]urea, SULFATE ION, Stromal cell-derived factor 1 | Authors: | Smith, E.W, Chen, Y. | Deposit date: | 2014-08-09 | Release date: | 2014-11-12 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural Analysis of a Novel Small Molecule Ligand Bound to the CXCL12 Chemokine. J.Med.Chem., 57, 2014
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7UZX
| Staphylococcus epidermidis RP62a CRISPR effector subcomplex with non-self target RNA bound | Descriptor: | CRISPR non-self RNA target, CRISPR system Cms endoribonuclease Csm3, CRISPR system Cms protein Csm4, ... | Authors: | Smith, E.M, Ferrell, S.H, Tokars, V.L, Mondragon, A. | Deposit date: | 2022-05-09 | Release date: | 2022-07-06 | Last modified: | 2022-08-17 | Method: | ELECTRON MICROSCOPY (3.49 Å) | Cite: | Structures of an active type III-A CRISPR effector complex. Structure, 30, 2022
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7UZW
| Staphylococcus epidermidis RP62a CRISPR effector subcomplex | Descriptor: | CRISPR system Cms endoribonuclease Csm3, CRISPR system Cms protein Csm4, CRISPR system single-strand-specific deoxyribonuclease Cas10/Csm1 (subtype III-A), ... | Authors: | Smith, E.M, Ferrell, S.H, Tokars, V.L, Mondragon, A. | Deposit date: | 2022-05-09 | Release date: | 2022-07-06 | Last modified: | 2022-08-17 | Method: | ELECTRON MICROSCOPY (3.55 Å) | Cite: | Structures of an active type III-A CRISPR effector complex. Structure, 30, 2022
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7V00
| Staphylococcus epidermidis RP62a CRISPR tall effector complex with bound ATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CRISPR system Cms endoribonuclease Csm3, CRISPR system Cms protein Csm2, ... | Authors: | Smith, E.M, Ferrell, S.H, Tokars, V.L, Mondragon, A. | Deposit date: | 2022-05-09 | Release date: | 2022-07-06 | Last modified: | 2022-08-17 | Method: | ELECTRON MICROSCOPY (3.87 Å) | Cite: | Structures of an active type III-A CRISPR effector complex. Structure, 30, 2022
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7UZZ
| Staphylococcus epidermidis RP62a CRISPR tall effector complex | Descriptor: | CRISPR system Cms endoribonuclease Csm3, CRISPR system Cms protein Csm2, CRISPR system Cms protein Csm4, ... | Authors: | Smith, E.M, Ferrell, S.H, Tokars, V.L, Mondragon, A. | Deposit date: | 2022-05-09 | Release date: | 2022-07-06 | Last modified: | 2022-08-17 | Method: | ELECTRON MICROSCOPY (4.45 Å) | Cite: | Structures of an active type III-A CRISPR effector complex. Structure, 30, 2022
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7UZY
| Staphylococcus epidermidis RP62A CRISPR effector complex with non-self target RNA 2 | Descriptor: | CRISPR system Cms endoribonuclease Csm3, CRISPR system Cms protein Csm2, CRISPR system Cms protein Csm4, ... | Authors: | Smith, E.M, Ferrell, S.H, Tokars, V.L, Mondragon, A. | Deposit date: | 2022-05-09 | Release date: | 2022-07-06 | Last modified: | 2022-08-17 | Method: | ELECTRON MICROSCOPY (4.05 Å) | Cite: | Structures of an active type III-A CRISPR effector complex. Structure, 30, 2022
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7V02
| Staphylococcus epidermidis RP62A CRISPR short effector complex | Descriptor: | CRISPR system Cms endoribonuclease Csm3, CRISPR system Cms protein Csm2, CRISPR system Cms protein Csm4, ... | Authors: | Smith, E.M, Ferrell, S.H, Tokars, V.L, Mondragon, A. | Deposit date: | 2022-05-09 | Release date: | 2022-07-06 | Last modified: | 2022-08-17 | Method: | ELECTRON MICROSCOPY (4.97 Å) | Cite: | Structures of an active type III-A CRISPR effector complex. Structure, 30, 2022
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7V01
| Staphylococcus epidermidis RP62a CRISPR short effector complex with self RNA target and ATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CRISPR system Cms endoribonuclease Csm3, CRISPR system Cms protein Csm2, ... | Authors: | Smith, E.M, Ferrell, S.H, Tokars, V.L, Mondragon, A. | Deposit date: | 2022-05-09 | Release date: | 2022-07-06 | Last modified: | 2022-08-17 | Method: | ELECTRON MICROSCOPY (3.67 Å) | Cite: | Structures of an active type III-A CRISPR effector complex. Structure, 30, 2022
