8D79
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![BU of 8d79 by Molmil](/molmil-images/mine/8d79) | Crystal structure of a four-tetrad, parallel, and Na+ stabilized Tetrahymena thermophila telomeric G-quadruplex in complex with N-methyl mesoporphyrin IX | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, DNA (5'-D(*TP*GP*GP*GP*GP*TP*TP*GP*GP*GP*GP*TP*TP*GP*GP*GP*GP*TP*TP*GP*GP*GP*GP*T)-3'), N-METHYLMESOPORPHYRIN, ... | Authors: | Chen, E.V, Beseiso, D, Yatsunyk, L.A. | Deposit date: | 2022-06-07 | Release date: | 2023-07-05 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Biophysical and structural characterization of telomeric G-quadruplexes from Tetrahymena thermophila in complex with N-Methyl Mesoporphyrin IX To Be Published
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6O29
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![BU of 6o29 by Molmil](/molmil-images/mine/6o29) | Crystal structure of 4493 Fab in complex with circumsporozoite protein NPDP and anti-kappa VHH domain | Descriptor: | 1,2-ETHANEDIOL, 4493 Fab heavy chain, 4493 Kappa light chain, ... | Authors: | Scally, S.W, Bosch, A, Prieto, K, Murugan, R, Wardemann, H, Julien, J.P. | Deposit date: | 2019-02-22 | Release date: | 2020-07-01 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Evolution of protective human antibodies against Plasmodium falciparum circumsporozoite protein repeat motifs. Nat. Med., 26, 2020
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8S8A
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![BU of 8s8a by Molmil](/molmil-images/mine/8s8a) | Human pyridoxal phosphatase in complex with 7,8-dihydroxyflavone without phosphate | Descriptor: | 7,8-bis(oxidanyl)-2-phenyl-chromen-4-one, CHLORIDE ION, Chronophin, ... | Authors: | Brenner, M, Gohla, A, Schindelin, H. | Deposit date: | 2024-03-06 | Release date: | 2024-06-12 | Last modified: | 2024-06-26 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | 7,8-Dihydroxyflavone is a direct inhibitor of human and murine pyridoxal phosphatase. Elife, 13, 2024
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6PT6
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![BU of 6pt6 by Molmil](/molmil-images/mine/6pt6) | Crystal structure of PsS1_NC C84S in complex with i-neocarratetraose | Descriptor: | 3,6-anhydro-2-O-sulfo-alpha-D-galactopyranose-(1-3)-4-O-sulfo-beta-D-galactopyranose, CALCIUM ION, exo-2S-iota carrageenan S1 sulfatase | Authors: | Hettle, A.G, Boraston, A.B. | Deposit date: | 2019-07-15 | Release date: | 2019-09-25 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Insights into the kappa / iota-carrageenan metabolism pathway of some marinePseudoalteromonasspecies. Commun Biol, 2, 2019
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5LFY
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![BU of 5lfy by Molmil](/molmil-images/mine/5lfy) | |
6O2A
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![BU of 6o2a by Molmil](/molmil-images/mine/6o2a) | Crystal structure of 4493 Fab in complex with circumsporozoite protein NDN and anti-kappa VHH domain | Descriptor: | 1,2-ETHANEDIOL, 4493 Fab heavy chain, 4493 Kappa light chain, ... | Authors: | Scally, S.W, Bosch, A, Prieto, K, Murugan, R, Wardemann, H, Julien, J.P. | Deposit date: | 2019-02-22 | Release date: | 2020-07-01 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Evolution of protective human antibodies against Plasmodium falciparum circumsporozoite protein repeat motifs. Nat. Med., 26, 2020
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6VV6
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![BU of 6vv6 by Molmil](/molmil-images/mine/6vv6) | Mycobacterium tuberculosis dihydrofolate reductase in complex with JEB113 | Descriptor: | 1-(4-fluorophenyl)-5-[3-(1H-indol-3-yl)propoxy]-1H-pyrazole-4-carboxylic acid, COBALT (II) ION, Dihydrofolate reductase, ... | Authors: | Ribeiro, J.A, Dias, M.V.B, Chaves-Pacheco, S.M. | Deposit date: | 2020-02-17 | Release date: | 2020-07-15 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.235 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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7MH6
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![BU of 7mh6 by Molmil](/molmil-images/mine/7mh6) | |
6NR8
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![BU of 6nr8 by Molmil](/molmil-images/mine/6nr8) | hTRiC-hPFD Class6 | Descriptor: | Prefoldin subunit 1, Prefoldin subunit 2, Prefoldin subunit 3, ... | Authors: | Gestaut, D.R, Roh, S.H, Ma, B, Pintilie, G, Joachimiak, L.A, Leitner, A, Walzthoeni, T, Aebersold, R, Chiu, W, Frydman, J. | Deposit date: | 2019-01-23 | Release date: | 2019-06-19 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (7.8 Å) | Cite: | The Chaperonin TRiC/CCT Associates with Prefoldin through a Conserved Electrostatic Interface Essential for Cellular Proteostasis. Cell, 177, 2019
