9IIL
 
 | | Structure of the complex of erythrose-4-phosphate dehydrogenase from Acinetobacter baumannii with nicotinamide adenine dinucleotide in the presence of poly(ethylene glycol) at 2.20 A resolution | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Viswanathan, V, Kumari, A, Singh, A, Kumar, A, Sharma, P, Chopra, S, Jeyakanthan, J, Sharma, S, Raje, C.I, Singh, T.P. | | Deposit date: | 2024-06-20 | | Release date: | 2024-07-03 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure of the complex of erythrose-4-phosphate dehydrogenase from Acinetobacter baumannii with nicotinamide adenine dinucleotide in the presence of poly(ethylene glycol) at 2.20 A resolution
To Be Published
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9FQ0
 | | Human NatA-NAC-MAP1 80S ribosome complex | | Descriptor: | 28S rRNA, 5.8S rRNA, 60S ribosomal protein L19, ... | | Authors: | Klein, M.A, Wild, K, Sinning, I. | | Deposit date: | 2024-06-14 | | Release date: | 2024-07-03 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (4.67 Å) | | Cite: | Multi-protein assemblies orchestrate enzymatic processing of the nascent chain on the 80S ribosome
To Be Published
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9IK1
 | | Cryo-EM structure of the human P2X3 receptor-compound 26a complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-[2-cyclopropyl-7-[[(1~{R})-1-naphthalen-2-ylethyl]amino]-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperazine-1-carboxamide, ADENOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Kim, S, Kim, G.R, Kim, Y.O, Han, X, Nagel, J, Kim, J, Song, D.I, Muller, C.E, Yoon, M.H, Jin, M.S, Kim, Y.C. | | Deposit date: | 2024-06-26 | | Release date: | 2024-09-04 | | Method: | ELECTRON MICROSCOPY (2.61 Å) | | Cite: | Discovery of Triazolopyrimidine Derivatives as Selective P2X3 Receptor Antagonists Binding to an Unprecedented Allosteric Site as Evidenced by Cryo-Electron Microscopy.
J.Med.Chem., 67, 2024
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9C4G
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9FYB
 | | Structural Insights into the NMN Complex of Nicotinate Nucleotide Adenylyltransferase from Enterococcus faecium via Co-Crystallization Studies | | Descriptor: | BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ... | | Authors: | Pandian, R, Jeje, O.A, Sayed, Y, Achilonu, I.A. | | Deposit date: | 2024-07-03 | | Release date: | 2024-07-17 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Structural Insights into the NMN Complex of Nicotinate Nucleotide Adenylyltransferase from Enterococcus faecium via Co-Crystallization Studies
To be published
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9F6C
 | | Cardiac myosin motor domain in the pre-powerstroke state co-crystallized with the inhibitor aficamten | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Myosin-7, ... | | Authors: | Robert-Paganin, J, Hartman, J.J, Morgan, B.P, Malik, F.I, Houdusse, A. | | Deposit date: | 2024-05-01 | | Release date: | 2024-09-04 | | Last modified: | 2024-09-11 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | Aficamten is a small-molecule cardiac myosin inhibitor designed to treat hypertrophic cardiomyopathy.
Nat Cardiovasc Res, 3, 2024
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6O96
 | | Dot1L bound to the H2BK120 Ubiquitinated nucleosome | | Descriptor: | DNA (146-MER), Histone H2A, Histone H2B 1.1, ... | | Authors: | Valencia-Sanchez, M.I, De Ioannes, P.E, Miao, W, Vasilyev, N, Chen, R, Nudler, E, Armache, J.-P, Armache, K.-J. | | Deposit date: | 2019-03-13 | | Release date: | 2019-04-24 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Structural Basis of Dot1L Stimulation by Histone H2B Lysine 120 Ubiquitination.
Mol.Cell, 74, 2019
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5NL0
 | | Crystal structure of a 197-bp palindromic 601L nucleosome in complex with linker histone H1 | | Descriptor: | DNA (197-MER), Histone H1.0-B, Histone H2A type 1, ... | | Authors: | Garcia-Saez, I, Petosa, C, Dimitrov, S. | | Deposit date: | 2017-04-03 | | Release date: | 2017-05-17 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (5.4 Å) | | Cite: | Structure and Dynamics of a 197 bp Nucleosome in Complex with Linker Histone H1.
Mol. Cell, 66, 2017
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7OO9
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6CI2
 | | Crystal structure of the formyltransferase PseJ from Anoxybacillus kamchatkensis | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, SULFATE ION, formyltransferase PseJ | | Authors: | Reimer, J.M, Jiang, J, Harb, I, Schmeing, T.M. | | Deposit date: | 2018-02-23 | | Release date: | 2018-10-17 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Structural Insight into a Novel Formyltransferase and Evolution to a Nonribosomal Peptide Synthetase Tailoring Domain.