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5DEP
| Structure of Pseudomonas aeruginosa LpxA in complex with UDP-GlcNAc | Descriptor: | Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase, PHOSPHATE ION, URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE | Authors: | Smith, E.W, Chen, Y. | Deposit date: | 2015-08-25 | Release date: | 2015-09-16 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | Structures of Pseudomonas aeruginosa LpxA Reveal the Basis for Its Substrate Selectivity. Biochemistry, 54, 2015
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5DG3
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5DEM
| Structure of Pseudomonas aeruginosa LpxA | Descriptor: | Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase, PHOSPHATE ION | Authors: | Smith, E.W, Chen, Y. | Deposit date: | 2015-08-25 | Release date: | 2015-09-16 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Structures of Pseudomonas aeruginosa LpxA Reveal the Basis for Its Substrate Selectivity. Biochemistry, 54, 2015
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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: | 2023-11-08 | 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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5N0G
| Crystal Structure of CobH T85A (precorrin-8x methyl mutase) complexed with C5 allyl-HBA | Descriptor: | 3-[(1~{R},2~{S},3~{S},4~{Z},7~{S},8~{S},9~{Z},15~{R},17~{R},18~{R},19~{R})-2,7,18-tris(2-hydroxy-2-oxoethyl)-3,13,17-tris(3-hydroxy-3-oxopropyl)-1,2,7,12,12,15,17-heptamethyl-5-prop-2-enyl-3,8,15,18,19,21-hexahydrocorrin-8-yl]propanoic acid, GLYCEROL, Precorrin-8X methylmutase | Authors: | Nemoto-Smith, E.H, Lawrence, A.D, Brown, D.G, Warren, M.J. | Deposit date: | 2017-02-02 | Release date: | 2018-02-14 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Novel cobalamin analogues and their application in the trafficking of cobalamin in bacteria, worms and plants To Be Published
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5I2X
| Crystal Structure of TPP1 K170del | Descriptor: | Adrenocortical dysplasia protein homolog | Authors: | Nandakumar, J, Smith, E. | Deposit date: | 2016-02-09 | Release date: | 2016-11-09 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural and functional consequences of a disease mutation in the telomere protein TPP1. Proc.Natl.Acad.Sci.USA, 113, 2016
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8FEC
| Structure of J-PKAc chimera complexed with Aplithianine derivative | Descriptor: | 6-[(6P)-6-(4-bromo-1-methyl-1H-imidazol-5-yl)-2,3-dihydro-4H-1,4-thiazin-4-yl]-7H-purine, 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: | 2022-12-06 | Release date: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structures of J-PKAc chimera complexed with Aplithianine and derivatives To Be Published
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8FE2
| Structure of J-PKAc chimera complexed with Aplithianine A | Descriptor: | 6-[(6M)-6-(1-methyl-1H-imidazol-5-yl)-2,3-dihydro-4H-1,4-thiazin-4-yl]-9H-purine, DnaJ homolog subfamily B member 1, cAMP-dependent protein kinase catalytic subunit alpha, ... | Authors: | Du, L, Wilson, B.A.P, Li, N, Dalilian, M, Wang, D, Martinez Fiesco, J.A, Smith, E.A, Wamiru, A, Goncharova, E.I, Zhang, P, O'Keefe, B.R. | Deposit date: | 2022-12-05 | Release date: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Structures of J-PKAc chimera complexed with Aplithianine and derivatives To Be Published
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7UUW
| Cryogenic electron microscopy 3D map of F-actin bound by the Actin Binding Domain of alpha-catenin ortholog, HMP1 | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ... | Authors: | Rangarajan, E.S, Smith, E.W, Izard, T. | Deposit date: | 2022-04-29 | Release date: | 2023-01-18 | Last modified: | 2023-01-25 | Method: | ELECTRON MICROSCOPY (3.36 Å) | Cite: | The nematode alpha-catenin ortholog, HMP1, has an extended alpha-helix when bound to actin filaments. J.Biol.Chem., 299, 2022
