7U5G
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![BU of 7u5g by Molmil](/molmil-images/mine/7u5g) | ACS122 Fab | Descriptor: | ACS122 Fab Heavy chain, ACS122 Fab Light chain | Authors: | Farokhi, E, Stanfield, R.L, Wilson, I.A. | Deposit date: | 2022-03-02 | Release date: | 2022-11-02 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Complementary antibody lineages achieve neutralization breadth in an HIV-1 infected elite neutralizer. Plos Pathog., 18, 2022
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5MIW
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![BU of 5miw by Molmil](/molmil-images/mine/5miw) | X-ray structure uridine phosphorylase from Vibrio cholerae in complex with uracil at 1.28 A. | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ... | Authors: | Prokofev, I.I, Lashkov, A.A, Balaev, V.V, Gabdoulkhakov, A.G, Betzel, C, Mikhailov, A.M. | Deposit date: | 2016-11-29 | Release date: | 2017-12-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.28 Å) | Cite: | X-ray structure uridine phosphorylase from Vibrio cholerae in complex with uracil at 1.28 A. To Be Published
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6PV6
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![BU of 6pv6 by Molmil](/molmil-images/mine/6pv6) | Functional Pathways of Biomolecules Retrieved from Single-particle Snapshots | Descriptor: | CALCIUM ION, Peptidyl-prolyl cis-trans isomerase FKBP1B, Ryanodine receptor 1, ... | Authors: | Dashti, A, des Georges, A, Frank, J, Ourmazd, A. | Deposit date: | 2019-07-19 | Release date: | 2020-08-12 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (4.5 Å) | Cite: | Retrieving functional pathways of biomolecules from single-particle snapshots. Nat Commun, 11, 2020
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6O2P
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![BU of 6o2p by Molmil](/molmil-images/mine/6o2p) | Complex of ivacaftor with cystic fibrosis transmembrane conductance regulator (CFTR) | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, ADENOSINE-5'-TRIPHOSPHATE, Cystic fibrosis transmembrane conductance regulator, ... | Authors: | Liu, F, Zhang, Z, Chen, J, Levit, A, Shoichet, B. | Deposit date: | 2019-02-24 | Release date: | 2019-06-26 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Structural identification of a hotspot on CFTR for potentiation. Science, 364, 2019
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6NQY
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![BU of 6nqy by Molmil](/molmil-images/mine/6nqy) | Flagellar protein FcpA from Leptospira biflexa / ab-centered monoclinic form | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, Flagellar coiling protein A, ... | Authors: | Mechaly, A, Larrieux, N, Trajtenberg, F, Buschiazzo, A. | Deposit date: | 2019-01-22 | Release date: | 2020-01-29 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | An asymmetric sheath controls flagellar supercoiling and motility in the Leptospira spirochete. Elife, 9, 2020
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6PXC
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![BU of 6pxc by Molmil](/molmil-images/mine/6pxc) | |
7REF
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![BU of 7ref by Molmil](/molmil-images/mine/7ref) | Structure of MS3494 from Mycobacterium smegmatis | Descriptor: | BROMIDE ION, MS3494 | Authors: | Kent, J.E, Aleshin, A.E, Zhang, L, Niederweis, M, Marassi, F.M. | Deposit date: | 2021-07-12 | Release date: | 2021-08-18 | Last modified: | 2022-06-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | A periplasmic cinched protein is required for siderophore secretion and virulence of Mycobacterium tuberculosis. Nat Commun, 13, 2022
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7U0P
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![BU of 7u0p by Molmil](/molmil-images/mine/7u0p) | SARS-Cov2 S protein structure in complex with neutralizing monoclonal antibody 002-S21F2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ... | Authors: | Patel, A, Ortlund, E. | Deposit date: | 2022-02-18 | Release date: | 2022-08-10 | Last modified: | 2023-02-22 | Method: | ELECTRON MICROSCOPY (3.76 Å) | Cite: | Structural insights for neutralization of Omicron variants BA.1, BA.2, BA.4, and BA.5 by a broadly neutralizing SARS-CoV-2 antibody. Sci Adv, 8, 2022
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7OVY
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![BU of 7ovy by Molmil](/molmil-images/mine/7ovy) | Crystal structure of a dimeric based inhibitor JG34 in complex with the MMP-12 catalytic domain | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, Macrophage metalloelastase, ... | Authors: | Ciccone, L, Rossello, A, Vera, L, Nuti, E, Stura, E.A. | Deposit date: | 2021-06-15 | Release date: | 2021-10-27 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.24 Å) | Cite: | Discovery of Dimeric Arylsulfonamides as Potent ADAM8 Inhibitors. Acs Med.Chem.Lett., 12, 2021
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8RI5
