5NMA
| Structure-activity relationship study of vitamin D analogs with oxolane group in their side chain | Descriptor: | (1~{R},3~{S},5~{Z})-5-[(2~{E})-2-[(1~{R},3~{a}~{S},7~{a}~{R})-7~{a}-methyl-1-[(1~{S})-1-[(2~{S},5~{S})-5-(2-oxidanylpropan-2-yl)oxolan-2-yl]ethyl]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol, Nuclear receptor coactivator 1, Vitamin D3 receptor A | Authors: | Rochel, N, Belorusova, A.Y. | Deposit date: | 2017-04-05 | Release date: | 2017-05-24 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure-activity relationship study of vitamin D analogs with oxolane group in their side chain. Eur J Med Chem, 134, 2017
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6ZHA
| Cryo-EM structure of DNA-PK monomer | Descriptor: | DNA, DNA-dependent protein kinase catalytic subunit,DNA-dependent protein kinase catalytic subunit,DNA-dependent protein kinase catalytic subunit,DNA-PKcs, X-ray repair cross-complementing protein 5, ... | Authors: | Chaplin, A.K, Hardwick, S.W, Chirgadze, D.Y, Blundell, T.L. | Deposit date: | 2020-06-21 | Release date: | 2020-10-21 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (3.91 Å) | Cite: | Dimers of DNA-PK create a stage for DNA double-strand break repair. Nat.Struct.Mol.Biol., 28, 2021
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6Q44
| Est3 telomerase subunit in the yeast Hansenula polymorpha | Descriptor: | Uncharacterized protein | Authors: | Mantsyzov, A.B, Mariasina, S.S, Petrova, O.A, Efimov, S.V, Dontsova, O.A, Polshakov, V.I. | Deposit date: | 2018-12-05 | Release date: | 2019-12-25 | Last modified: | 2024-06-19 | Method: | SOLUTION NMR | Cite: | Insights into the structure and function of Est3 from the Hansenula polymorpha telomerase. Sci Rep, 10, 2020
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7BUB
| Cryo-EM structure of Dengue virus serotype 2 complexed with Fab SIgN-3C at pH 6.5 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Dengue virus serotype 2 M protein, ... | Authors: | Zhang, S, Chew, S.V, Lim, X.N, Ng, T.S, Kostyuchenko, V.A, Lok, S.M. | Deposit date: | 2020-04-06 | Release date: | 2020-05-13 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (4.2 Å) | Cite: | A Human Antibody Neutralizes Different Flaviviruses by Using Different Mechanisms. Cell Rep, 31, 2020
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6WBX
| Single-Particle Cryo-EM Structure of Arabinofuranosyltransferase AftD from Mycobacteria, Mutant R1389S Class 1 | Descriptor: | CALCIUM ION, DUF3367 domain-containing protein | Authors: | Tan, Y.Z, Zhang, L, Rodrigues, J, Zheng, R.B, Giacometti, S.I, Rosario, A.L, Kloss, B, Dandey, V.P, Wei, H, Brunton, R, Raczkowski, A.M, Athayde, D, Catalao, M.J, Pimentel, M, Clarke, O.B, Lowary, T.L, Archer, M, Niederweis, M, Potter, C.S, Carragher, B, Mancia, F. | Deposit date: | 2020-03-27 | Release date: | 2020-05-13 | Last modified: | 2020-06-03 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Cryo-EM Structures and Regulation of Arabinofuranosyltransferase AftD from Mycobacteria. Mol.Cell, 78, 2020
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6WE6
| Camphor bound P450cam D251E structure | Descriptor: | CAMPHOR, Camphor 5-monooxygenase, POTASSIUM ION, ... | Authors: | Amaya, J.A, Poulos, T.L, Batabyal, D. | Deposit date: | 2020-04-01 | Release date: | 2020-07-08 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | Proton Relay Network in the Bacterial P450s: CYP101A1 and CYP101D1. Biochemistry, 59, 2020
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8X0Y
| Crystal structure of JM-1A in complex with SARS-CoV-2 RBD | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Heavy chain of JM-1A Fab, ... | Authors: | Mohapatra, A, Chen, X. | Deposit date: | 2023-11-06 | Release date: | 2024-06-05 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | The presence of broadly neutralizing anti-SARS-CoV-2 RBD antibodies elicited by primary series and booster dose of COVID-19 vaccine. Plos Pathog., 20, 2024
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8FYR
| MicroED structure of Proteinase K from oxygen milled lamellae | Descriptor: | CALCIUM ION, NITRATE ION, Proteinase K | Authors: | Martynowycz, M.W, Shiriaeva, A, Clabbers, M.T.B, Nicolas, W.J, Weaver, S.J, Hattne, J, Gonen, T. | Deposit date: | 2023-01-26 | Release date: | 2023-03-08 | Method: | ELECTRON CRYSTALLOGRAPHY (1.5 Å) | Cite: | A robust approach for MicroED sample preparation of lipidic cubic phase embedded membrane protein crystals. Nat Commun, 14, 2023
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6PTI
