5Y2J
 
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9AUY
 | | Crystal structure of S. aureus GuaB dCBS with inhibitor GNE9123 | | Descriptor: | INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase, N-(6-chloropyridin-3-yl)-N~2~-(1,4-dihydro-2H-pyrano[3,4-c]quinolin-9-yl)-L-alaninamide | | Authors: | Harris, S.F, Wu, P. | | Deposit date: | 2024-03-01 | | Release date: | 2025-01-15 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Discovery of GuaB inhibitors with efficacy against Acinetobacter baumannii infection.
Mbio, 15, 2024
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6XWY
 | | Highly pH-resistant long stokes-shift, red fluorescent protein mCRISPRed | | Descriptor: | 1,2-ETHANEDIOL, MALONIC ACID, Red fluorescent protein eqFP611 | | Authors: | Erdogan, M, Fabritius, A, Basquin, J, Griesbeck, O. | | Deposit date: | 2020-01-24 | | Release date: | 2020-02-05 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Targeted In Situ Protein Diversification and Intra-organelle Validation in Mammalian Cells.
Cell Chem Biol, 27, 2020
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6P80
 | | Structure of E. coli MS115-1 CdnC + ATP | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, ... | | Authors: | Ye, Q, Azimi, C.S, Corbett, K.D. | | Deposit date: | 2019-06-06 | | Release date: | 2019-12-25 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | HORMA Domain Proteins and a Trip13-like ATPase Regulate Bacterial cGAS-like Enzymes to Mediate Bacteriophage Immunity.
Mol.Cell, 77, 2020
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8V95
 | | GII.8 Amsterdam norovirus protruding domain | | Descriptor: | 1,2-ETHANEDIOL, Capsid protein (Fragment) | | Authors: | Kher, G, Prewitt, A, Pancera, M, Hansman, G. | | Deposit date: | 2023-12-07 | | Release date: | 2024-06-19 | | Last modified: | 2024-07-31 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Development of a broad-spectrum therapeutic Fc-nanobody for human noroviruses.
J.Virol., 98, 2024
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9AVE
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8HZD
 | | A new fluorescent RNA aptamer bound with N618 | | Descriptor: | 4-[(~{E})-2-[(4~{Z})-4-[[3,5-bis(fluoranyl)-4-oxidanyl-phenyl]methylidene]-1-methyl-5-oxidanylidene-imidazol-2-yl]ethenyl]benzenecarbonitrile, MAGNESIUM ION, RNA (36-MER) | | Authors: | Song, Q.Q, Ren, A.M. | | Deposit date: | 2023-01-09 | | Release date: | 2024-06-19 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Structural basis of a small monomeric Clivia fluorogenic RNA with a large Stokes shift.
Nat.Chem.Biol., 20, 2024
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9QAT
 | | Human angiotensin-1 converting enzyme N-domain in complex with quinaprilat | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Gregory, K.S, Acharya, K.R. | | Deposit date: | 2025-02-28 | | Release date: | 2025-09-03 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Molecular basis of domain-specific angiotensin I-converting enzyme inhibition by the antihypertensive drugs enalaprilat, ramiprilat, trandolaprilat, quinaprilat and perindoprilat.
Febs J., 2025
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6N01
 | | Structure of apo AztD from Citrobacter koseri | | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, AztD Protein, ... | | Authors: | Yukl, E.T, Neupane, D.P. | | Deposit date: | 2018-11-06 | | Release date: | 2019-09-18 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Crystal structures of AztD provide mechanistic insights into direct zinc transfer between proteins.
Commun Biol, 2, 2019
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8CUR
 | | Crystal structure of Cdk2 in complex with Cyclin A inhibitor 6-[(E)-2-(4-chlorophenyl)ethenyl]-2-{[(2R)-3-(4-hydroxyphenyl)-1-methoxy-1-oxopropan-2-yl]carbamoyl}quinoline-4-carboxylic acid | | Descriptor: | 6-[(E)-2-(4-chlorophenyl)ethenyl]-2-{[(2R)-3-(4-hydroxyphenyl)-1-methoxy-1-oxopropan-2-yl]carbamoyl}quinoline-4-carboxylic acid, Cyclin-dependent kinase 2 | | Authors: | Tripathi, S.M, Tambo, C.S, Kiss, G, Rubin, S.M. | | Deposit date: | 2022-05-17 | | Release date: | 2023-04-05 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Biolayer Interferometry Assay for Cyclin-Dependent Kinase-Cyclin Association Reveals Diverse Effects of Cdk2 Inhibitors on Cyclin Binding Kinetics.
