7N33
 
 | | SARS-CoV-2 Nsp15 endoribonuclease pre-cleavage state | | Descriptor: | RNA (5'-R(*A)-D(*(UFT))-R(P*A)-3'), Uridylate-specific endoribonuclease | | Authors: | Frazier, M.N, Dillard, L.B, Krahn, J.M, Stanley, R.E. | | Deposit date: | 2021-05-31 | | Release date: | 2021-06-09 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (2.5 Å) | | Cite: | Characterization of SARS2 Nsp15 nuclease activity reveals it's mad about U.
Nucleic Acids Res., 49, 2021
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4AK3
 | | Crystal structure of Human fibrillar procollagen type III C- propeptide trimer | | Descriptor: | CALCIUM ION, COLLAGEN ALPHA-1(III) CHAIN | | Authors: | Bourhis, J.M, Mariano, N, Zhao, Y, Harlos, K, Jones, E.Y, Moali, C, Aghajari, N, Hulmes, D.J.S. | | Deposit date: | 2012-02-21 | | Release date: | 2012-09-12 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Structural Basis of Fibrillar Collagen Trimerization and Related Genetic Disorders.
Nat.Struct.Mol.Biol., 19, 2012
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7MMO
 | | LY-CoV1404 neutralizing antibody against SARS-CoV-2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, LY-CoV1404 Fab heavy chain, LY-CoV1404 Fab light chain, ... | | Authors: | Hendle, J, Pustilnik, A, Sauder, J.M, Coleman, K.A, Boyles, J.S, Dickinson, C.D. | | Deposit date: | 2021-04-30 | | Release date: | 2021-05-12 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.427 Å) | | Cite: | LY-CoV1404 (bebtelovimab) potently neutralizes SARS-CoV-2 variants.
Biorxiv, 2022
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7LJI
 | | Structure of poly(aspartic acid) hydrolase PahZ2 with Gd+3 bound | | Descriptor: | GADOLINIUM ION, Poly(Aspartic acid) hydrolase | | Authors: | Brambley, C.A, Yared, T.J, Gonzalez, M, Jansch, A.L, Wallen, J.R, Weiland, M.H, Miller, J.M. | | Deposit date: | 2021-01-29 | | Release date: | 2021-12-08 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Sphingomonas sp. KT-1 PahZ2 Structure Reveals a Role for Conformational Dynamics in Peptide Bond Hydrolysis.
J.Phys.Chem.B, 125, 2021
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7LJH
 | | Structure of poly(aspartic acid) hydrolase PahZ2 with Zn+2 bound | | Descriptor: | Poly(Aspartic acid) hydrolase, ZINC ION | | Authors: | Brambley, C.A, Yared, T.J, Gonzalez, M, Jansch, A.L, Wallen, J.R, Weiland, M.H, Miller, J.M. | | Deposit date: | 2021-01-29 | | Release date: | 2021-12-08 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Sphingomonas sp. KT-1 PahZ2 Structure Reveals a Role for Conformational Dynamics in Peptide Bond Hydrolysis.
J.Phys.Chem.B, 125, 2021
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7LO9
 | | RNA dodecamer containing a GNA A residue | | Descriptor: | Chains: A,B,C,D | | Authors: | Harp, J.M, Wawrzak, Z, Egli, M. | | Deposit date: | 2021-02-09 | | Release date: | 2021-12-22 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Overcoming GNA/RNA base-pairing limitations using isonucleotides improves the pharmacodynamic activity of ESC+ GalNAc-siRNAs.
Nucleic Acids Res., 49, 2021
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4AE2
 | | Crystal structure of Human fibrillar procollagen type III C- propeptide trimer | | Descriptor: | CALCIUM ION, COLLAGEN ALPHA-1(III) CHAIN, NITRATE ION | | Authors: | Bourhis, J.M, Mariano, N, Zhao, Y, Harlos, K, Jones, E.Y, Moali, C, Aghajari, N, Hulmes, D.J. | | Deposit date: | 2012-01-05 | | Release date: | 2012-09-12 | | Last modified: | 2019-04-03 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Structural Basis of Fibrillar Collagen Trimerization and Related Genetic Disorders.