ACS Chem. Biol., 13, 2018
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6CT1
 | | TFE-induced NMR structure of a novel bioactive peptide (PaDBS1R7) derived from a Pyrobaculum aerophilum ribosomal protein (L39e) | | Descriptor: | PaDBS1R7 | | Authors: | Cardoso, M.H, Chan, L.Y, Candido, E.S, Torres, M.T, Oshiro, K.G.N, Silva, I.C, Goncalves, S, Buccini, D.F, Lu, T, Santos, N.C, de la Fuente-Nunez, C, Craik, D.J, Franco, O.L. | | Deposit date: | 2018-03-21 | | Release date: | 2019-09-25 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | An N-capping asparagine-lysine-proline (NKP) motif contributes to a hybrid flexible/stable multifunctional peptide scaffold
Chem Sci, 13, 2022
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6CQF
 | | Crystal structure of HPK1 in complex an inhibitor G1858 | | Descriptor: | Mitogen-activated protein kinase kinase kinase kinase 1, N-{2-(3,3-difluoropyrrolidin-1-yl)-6-[(3R)-pyrrolidin-3-yl]pyrimidin-4-yl}-1-(propan-2-yl)-1H-pyrazolo[4,3-c]pyridin-6-amine | | Authors: | Wu, P, Lehoux, I, Mortara, K, Franke, Y, Chan, B.K, Wang, W. | | Deposit date: | 2018-03-15 | | Release date: | 2018-12-19 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.246 Å) | | Cite: | Hematopoietic Progenitor Kinase-1 Structure in a Domain-Swapped Dimer.
Structure, 27, 2019
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6D0G
 | | 1.78 Angstrom Resolution Crystal Structure of Quercetin 2,3-dioxygenase from Acinetobacter baumannii | | Descriptor: | BROMIDE ION, MANGANESE (II) ION, Pirin family protein | | Authors: | Minasov, G, Shuvalova, L, Brunzelle, J.S, Dubrovska, I, Kiryukhina, O, Endres, M, Anderson, W.F, Satchell, K.J.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2018-04-10 | | Release date: | 2018-04-25 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | 1.78 Angstrom Resolution Crystal Structure of Quercetin 2,3-dioxygenase from Acinetobacter baumannii.
To be Published
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6CR2
 | | Crystal structure of sterol 14-alpha demethylase (CYP51B) from Aspergillus fumigatus in complex with the VNI derivative N-(1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethyl)-4-(5-(2-fluoro-4-(2,2,2-trifluoroethoxy)phenyl)-1,3,4-oxadiazol-2-yl)benzamide | | Descriptor: | 14-alpha sterol demethylase Cyp51B, N-[(1R)-1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethyl]-4-{5-[2-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]-1,3,4-oxadiazol-2-yl}benzamide, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Friggeri, L, Hargrove, T.Y, Wawrzak, Z, Lepesheva, G.I. | | Deposit date: | 2018-03-16 | | Release date: | 2018-06-27 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.38 Å) | | Cite: | Sterol 14 alpha-Demethylase Structure-Based Design of VNI (( R)- N-(1-(2,4-Dichlorophenyl)-2-(1 H-imidazol-1-yl)ethyl)-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide)) Derivatives To Target Fungal Infections: Synthesis, Biological Evaluation, and Crystallographic Analysis.
J. Med. Chem., 61, 2018
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6CMQ
 | | Structure of human SHP2 without N-SH2 domain | | Descriptor: | Tyrosine-protein phosphatase non-receptor type 11 | | Authors: | Padua, R.A.P, Sun, Y, Marko, I, Pitsawong, W, Kern, D. | | Deposit date: | 2018-03-06 | | Release date: | 2018-11-14 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Mechanism of activating mutations and allosteric drug inhibition of the phosphatase SHP2.
Nat Commun, 9, 2018
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4WAA
 | | Crystal structure of Nix LIR-fused human LC3B_2-119 | | Descriptor: | Microtubule-associated proteins 1A/1B light chain 3B | | Authors: | Suzuki, H, Ravichandran, A.C, Dobson, R.C.J, Novak, I, Wakatsuki, S. | | Deposit date: | 2014-08-29 | | Release date: | 2015-09-09 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Phosphorylation of the mitochondrial autophagy receptor Nix enhances its interaction with LC3 proteins.
Sci Rep, 7, 2017
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7P77
 | | SARS-CoV-2 spike protein in complex with sybody#15 and sybody#68 in a 3up conformation | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(5-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Walter, J.D, Hutter, C.A.J, Garaeva, A.A, Scherer, M, Zimmermann, I, Wyss, M, Rheinberger, J, Ruedin, Y, Earp, J.C, Egloff, P, Sorgenfrei, M, Huerlimann, L.M, Gonda, I, Meier, G, Remm, S, Thavarasah, S, Zimmer, G, Slotboom, D.J, Paulino, C, Plattet, P, Seeger, M.A. | | Deposit date: | 2021-07-19 | | Release date: | 2021-08-04 | | Last modified: | 2022-04-20 | | Method: | ELECTRON MICROSCOPY (2.98 Å) | | Cite: | Biparatopic sybodies neutralize SARS-CoV-2 variants of concern and mitigate drug resistance.