Acs Chem.Biol., 18, 2023
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6DN3
 | | CRYSTAL STRUCTURE OF THE FMN RIBOSWITCH BOUND TO BRX1555 SPLIT RNA | | Descriptor: | 7,8-dimethyl-2,4-dioxo-10-(3-phenylpropyl)-1,2,3,4-tetrahydrobenzo[g]pteridin-10-ium, CHLORIDE ION, MAGNESIUM ION, ... | | Authors: | Vicens, Q, Mondragon, E, Reyes, F.E, Berman, J, Kaur, H, Kells, K, Wickens, P, Wilson, J, Gadwood, R, Schostarez, H, Suto, R.K, Coish, P, Blount, K.F, Batey, R.T. | | Deposit date: | 2018-06-05 | | Release date: | 2018-09-05 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure-Activity Relationship of Flavin Analogues That Target the Flavin Mononucleotide Riboswitch.
ACS Chem. Biol., 13, 2018
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6NCN
 | | Fragment-based Discovery of an apoE4 Stabilizer | | Descriptor: | 1-(3-chlorophenyl)cyclobutane-1-carboximidamide, Apolipoprotein E | | Authors: | Jakob, C.G, Qiu, W. | | Deposit date: | 2018-12-11 | | Release date: | 2019-04-17 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Fragment-Based Discovery of an Apolipoprotein E4 (apoE4) Stabilizer.
J.Med.Chem., 62, 2019
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5MWE
 | | Complex between the Leucine Zipper (LZ, residues 490-567) and Centrosomin-motif 2 (CM2) domains of Drosophila melanogaster Centrosomin (Cnn) | | Descriptor: | 1,2-ETHANEDIOL, 3,3',3''-phosphanetriyltripropanoic acid, Centrosomin, ... | | Authors: | Feng, Z, Johnson, S, Raff, J.W, Lea, S.M. | | Deposit date: | 2017-01-18 | | Release date: | 2017-06-28 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Structural Basis for Mitotic Centrosome Assembly in Flies.
Cell, 169, 2017
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6VV7
 | | Mycobacterium tuberculosis dihydrofolate reductase in complex with JEB136 | | Descriptor: | 5-[3-(5-methyl-1H-indol-3-yl)propoxy]-1-phenyl-1H-pyrazole-4-carboxylic acid, COBALT (II) ION, Dihydrofolate reductase, ... | | Authors: | Ribeiro, J.A, Dias, M.V.B, Chavez-Pacheco, S.M. | | Deposit date: | 2020-02-17 | | Release date: | 2020-07-15 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.999 Å) | | Cite: | Using a Fragment-Based Approach to Identify Alternative Chemical Scaffolds Targeting Dihydrofolate Reductase fromMycobacterium tuberculosis.
Acs Infect Dis., 6, 2020
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6SA8
 | | ring-like DARPin-Armadillo fusion H83_D01 | | Descriptor: | 1,2-ETHANEDIOL, LYS-ARG-LYS-ARG-LYS-ARG-LYS-ARG-LYS-ARG, ring-like DARPin-Armadillo fusion H83_D01 | | Authors: | Ernst, P, Honegger, A, van der Valk, F, Ewald, C, Mittl, P.R.E, Plucktun, A. | | Deposit date: | 2019-07-16 | | Release date: | 2019-11-20 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Rigid fusions of designed helical repeat binding proteins efficiently protect a binding surface from crystal contacts.