Nat.Struct.Mol.Biol., 19, 2012
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7MU5
 | | Human DCTPP1 bound to Triptolide | | Descriptor: | MAGNESIUM ION, dCTP pyrophosphatase 1, triptolide | | Authors: | Hauk, G, Berger, J.M. | | Deposit date: | 2021-05-14 | | Release date: | 2022-08-24 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Triptolide sensitizes cancer cells to nucleoside DNA methyltransferase inhibitors through inhibition of DCTPP1 mediated cell-intrinsic resistance
To Be Published
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4D89
 | | Crystal Structure of Human Beta Secretase in Complex with NVP-BXD552, derived from a soaking experiment | | Descriptor: | (3S,4S,5R)-3-(4-amino-3-{[(2R)-3-ethoxy-1,1,1-trifluoropropan-2-yl]oxy}-5-fluorobenzyl)-5-[(3-tert-butylbenzyl)amino]tetrahydro-2H-thiopyran-4-ol 1,1-dioxide, Beta-secretase 1 | | Authors: | Rondeau, J.M, Bourgier, E. | | Deposit date: | 2012-01-10 | | Release date: | 2012-11-21 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Discovery of cyclic sulfone hydroxyethylamines as potent and selective beta-site APP-cleaving enzyme 1 (BACE1) inhibitors: structure based design and in vivo reduction of amyloid beta-peptides
J.Med.Chem., 55, 2012
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4D8F
 | | Chlamydia trachomatis NrdB with a Mn/Fe cofactor (procedure 1 - high Mn) | | Descriptor: | ACETIC ACID, FE (III) ION, MANGANESE (II) ION, ... | | Authors: | Dassama, L.M.K, Boal, A.K, Krebs, C, Rosenzweig, A.C, Bollinger Jr, J.M. | | Deposit date: | 2012-01-10 | | Release date: | 2012-02-15 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Evidence that the beta subunit of Chlamydia trachomatis ribonucleotide reductase is active with the manganese ion of its manganese(IV)/iron(III) cofactor in site 1.
J.Am.Chem.Soc., 134, 2012
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4D85
 | | Crystal Structure of Human Beta Secretase in Complex with NVP-BVI151 | | Descriptor: | (3R,4S,5S)-3-[(3-tert-butylbenzyl)amino]-5-[(4,4,7'-trifluoro-1',2'-dihydrospiro[cyclohexane-1,3'-indol]-5'-yl)methyl]tetrahydro-2H-thiopyran-4-ol 1,1-dioxide, Beta-secretase 1, IODIDE ION | | Authors: | Rondeau, J.M, Bourgier, E. | | Deposit date: | 2012-01-10 | | Release date: | 2012-11-21 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Discovery of cyclic sulfone hydroxyethylamines as potent and selective beta-site APP-cleaving enzyme 1 (BACE1) inhibitors: structure based design and in vivo reduction of amyloid beta-peptides
J.Med.Chem., 55, 2012
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4D88
 | | Crystal Structure of Human Beta Secretase in Complex with NVP-BXQ490 | | Descriptor: | (3S,4S,5R)-3-{4-amino-3-fluoro-5-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]benzyl}-5-[(3-tert-butylbenzyl)amino]tetrahydro-2H-thiopyran-4-ol 1,1-dioxide, Beta-secretase 1 | | Authors: | Rondeau, J.M, Bourgier, E. | | Deposit date: | 2012-01-10 | | Release date: | 2012-11-21 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Discovery of cyclic sulfone hydroxyethylamines as potent and selective beta-site APP-cleaving enzyme 1 (BACE1) inhibitors: structure based design and in vivo reduction of amyloid beta-peptides
J.Med.Chem., 55, 2012
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4D8G
 | | Chlamydia trachomatis NrdB with a Mn/Fe cofactor (procedure 2 - low Mn) | | Descriptor: | FE (III) ION, MANGANESE (II) ION, Ribonucleoside-diphosphate reductase subunit beta | | Authors: | Dassama, L.M.K, Boal, A.K, Krebs, C, Rosenzweig, A.C, Bollinger Jr, J.M. | | Deposit date: | 2012-01-10 | | Release date: | 2012-02-15 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Evidence that the beta subunit of Chlamydia trachomatis ribonucleotide reductase is active with the manganese ion of its manganese(IV)/iron(III) cofactor in site 1.