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6WBY
| Single-Particle Cryo-EM Structure of Arabinofuranosyltransferase AftD from Mycobacteria, Mutant R1389S Class 2 | Descriptor: | CALCIUM ION, DUF3367 domain-containing protein | Authors: | Tan, Y.Z, Zhang, L, Rodrigues, J, Zheng, R.B, Giacometti, S.I, Rosario, A.L, Kloss, B, Dandey, V.P, Wei, H, Brunton, R, Raczkowski, A.M, Athayde, D, Catalao, M.J, Pimentel, M, Clarke, O.B, Lowary, T.L, Archer, M, Niederweis, M, Potter, C.S, Carragher, B, Mancia, F. | Deposit date: | 2020-03-27 | Release date: | 2020-05-13 | Last modified: | 2020-06-03 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Cryo-EM Structures and Regulation of Arabinofuranosyltransferase AftD from Mycobacteria. Mol.Cell, 78, 2020
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8FYQ
| MicroED structure of Proteinase K from argon milled lamellae | Descriptor: | CALCIUM ION, NITRATE ION, Proteinase K | Authors: | Martynowycz, M.W, Shiriaeva, A, Clabbers, M.T.B, Nicolas, W.J, Weaver, S.J, Hattne, J, Gonen, T. | Deposit date: | 2023-01-26 | Release date: | 2023-03-08 | Method: | ELECTRON CRYSTALLOGRAPHY (1.4 Å) | Cite: | A robust approach for MicroED sample preparation of lipidic cubic phase embedded membrane protein crystals. Nat Commun, 14, 2023
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6Z32
| Human cation-independent mannose 6-phosphate/IGF2 receptor domains 7-11 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Cation-independent mannose-6-phosphate receptor, SULFATE ION, ... | Authors: | Bochel, A.J, Williams, C, McCoy, A.J, Hoppe, H, Winter, A.J, Nicholls, R.D, Harlos, K, Jones, Y.E, Berger, I, Hassan, B, Crump, M.P. | Deposit date: | 2020-05-19 | Release date: | 2020-08-19 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.47 Å) | Cite: | Structure of the Human Cation-Independent Mannose 6-Phosphate/IGF2 Receptor Domains 7-11 Uncovers the Mannose 6-Phosphate Binding Site of Domain 9. Structure, 28, 2020
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6WIF
| Class C beta-lactamase from Acinetobacter baumannii in complex with 4-(Ethyl(methyl)carbamoyl)phenyl boronic acid | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-lactamase, ... | Authors: | Chang, C, Maltseva, N, Endres, M, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2020-04-09 | Release date: | 2020-04-22 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | class C beta-lactamase from Acinetobacter baumannii in complex with 4-(Ethyl(methyl)carbamoyl)phenyl boronic acid To Be Published
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6QQX
| Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with inhibitor | Descriptor: | 5-[1-(pyridin-2-ylmethyl)indol-6-yl]-1~{H}-pyrazol-3-amine, SULFATE ION, tRNA (guanine-N(1)-)-methyltransferase | Authors: | Thomas, S.E, Whitehouse, A.J, Coyne, A.G, Abell, C, Mendes, V, Blundell, T.L. | Deposit date: | 2019-02-19 | Release date: | 2020-03-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.69 Å) | Cite: | Fragment-based discovery of a new class of inhibitors targeting mycobacterial tRNA modification. Nucleic Acids Res., 48, 2020
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8FYP
| MicroED structure of Proteinase K from xenon milled lamellae | Descriptor: | CALCIUM ION, NITRATE ION, Proteinase K | Authors: | Martynowycz, M.W, Shiriaeva, A, Clabbers, M.T.B, Nicolas, W.J, Weaver, S.J, Hattne, J, Gonen, T. | Deposit date: | 2023-01-26 | Release date: | 2023-03-08 | Method: | ELECTRON CRYSTALLOGRAPHY (1.45 Å) | Cite: | A robust approach for MicroED sample preparation of lipidic cubic phase embedded membrane protein crystals. Nat Commun, 14, 2023
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6Z4Y
| Crystal structure of Aurora A (STK6) in complex with macrocycle ODS2003208 | Descriptor: | 1,2-ETHANEDIOL, 6-(2-methoxyethoxy)-11-methyl-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one, Aurora kinase A, ... | Authors: | Chaikuad, A, Benderitter, P, Hoflack, J, Denis, A, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2020-05-26 | Release date: | 2020-06-03 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Crystal structure of Aurora A (STK6) in complex with macrocycle ODS2003208 To Be Published
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6QR4
| Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with inhibitor | Descriptor: | 5-azanyl-3-[1-[[(2~{R})-1-methylpiperidin-2-yl]methyl]indol-6-yl]-1~{H}-pyrazole-4-carbonitrile, tRNA (guanine-N(1)-)-methyltransferase | Authors: | Thomas, S.E, Whitehouse, A.J, Coyne, A.G, Abell, C, Mendes, V, Blundell, T.L. | Deposit date: | 2019-02-19 | Release date: | 2019-09-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Development of Inhibitors against Mycobacterium abscessus tRNA (m1G37) Methyltransferase (TrmD) Using Fragment-Based Approaches. J.Med.Chem., 62, 2019
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6QR8
| Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with inhibitor | Descriptor: | 5-azanyl-3-[1-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]indol-6-yl]-1~{H}-pyrazole-4-carbonitrile, tRNA (guanine-N(1)-)-methyltransferase | Authors: | Thomas, S.E, Whitehouse, A.J, Coyne, A.G, Abell, C, Mendes, V, Blundell, T.L. | Deposit date: | 2019-02-19 | Release date: | 2020-03-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Fragment-based discovery of a new class of inhibitors targeting mycobacterial tRNA modification. Nucleic Acids Res., 48, 2020
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6YAM
| Mammalian 48S late-stage translation initiation complex (LS48S+eIF3 IC) with beta-globin mRNA | Descriptor: | 18S ribosomal RNA, 40S ribosomal protein eS1, 40S ribosomal protein eS10, ... | Authors: | Bochler, A, Simonetti, A, Guca, E, Hashem, Y. | Deposit date: | 2020-03-12 | Release date: | 2020-04-08 | Last modified: | 2020-04-22 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Structural Insights into the Mammalian Late-Stage Initiation Complexes. Cell Rep, 31, 2020
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6WHF
| class C beta-lactamase from Escherichia coli in complex with cephalothin | Descriptor: | (2R)-5-[(acetyloxy)methyl]-2-{(1R)-2-oxo-1-[(thiophen-2-ylacetyl)amino]ethyl}-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, 1,2-ETHANEDIOL, Beta-lactamase | Authors: | Chang, C, Maltseva, N, Endres, M, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2020-04-08 | Release date: | 2020-04-22 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | class C beta-lactamase from Escherichia coli in complex with Cephalothin To Be Published
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8FYS
| MicroED structure of Proteinase K from nitrogen milled lamellae | Descriptor: | CALCIUM ION, Proteinase K | Authors: | Martynowycz, M.W, Shiriaeva, A, Clabbers, M.T.B, Nicolas, W.J, Weaver, S.J, Hattne, J, Gonen, T. | Deposit date: | 2023-01-26 | Release date: | 2023-03-08 | Last modified: | 2024-10-09 | Method: | ELECTRON CRYSTALLOGRAPHY (1.8 Å) | Cite: | A robust approach for MicroED sample preparation of lipidic cubic phase embedded membrane protein crystals. Nat Commun, 14, 2023
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8CJK
| Crystal structure of human tryptophan hydroxylase 1 in complex with inhibitor KM-06-098 | Descriptor: | 3-ethyl-8-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-7-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]purine-2,6-dione, FE (III) ION, Tryptophan 5-hydroxylase 1 | Authors: | Schuetz, A, Mallow, K, Nazare, M, Specker, E, Heinemann, U. | Deposit date: | 2023-02-13 | Release date: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.45914972 Å) | Cite: | Structure-Based Design of Xanthine-Imidazopyridines and -Imidazothiazoles as Highly Potent and In Vivo Efficacious Tryptophan Hydroxylase Inhibitors. J.Med.Chem., 66, 2023
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7BML
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6YHS
| Acinetobacter baumannii ribosome-amikacin complex - 50S subunit | Descriptor: | 23S ribosomal RNA, 50S ribosomal protein L13, 50S ribosomal protein L14, ... | Authors: | Nicholson, D, Edwards, T.A, O'Neill, A.J, Ranson, N.A. | Deposit date: | 2020-03-30 | Release date: | 2020-09-16 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Structure of the 70S Ribosome from the Human Pathogen Acinetobacter baumannii in Complex with Clinically Relevant Antibiotics. Structure, 28, 2020
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6WH2
| Structure of the C-terminal BRCT domain of human XRCC1 | Descriptor: | X-ray repair cross complementing protein 1 variant | Authors: | Pourfarjam, Y, Ellenberger, T, Tainer, J.A, Tomkinson, A.E, Kim, I.K. | Deposit date: | 2020-04-07 | Release date: | 2020-12-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.414 Å) | Cite: | An atypical BRCT-BRCT interaction with the XRCC1 scaffold protein compacts human DNA Ligase III alpha within a flexible DNA repair complex. Nucleic Acids Res., 49, 2021
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