Sci Rep, 9, 2019
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7M8U
 | | Crystal Structure of HLA-B*35:01 in complex with IPFAMQMAY, an 9-mer epitope from SARS-CoV-2 spike (S896-904) | | Descriptor: | Beta-2-microglobulin, HLA class I histocompatibility antigen B, alpha chain, ... | | Authors: | Gras, S, Nguyen, A.T, Szeto, C. | | Deposit date: | 2021-03-30 | | Release date: | 2021-06-23 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | SARS-CoV-2 Spike-Derived Peptides Presented by HLA Molecules
Biophysica, 1, 2021
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6VV8
 | | Mycobacterium tuberculosis dihydrofolate reductase in complex with JEB285 | | Descriptor: | 5-{[3-(1H-indol-3-yl)propanoyl]amino}-1-phenyl-1H-pyrazole-4-carboxylic acid, COBALT (II) ION, Dihydrofolate reductase, ... | | Authors: | Ribeiro, J.A, Chavez-Pacheco, S.M, Dias, M.V.B. | | Deposit date: | 2020-02-17 | | Release date: | 2020-07-15 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.683 Å) | | Cite: | Using a Fragment-Based Approach to Identify Alternative Chemical Scaffolds Targeting Dihydrofolate Reductase fromMycobacterium tuberculosis.
Acs Infect Dis., 6, 2020
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8JQH
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8VLC
 | | Crystal structure of Zn-dependent hydrolase from Salmonella typhimurium LT2 | | Descriptor: | 1,2-ETHANEDIOL, HARLDQ motif MBL-fold protein, SULFATE ION | | Authors: | Chang, C, Maltseva, N, Endres, M, Joachimiak, A, Center for Structural Biology of Infectious Diseases, Center for Structural Biology of Infectious Diseases (CSBID) | | Deposit date: | 2024-01-11 | | Release date: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of Zn-dependent hydrolase from Salmonella typhimurium LT2
To Be Published
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6VV9
 | | Mycobacterium tuberculosis dihydrofolate reductase in complex with JEB300 | | Descriptor: | 5-[4-(1H-indol-3-yl)butoxy]-1-phenyl-1H-pyrazole-4-carboxylic acid, COBALT (II) ION, Dihydrofolate reductase, ... | | Authors: | Ribeiro, J.A, Chavez-Pacheco, S.M, Dias, M.V.B. | | Deposit date: | 2020-02-17 | | Release date: | 2020-07-15 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Using a Fragment-Based Approach to Identify Alternative Chemical Scaffolds Targeting Dihydrofolate Reductase fromMycobacterium tuberculosis.
Acs Infect Dis., 6, 2020
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8OFR
 | | Human adenovirus type 25 fiber-knob protein complexed with sialic acid | | Descriptor: | Fiber, N-acetyl-beta-neuraminic acid | | Authors: | Rizkallah, P.J, Parker, A.L, Mundy, R.M, Baker, A.T. | | Deposit date: | 2023-03-16 | | Release date: | 2023-09-20 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | Broad sialic acid usage amongst species D human adenovirus.
Npj Viruses, 1, 2023
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7O4D
 | | QR2 inhibitor from a novel sulfanamide series to tackle age related oxidative stress and cognitive decline | | Descriptor: | 8-methyl-2-(4-methyl-3-piperazin-1-ylsulfonyl-phenyl)imidazo[1,2-a]pyridine, FLAVIN-ADENINE DINUCLEOTIDE, Ribosyldihydronicotinamide dehydrogenase [quinone], ... | | Authors: | Gould, N.L, Scherer, G.R, Carvalh, S, Shurrush, K, Edry, E, Elkobi, A, David, O, Dym, O, Albeck, S, Peleg, Y, Germain, N, Babaev, I, Sharir, H, Lefker, B, Subramanyam, C, Barr, H, Rosenblum, K. | | Deposit date: | 2021-04-06 | | Release date: | 2022-08-17 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.249 Å) | | Cite: | Specific quinone reductase 2 inhibitors reduce metabolic burden and reverse Alzheimer's disease phenotype in mice.
J.Clin.Invest., 133, 2023
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8OFS
 | | Human adenovirus type 30 fiber-knob protein complexed with sialic acid | | Descriptor: | Fiber, N-acetyl-beta-neuraminic acid | | Authors: | Rizkallah, P.J, Parker, A.L, Mundy, R.M, Baker, A.T. | | Deposit date: | 2023-03-16 | | Release date: | 2023-09-20 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.56 Å) | | Cite: | Broad sialic acid usage amongst species D human adenovirus.
Npj Viruses, 1, 2023
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6VS8
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8SSW
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