J.Am.Chem.Soc., 134, 2012
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7ME4
 | | Structure of the extracellular WNT-binding module in Drosophila Ror2/Nrk | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, PALMITOLEIC ACID, Tyrosine-protein kinase transmembrane receptor Ror2 | | Authors: | Mendrola, J.M, Shi, F, Perry, K, Stayrook, S.E, Lemmon, M.A. | | Deposit date: | 2021-04-06 | | Release date: | 2021-10-13 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | ROR and RYK extracellular region structures suggest that receptor tyrosine kinases have distinct WNT-recognition modes.
Cell Rep, 37, 2021
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7ME5
 | | Structure of the extracellular WNT-binding module in Drl-2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Tyrosine-protein kinase transmembrane receptor DRL-2 | | Authors: | Shi, F, Mendrola, J.M, Perry, K, Stayrook, S.E, Lemmon, M.A. | | Deposit date: | 2021-04-06 | | Release date: | 2021-10-13 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | ROR and RYK extracellular region structures suggest that receptor tyrosine kinases have distinct WNT-recognition modes.
Cell Rep, 37, 2021
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7OI3
 | | Cryo-EM structure of the Cetacean morbillivirus nucleoprotein-RNA complex | | Descriptor: | Cetacean morbillivirus nucleoprotein, poly-A 6-mer | | Authors: | Zinzula, L, Beck, F, Klumpe, S, Bohn, S, Pfeifer, G, Bollschweiler, D, Nagy, I, Plitzko, J.M, Baumeister, W. | | Deposit date: | 2021-05-11 | | Release date: | 2021-06-23 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | Cryo-EM structure of the cetacean morbillivirus nucleoprotein-RNA complex.
J.Struct.Biol., 213, 2021
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7NT8
 | | Influenza virus H3N2 nucleoprotein - R416A mutant | | Descriptor: | Glutathione S-transferase class-mu 26 kDa isozyme,Nucleoprotein | | Authors: | Keown, J.R, Knight, M.L, Grimes, J.M, Fodor, E. | | Deposit date: | 2021-03-09 | | Release date: | 2021-07-07 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | Structure of an H3N2 influenza virus nucleoprotein.
Acta Crystallogr.,Sect.F, 77, 2021
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7NHP
 | | Structure of PSII-I (PSII with Psb27, Psb28, and Psb34) | | Descriptor: | 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, 2,3-DIMETHYL-5-(3,7,11,15,19,23,27,31,35-NONAMETHYL-2,6,10,14,18,22,26,30,34-HEXATRIACONTANONAENYL-2,5-CYCLOHEXADIENE-1,4-DIONE-2,3-DIMETHYL-5-SOLANESYL-1,4-BENZOQUINONE, ... | | Authors: | Zabret, J, Bohn, S, Schuller, S.K, Arnolds, O, Chan, A, Tajkhorshid, E, Stoll, R, Engel, B.D, Rudack, T, Schuller, J.M, Nowaczyk, M.M. | | Deposit date: | 2021-02-11 | | Release date: | 2021-05-05 | | Last modified: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (2.72 Å) | | Cite: | Structural insights into photosystem II assembly.