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![BU of 8ri5 by Molmil](/molmil-images/mine/8ri5) | Crystal structure of transplatin/B-DNA adduct obtained upon 48 h of soaking | Descriptor: | AMMONIA, DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), MAGNESIUM ION, ... | Authors: | Tito, G, Troisi, R, Ferraro, G, Sica, F, Merlino, A. | Deposit date: | 2023-12-18 | Release date: | 2024-02-07 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.415 Å) | Cite: | On the mechanism of action of arsenoplatins: arsenoplatin-1 binding to a B-DNA dodecamer. Dalton Trans, 53, 2024
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7P04
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![BU of 7p04 by Molmil](/molmil-images/mine/7p04) | Cryo-EM structure of Pdr5 from Saccharomyces cerevisiae in inward-facing conformation with ADP/ATP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Pleiotropic ABC efflux transporter of multiple drugs | Authors: | Szewczak-Harris, A, Wagner, M, Du, D, Schmitt, L, Luisi, B.F. | Deposit date: | 2021-06-29 | Release date: | 2021-11-10 | Method: | ELECTRON MICROSCOPY (2.85 Å) | Cite: | Structure and efflux mechanism of the yeast pleiotropic drug resistance transporter Pdr5. Nat Commun, 12, 2021
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5NFF
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![BU of 5nff by Molmil](/molmil-images/mine/5nff) | Crystal structure of GP1 receptor binding domain from Morogoro virus | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CITRIC ACID, ... | Authors: | Israeli, H, Cohen-Dvashi, H, Shulman, A, Shimon, A, Diskin, R. | Deposit date: | 2017-03-14 | Release date: | 2017-04-19 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.615 Å) | Cite: | Mapping of the Lassa virus LAMP1 binding site reveals unique determinants not shared by other old world arenaviruses. PLoS Pathog., 13, 2017
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6NTR
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![BU of 6ntr by Molmil](/molmil-images/mine/6ntr) | Crystal Structure of Beta-barrel-like Protein of Domain of Unknown Function DUF1849 from Brucella abortus | Descriptor: | 1,2-ETHANEDIOL, ATP/GTP-binding site-containing protein A, GLYCEROL | Authors: | Kim, Y, Bigelow, L, Endres, M, Babnigg, G, Crosson, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2019-01-30 | Release date: | 2019-02-13 | Last modified: | 2019-12-18 | Method: | X-RAY DIFFRACTION (2.101 Å) | Cite: | BrucellaPeriplasmic Protein EipB Is a Molecular Determinant of Cell Envelope Integrity and Virulence. J.Bacteriol., 201, 2019
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5NI6
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![BU of 5ni6 by Molmil](/molmil-images/mine/5ni6) | Crystal structure of human LTA4H mutant D375N in complex with LTA4 | Descriptor: | 5S-5,6-oxido-7,9-trans-11,14-cis-eicosatetraenoic acid, ACETIC ACID, Leukotriene A-4 hydrolase, ... | Authors: | Stsiapanava, A. | Deposit date: | 2017-03-23 | Release date: | 2017-08-23 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Capturing LTA4 hydrolase in action: Insights to the chemistry and dynamics of chemotactic LTB4 synthesis. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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7RSI
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![BU of 7rsi by Molmil](/molmil-images/mine/7rsi) | The cryo-EM map of KIF18A bound to KIFBP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, KIF-binding protein, Kinesin-like protein KIF18A, ... | Authors: | Tan, Z, Solon, A.L, Schutt, K.L, Jepsen, L, Haynes, S.E, Nesvizhskii, A.I, Sept, D, Stumpff, J, Ohi, R, Cianfrocco, M.A. | Deposit date: | 2021-08-11 | Release date: | 2021-09-08 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (4.9 Å) | Cite: | Kinesin-binding protein remodels the kinesin motor to prevent microtubule binding. Sci Adv, 7, 2021
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7P84
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![BU of 7p84 by Molmil](/molmil-images/mine/7p84) | Crystal structure of L147A/I351A variant of S-adenosylmethionine synthetase from Methanocaldococcus jannaschii in complex with ONB-SAM (2-nitro benzyme S-adenosyl-methionine) | Descriptor: | MAGNESIUM ION, S-adenosylmethionine synthase, TRIPHOSPHATE, ... | Authors: | Herrmann, E, Peters, A, Cornelissen, N.V, Rentmeister, A, Kuemmel, D. | Deposit date: | 2021-07-21 | Release date: | 2021-11-17 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.054 Å) | Cite: | Visible-Light Removable Photocaging Groups Accepted by MjMAT Variant: Structural Basis and Compatibility with DNA and RNA Methyltransferases. Chembiochem, 23, 2022
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6VZC
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![BU of 6vzc by Molmil](/molmil-images/mine/6vzc) | |
7P8M