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7UTJ
| Cryogenic electron microscopy 3D map of F-actin bound by human dimeric alpha-catenin | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ... | Authors: | Rangarajan, E.S, Smith, E.W, Izard, T. | Deposit date: | 2022-04-27 | Release date: | 2023-03-08 | Last modified: | 2023-03-29 | Method: | ELECTRON MICROSCOPY (2.77 Å) | Cite: | Distinct inter-domain interactions of dimeric versus monomeric alpha-catenin link cell junctions to filaments. Commun Biol, 6, 2023
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7UXF
| Cryogenic electron microscopy 3D map of F-actin | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ... | Authors: | Rangarajan, E.S, Smith, E.W, Izard, T. | Deposit date: | 2022-05-05 | Release date: | 2023-03-08 | Last modified: | 2023-03-29 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Distinct inter-domain interactions of dimeric versus monomeric alpha-catenin link cell junctions to filaments. Commun Biol, 6, 2023
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5I2Y
| Crystal Structure of TPP1 K170A | Descriptor: | Adrenocortical dysplasia protein homolog | Authors: | Nandakumar, J, Smith, E.M. | Deposit date: | 2016-02-09 | Release date: | 2016-11-09 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural and functional consequences of a disease mutation in the telomere protein TPP1. Proc.Natl.Acad.Sci.USA, 113, 2016
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1T9P
| Crystal Structure of V44A, G45P Cp Rubredoxin | Descriptor: | FE (III) ION, Rubredoxin | Authors: | Park, I.Y, Eidsness, M.K, Lin, I.J, Gebel, E.B, Youn, B, Harley, J.L, Machonkin, T.E, Frederick, R.O, Markley, J.L, Smith, E.T, Ichiye, T, Kang, C. | Deposit date: | 2004-05-18 | Release date: | 2004-10-05 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystallographic studies of V44 mutants of Clostridium pasteurianum rubredoxin: Effects of side-chain size on reduction potential. Proteins, 57, 2004
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1T9O
| Crystal Structure of V44G Cp Rubredoxin | Descriptor: | FE (III) ION, Rubredoxin | Authors: | Park, I.Y, Eidsness, M.K, Lin, I.J, Gebel, E.B, Youn, B, Harley, J.L, Machonkin, T.E, Frederick, R.O, Markley, J.L, Smith, E.T, Ichiye, T, Kang, C. | Deposit date: | 2004-05-18 | Release date: | 2004-10-05 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystallographic studies of V44 mutants of Clostridium pasteurianum rubredoxin: Effects of side-chain size on reduction potential. Proteins, 57, 2004
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1T9Q
| Crystal Structure of V44L Cp Rubredoxin | Descriptor: | FE (III) ION, Rubredoxin | Authors: | Park, I.Y, Eidsness, M.K, Lin, I.J, Gebel, E.B, Youn, B, Harley, J.L, Machonkin, T.E, Frederick, R.O, Markley, J.L, Smith, E.T, Ichiye, T, Kang, C. | Deposit date: | 2004-05-18 | Release date: | 2004-10-05 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystallographic studies of V44 mutants of Clostridium pasteurianum rubredoxin: Effects of side-chain size on reduction potential. Proteins, 57, 2004
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5EKI
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3UUO
| The discovery of potent, selectivity, and orally bioavailable pyrozoloquinolines as PDE10 inhibitors for the treatment of Schizophrenia | Descriptor: | 6-methoxy-3,8-dimethyl-4-(piperazin-1-yl)-1H-pyrazolo[3,4-b]quinoline, MAGNESIUM ION, PHOSPHATE ION, ... | Authors: | Ho, G.D, Yang, S, Smotryski, J, Bercovici, A, Nechuta, T, Smith, E.M, McElroy, W, Tan, Z, Tulshian, D, Mckittrick, B, Greenlee, W.J, Hruza, A, Xiao, L, Rindgen, D, Guzzi, M, Zhang, X, Bleickardt, C, Mullins, D, Hodgson, R. | Deposit date: | 2011-11-28 | Release date: | 2012-01-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | The discovery of potent, selective, and orally active pyrazoloquinolines as PDE10A inhibitors for the treatment of Schizophrenia. Bioorg.Med.Chem.Lett., 22, 2012
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