Nat.Plants, 7, 2021
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7NHO
 | | Structure of PSII-M | | Descriptor: | 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, 2,3-DIMETHYL-5-(3,7,11,15,19,23,27,31,35-NONAMETHYL-2,6,10,14,18,22,26,30,34-HEXATRIACONTANONAENYL-2,5-CYCLOHEXADIENE-1,4-DIONE-2,3-DIMETHYL-5-SOLANESYL-1,4-BENZOQUINONE, ... | | Authors: | Zabret, J, Bohn, S, Schuller, S.K, Arnolds, O, Chan, A, Tajkhorshid, E, Stoll, R, Engel, B.D, Rudack, T, Schuller, J.M, Nowaczyk, M.M. | | Deposit date: | 2021-02-11 | | Release date: | 2021-05-05 | | Last modified: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (2.66 Å) | | Cite: | Structural insights into photosystem II assembly.
Nat.Plants, 7, 2021
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7O82
 | | The L-arginine/agmatine antiporter from E. coli at 1.7 A resolution | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Arginine/agmatine antiporter, DECANE, ... | | Authors: | Jeckelmann, J.M, Ilgue, H, Kalbermatter, D, Fotiadis, D. | | Deposit date: | 2021-04-14 | | Release date: | 2021-09-08 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | High-resolution structure of the amino acid transporter AdiC reveals insights into the role of water molecules and networks in oligomerization and substrate binding.
Bmc Biol., 19, 2021
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4D83
 | | Crystal Structure of Human Beta Secretase in Complex with NVP-BUR436, derived from a co-crystallization experiment | | Descriptor: | (3R,4S,5S)-3-[(3-tert-butylbenzyl)amino]-5-{[3-(2,2-difluoroethyl)-1H-indol-5-yl]methyl}tetrahydro-2H-thiopyran-4-ol 1,1-dioxide, Beta-secretase 1 | | Authors: | Rondeau, J.M, Bourgier, E. | | Deposit date: | 2012-01-10 | | Release date: | 2012-11-21 | | Last modified: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Discovery of cyclic sulfone hydroxyethylamines as potent and selective beta-site APP-cleaving enzyme 1 (BACE1) inhibitors: structure based design and in vivo reduction of amyloid beta-peptides
J.Med.Chem., 55, 2012
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4D8C
 | | Crystal Structure of Human Beta Secretase in Complex with NVP-BXD552, derived from a co-crystallization experiment | | Descriptor: | (3S,4S,5R)-3-(4-amino-3-{[(2R)-3-ethoxy-1,1,1-trifluoropropan-2-yl]oxy}-5-fluorobenzyl)-5-[(3-tert-butylbenzyl)amino]tetrahydro-2H-thiopyran-4-ol 1,1-dioxide, Beta-secretase 1, SULFATE ION | | Authors: | Rondeau, J.M, Bourgier, E. | | Deposit date: | 2012-01-10 | | Release date: | 2012-11-21 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Discovery of cyclic sulfone hydroxyethylamines as potent and selective beta-site APP-cleaving enzyme 1 (BACE1) inhibitors: structure based design and in vivo reduction of amyloid beta-peptides
J.Med.Chem., 55, 2012
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5U05
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5CE3
 | | The Yersinia YopO - actin complex with MgADP | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Actin, ... | | Authors: | Lee, W.L, Singaravelu, P, Grimes, J.M, Robinson, R.C. | | Deposit date: | 2015-07-06 | | Release date: | 2016-07-06 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.93 Å) | | Cite: | The Yersinia YopO - actin complex with MgADP
To Be Published
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6FVV
 | | 26S proteasome, s3 state | | Descriptor: | 26S proteasome complex subunit SEM1, 26S proteasome regulatory subunit 4 homolog, 26S proteasome regulatory subunit 6A, ... | | Authors: | Eisele, M.R, Reed, R.G, Rudack, T, Schweitzer, A, Beck, F, Nagy, I, Pfeifer, G, Plitzko, J.M, Baumeister, W, Tomko, R.J, Sakata, E. | | Deposit date: | 2018-03-05 | | Release date: | 2018-08-22 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (5.4 Å) | | Cite: | Expanded Coverage of the 26S Proteasome Conformational Landscape Reveals Mechanisms of Peptidase Gating.
Cell Rep, 24, 2018
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