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![BU of 7p8m by Molmil](/molmil-images/mine/7p8m) | Crystal structure of L147A/I351A variant of S-adenosylmethionine synthetase from Methanocaldococcus jannaschii in complex with DMNB-SAM (4,5-dimethoxy-2-nitro benzyme S-adenosyl-methionine) | Descriptor: | 4,5-dimethoxy-2-nitro benzyme S-adenosyl-methionine, MAGNESIUM ION, S-adenosylmethionine synthase, ... | Authors: | Herrmann, E, Peters, A, Cornelissen, N.V, Rentmeister, A, Kuemmel, D. | Deposit date: | 2021-07-23 | Release date: | 2021-11-17 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Visible-Light Removable Photocaging Groups Accepted by MjMAT Variant: Structural Basis and Compatibility with DNA and RNA Methyltransferases. Chembiochem, 23, 2022
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7TMZ
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![BU of 7tmz by Molmil](/molmil-images/mine/7tmz) | Integrin alaphIIBbeta3 complex with BMS compound 4 | Descriptor: | (4-{[(5S)-3-{4-[(E)-imino(4-methylpiperazin-1-yl)methyl]phenyl}-4,5-dihydro-1,2-oxazol-5-yl]methyl}piperazin-1-yl)acetic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Zhu, J, Lin, F.-Y, Zhu, J, Springer, T.A. | Deposit date: | 2022-01-20 | Release date: | 2022-08-17 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.20002 Å) | Cite: | A general chemical principle for creating closure-stabilizing integrin inhibitors. Cell, 185, 2022
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7U9F
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![BU of 7u9f by Molmil](/molmil-images/mine/7u9f) | Integrin alaphIIBbeta3 complex with BMS compound 4 in Mn2+ | Descriptor: | (4-{[(5S)-3-{4-[(E)-imino(4-methylpiperazin-1-yl)methyl]phenyl}-4,5-dihydro-1,2-oxazol-5-yl]methyl}piperazin-1-yl)acetic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Lin, F.-Y, Zhu, J, Zhu, J, Springer, T.A. | Deposit date: | 2022-03-10 | Release date: | 2022-08-17 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.70000529 Å) | Cite: | A general chemical principle for creating closure-stabilizing integrin inhibitors. Cell, 185, 2022
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5NMA
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![BU of 5nma by Molmil](/molmil-images/mine/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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6ZJS
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![BU of 6zjs by Molmil](/molmil-images/mine/6zjs) | Cold-adapted beta-D-galactosidase from Arthrobacter sp. 32cB mutant E441Q in complex with galactose | Descriptor: | (2S)-2-hydroxybutanedioic acid, ACETATE ION, Beta-galactosidase, ... | Authors: | Rutkiewicz, M, Bujacz, A, Bujacz, G. | Deposit date: | 2020-06-29 | Release date: | 2020-08-05 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Mapping the Transglycosylation Relevant Sites of Cold-Adapted beta-d-Galactosidase fromArthrobactersp. 32cB. Int J Mol Sci, 21, 2020
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6ZI8
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![BU of 6zi8 by Molmil](/molmil-images/mine/6zi8) | X-ray diffraction structure of bovine insulin at 2.3 A resolution | Descriptor: | CHLORIDE ION, Insulin, ZINC ION | Authors: | Housset, D, Ling, W.L, Bacia-Verloop, M, Zander, U, McCarthy, A.A, Schoehn, G. | Deposit date: | 2020-06-25 | Release date: | 2021-01-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Statistically correcting dynamical electron scattering improves the refinement of protein nanocrystals, including charge refinement of coordinated metals. Acta Crystallogr D Struct Biol, 77, 2021
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6PYS
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![BU of 6pys by Molmil](/molmil-images/mine/6pys) | Human PI3Kalpha in complex with Compound 2-10 ((3S)-3-benzyl-3-methyl-5-[5-(2-methylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-1,3-dihydro-2H-indol-2-one) | Descriptor: | (3S)-3-benzyl-3-methyl-5-[5-(2-methylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-1,3-dihydro-2H-indol-2-one, GLYCEROL, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Authors: | Lesburg, C.A, Augustin, M.A. | Deposit date: | 2019-07-30 | Release date: | 2019-08-28 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Design of selective PI3K delta inhibitors using an iterative scaffold-hopping workflow. Bioorg.Med.Chem.Lett., 29, 2019
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7P82
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![BU of 7p82 by Molmil](/molmil-images/mine/7p82) | Crystal structure of apo form L147A/I351A variant of S-adenosylmethionine synthetase from Methanocaldococcus jannaschii | Descriptor: | S-adenosylmethionine synthase | Authors: | Herrmann, E, Peters, A, Cornelissen, N.V, Rentmeister, A, Kuemmel, D. | Deposit date: | 2021-07-21 | Release date: | 2021-11-17 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.042 Å) | Cite: | Visible-Light Removable Photocaging Groups Accepted by MjMAT Variant: Structural Basis and Compatibility with DNA and RNA Methyltransferases. Chembiochem, 23, 2022
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