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6PXL
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![BU of 6pxl by Molmil](/molmil-images/mine/6pxl) | 3.74 Angstroms resolution structure of HlsU with an axial-channel plug | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ATP-dependent protease ATPase subunit HslU, MAGNESIUM ION, ... | Authors: | Baytshtok, V, Grant, R.A, Sauer, R.T. | Deposit date: | 2019-07-26 | Release date: | 2020-07-29 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (3.741 Å) | Cite: | Heat activates the AAA+ HslUV protease by melting an axial autoinhibitory plug. Cell Rep, 34, 2021
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7MGX
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![BU of 7mgx by Molmil](/molmil-images/mine/7mgx) | |
6VW0
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![BU of 6vw0 by Molmil](/molmil-images/mine/6vw0) | Mycobacterium tuberculosis RNAP S456L mutant open promoter complex | Descriptor: | DNA (65-MER), DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ... | Authors: | Lilic, M, Boyaci, H, Chen, J, Darst, S.A, Campbell, E.A. | Deposit date: | 2020-02-18 | Release date: | 2020-10-21 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.59 Å) | Cite: | The antibiotic sorangicin A inhibits promoter DNA unwinding in a Mycobacterium tuberculosis rifampicin-resistant RNA polymerase. Proc.Natl.Acad.Sci.USA, 117, 2020
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8D0Y
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![BU of 8d0y by Molmil](/molmil-images/mine/8d0y) | |
7AKL
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![BU of 7akl by Molmil](/molmil-images/mine/7akl) | Structure of DYRK1A in complex with compound 50 | Descriptor: | 4-(2,3-dimethyl-1-benzofuran-5-yl)pyridine-2,6-diamine, CHLORIDE ION, Dual specificity tyrosine-phosphorylation-regulated kinase 1A | Authors: | Dokurno, P, Surgenor, A.E, Kotschy, A. | Deposit date: | 2020-10-01 | Release date: | 2021-05-26 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure-Guided Discovery of Potent and Selective DYRK1A Inhibitors. J.Med.Chem., 64, 2021
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8CU1
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![BU of 8cu1 by Molmil](/molmil-images/mine/8cu1) | Structure of a K+ selective NaK mutant (NaK2K, Laue diffraction) in the presence of an electric field of ~0.8MV/cm along the crystallographic z axis, 500ns, with eightfold extrapolation of structure factor differences | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, POTASSIUM ION, Potassium channel protein, ... | Authors: | Lee, B, White, K.I, Socolich, M.A, Klureza, M.A, Henning, R, Srajer, V, Ranganathan, R, Hekstra, D. | Deposit date: | 2022-05-16 | Release date: | 2023-07-26 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Direct visualization of electric field-stimulated ion conduction in a potassium channel To Be Published
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7AJ2
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![BU of 7aj2 by Molmil](/molmil-images/mine/7aj2) | Structure of DYRK1A in complex with compound 3 | Descriptor: | 4-(4-methoxyphenyl)pyridin-2-amine, CHLORIDE ION, Dual specificity tyrosine-phosphorylation-regulated kinase 1A | Authors: | Dokurno, P, Surgenor, A.E, Kotschy, A. | Deposit date: | 2020-09-28 | Release date: | 2021-05-26 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure-Guided Discovery of Potent and Selective DYRK1A Inhibitors. J.Med.Chem., 64, 2021
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8CU3
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![BU of 8cu3 by Molmil](/molmil-images/mine/8cu3) | Structure of a K+ selective NaK mutant (NaK2K, Laue diffraction) in the presence of an electric field of ~0.8MV/cm along the crystallographic z axis, 200ns, with eightfold extrapolation of structure factor differences | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, POTASSIUM ION, Potassium channel protein, ... | Authors: | Lee, B, White, K.I, Socolich, M.A, Klureza, M.A, Henning, R, Srajer, V, Ranganathan, R, Hekstra, D. | Deposit date: | 2022-05-16 | Release date: | 2023-07-26 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Direct visualization of electric field-stimulated ion conduction in a potassium channel To Be Published
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7AJ8
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![BU of 7aj8 by Molmil](/molmil-images/mine/7aj8) | Structure of DYRK1A in complex with compound 25 | Descriptor: | 4-(1-benzofuran-5-yl)pyridin-2-amine, CHLORIDE ION, Dual specificity tyrosine-phosphorylation-regulated kinase 1A | Authors: | Dokurno, P, Surgenor, A.E, Kotschy, A. | Deposit date: | 2020-09-28 | Release date: | 2021-05-26 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure-Guided Discovery of Potent and Selective DYRK1A Inhibitors. J.Med.Chem., 64, 2021