Embo Rep., 23, 2022
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6D34
 | | Apo Crystal Structure of TerC, a Terfestatin Biosynthesis Enzyme | | Descriptor: | ISOPROPYL ALCOHOL, TerC | | Authors: | Clinger, J.A, Elshahawi, S.I, Zhang, Y, Hall, R.P, Liu, Y, Thorson, J.S, Phillips Jr, G.N. | | Deposit date: | 2018-04-14 | | Release date: | 2018-06-13 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure and Function of Terfestatin Biosynthesis Enzymes TerB and TerC
To Be Published
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4WBT
 | | Crystal structure of histidinol-phosphate aminotransferase from Sinorhizobium meliloti in complex with pyridoxal-5'-phosphate | | Descriptor: | 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | Authors: | Shabalin, I.G, Bacal, P, Kowalska, A.K, Cooper, D.R, Stead, M, Hammonds, J, Ahmed, M, Hillerich, B.S, Bonanno, J, Seidel, R, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2014-09-03 | | Release date: | 2014-09-24 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal structure of histidinol-phosphate aminotransferase from Sinorhizobium meliloti in complex with pyridoxal-5'-phosphate
to be published
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6CXD
 | | Crystal structure of peptidase B from Yersinia pestis CO92 at 2.75 A resolution | | Descriptor: | Peptidase B, SULFATE ION | | Authors: | Woinska, M, Lipowska, J, Shabalin, I.G, Cymborowski, M, Grimshaw, S, Winsor, J, Shuvalova, L, Satchell, K.J, Joachimiak, A, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2018-04-02 | | Release date: | 2018-04-18 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Structural and biochemical analysis of Bacillus anthracis prephenate dehydrogenase reveals an unusual mode of inhibition by tyrosine via the ACT domain.
Febs J., 287, 2020
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6CSZ
 | | TFE-induced NMR structure of a novel bioactive peptide (PaDBS1R3) derived from a Pyrobaculum aerophilum ribosomal protein (L39e) | | Descriptor: | PaDBS1R3 | | Authors: | Cardoso, M.H, Chan, L.Y, Candido, E.S, Torres, M.T, Oshiro, K.G.N, Silva, I.C, Goncalves, S, Buccini, D.F, Lu, T, Santos, N.C, de la Fuente-Nunez, C, Craik, D.J, Franco, O.L. | | Deposit date: | 2018-03-21 | | Release date: | 2019-09-25 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | An N-capping asparagine-lysine-proline (NKP) motif contributes to a hybrid flexible/stable multifunctional peptide scaffold
Chem Sci, 13, 2022
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6CSK
 | | TFE-induced NMR structure of a novel bioactive peptide (PaDBS1R2) derived from a Pyrobaculum aerophilum ribosomal protein (L39e) | | Descriptor: | PaDBS1R2 | | Authors: | Cardoso, M.H, Chan, L.Y, Candido, E.S, Torres, M.T, Oshiro, K.G.N, Silva, I.C, Goncalves, S, Buccini, D.F, Lu, T, Santos, N.C, de la Fuente-Nunez, C, Craik, D.J, Franco, O.L. | | Deposit date: | 2018-03-20 | | Release date: | 2019-09-25 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | An N-capping asparagine-lysine-proline (NKP) motif contributes to a hybrid flexible/stable multifunctional peptide scaffold
Chem Sci, 13, 2022
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6D7V
 | | Crystal Structure of Rat TRPV6*- in complex with brominated 2-Aminoethoxydiphenyl borate (2-APB-Br) | | Descriptor: | 2-aminoethyl (4-bromophenyl)phenylborinate, CALCIUM ION, Transient receptor potential cation channel subfamily V member 6 | | Authors: | Singh, A.K, Saotome, K, McGoldrick, L.L, Sobolevsky, A.I. | | Deposit date: | 2018-04-25 | | Release date: | 2018-07-18 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (4.3 Å) | | Cite: | Structural bases of TRP channel TRPV6 allosteric modulation by 2-APB.
Nat Commun, 9, 2018
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4V2X
 | | High resolution structure of the full length tri-modular endo-beta-1, 4-glucanase B (Cel5B) from Bacillus halodurans | | Descriptor: | ACETATE ION, CACODYLATE ION, CALCIUM ION, ... | | Authors: | Venditto, I, Santos, H, Ferreira, L.M.A, Sakka, K, Fontes, C.M.G.A, Najmudin, S. | | Deposit date: | 2014-10-15 | | Release date: | 2015-02-25 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Family 46 Carbohydrate-Binding Modules Contribute to the Enzymatic Hydrolysis of Xyloglucan and Beta-1,3-1,4-Glucans Through Distinct Mechanisms.
J.Biol.Chem., 290, 2015
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6D7S
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