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6ZFC
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![BU of 6zfc by Molmil](/molmil-images/mine/6zfc) | Fucose-binding lectin from Burkholderia ambifaria (BamBL) in complex with a fucosyl derivative | Descriptor: | 2-[(2~{S},3~{S},4~{R},4~{a}~{S},10~{a}~{S})-2-methyl-3,4-bis(oxidanyl)-3,4,4~{a},10~{a}-tetrahydro-2~{H}-pyrano[2,3-b][1,4]benzoxathiin-7-yl]-~{N}-(3-oxidanylpropyl)ethanamide, bacterial lectin from Burkholderia ambifaria | Authors: | Kuhaudomlarp, S, Gillon, E, Fragai, M, Cerofolini, L, Giuntini, S, Denis, M, Santarsia, S, Valori, C, Dondoni, A, Fallarini, S, Lombardi, G, Nativi, C, Imberty, A. | Deposit date: | 2020-06-17 | Release date: | 2020-10-28 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Fucosylated ubiquitin and orthogonally glycosylated mutant A28C: conceptually new ligands for Burkholderia ambifaria lectin (BambL). Chem Sci, 11, 2020
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7AKF
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![BU of 7akf by Molmil](/molmil-images/mine/7akf) | Structure of DYRK2 in complex with compound 50 | Descriptor: | 4-(2,3-dimethyl-1-benzofuran-5-yl)pyridine-2,6-diamine, CHLORIDE ION, Dual specificity tyrosine-phosphorylation-regulated kinase 2 | Authors: | Dokurno, P, Surgenor, A.E, Kotschy, A. | Deposit date: | 2020-09-30 | Release date: | 2021-05-26 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure-Guided Discovery of Potent and Selective DYRK1A Inhibitors. J.Med.Chem., 64, 2021
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7AJ7
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![BU of 7aj7 by Molmil](/molmil-images/mine/7aj7) | Structure of DYRK1A in complex with compound 16 | Descriptor: | 4-(3-methylbenzimidazol-5-yl)pyridine-2,6-diamine, CHLORIDE ION, Dual specificity tyrosine-phosphorylation-regulated kinase 1A | Authors: | Dokurno, P, Surgenor, A.E, Kotschy, A. | Deposit date: | 2020-09-28 | Release date: | 2021-05-26 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structure-Guided Discovery of Potent and Selective DYRK1A Inhibitors. J.Med.Chem., 64, 2021
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7AJS
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![BU of 7ajs by Molmil](/molmil-images/mine/7ajs) | Structure of DYRK1A in complex with compound 33 | Descriptor: | 4-(2-methyl-1-benzofuran-5-yl)pyridine-2,6-diamine, DIMETHYL SULFOXIDE, Dual specificity tyrosine-phosphorylation-regulated kinase 1A, ... | Authors: | Dokurno, P, Surgenor, A.E, Kotschy, A. | Deposit date: | 2020-09-29 | Release date: | 2021-05-26 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structure-Guided Discovery of Potent and Selective DYRK1A Inhibitors. J.Med.Chem., 64, 2021
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7AJ5
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![BU of 7aj5 by Molmil](/molmil-images/mine/7aj5) | Structure of DYRK1A in complex with compound 10 | Descriptor: | 4-(1-benzofuran-5-yl)pyridine-2,6-diamine, CHLORIDE ION, Dual specificity tyrosine-phosphorylation-regulated kinase 1A | Authors: | Dokurno, P, Surgenor, A.E, Kotschy, A. | Deposit date: | 2020-09-28 | Release date: | 2021-05-26 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure-Guided Discovery of Potent and Selective DYRK1A Inhibitors. J.Med.Chem., 64, 2021
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7AJM
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![BU of 7ajm by Molmil](/molmil-images/mine/7ajm) | Structure of DYRK1A in complex with compound 32 | Descriptor: | DIMETHYL SULFOXIDE, Dual specificity tyrosine-phosphorylation-regulated kinase 1A, ~{N}-[6-azanyl-4-(1-benzofuran-5-yl)pyridin-2-yl]-2-(methylamino)ethanamide | Authors: | Dokurno, P, Surgenor, A.E, Kotschy, A. | Deposit date: | 2020-09-29 | Release date: | 2021-05-26 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure-Guided Discovery of Potent and Selective DYRK1A Inhibitors. J.Med.Chem., 64, 2021
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6W01
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![BU of 6w01 by Molmil](/molmil-images/mine/6w01) | The 1.9 A Crystal Structure of NSP15 Endoribonuclease from SARS CoV-2 in the Complex with a Citrate | Descriptor: | 1,2-ETHANEDIOL, CITRIC ACID, DI(HYDROXYETHYL)ETHER, ... | Authors: | Kim, Y, Jedrzejczak, R, Maltseva, N, Endres, M, Godzik, A, Michalska, K, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2020-02-28 | Release date: | 2020-03-11 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of Nsp15 endoribonuclease NendoU from SARS-CoV-2. Protein Sci., 29, 2020
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