8AOH
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![BU of 8aoh by Molmil](/molmil-images/mine/8aoh) | Specific covalent inhibitor(18) of ERK2 | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | Authors: | Cleasby, A. | Deposit date: | 2022-08-08 | Release date: | 2022-09-28 | Last modified: | 2022-10-05 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | X-ray Screening of an Electrophilic Fragment Library and Application toward the Development of a Novel ERK 1/2 Covalent Inhibitor. J.Med.Chem., 65, 2022
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8AOD
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![BU of 8aod by Molmil](/molmil-images/mine/8aod) | Specific covalent inhibitor(14) of ERK2 | Descriptor: | 1,2-ETHANEDIOL, 1-(3-oxidanyl-2~{H}-quinoxalin-1-yl)propan-1-one, 4-prop-2-enoyl-1,3-dihydroquinoxalin-2-one, ... | Authors: | Cleasby, A. | Deposit date: | 2022-08-08 | Release date: | 2022-09-28 | Last modified: | 2022-10-05 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | X-ray Screening of an Electrophilic Fragment Library and Application toward the Development of a Novel ERK 1/2 Covalent Inhibitor. J.Med.Chem., 65, 2022
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7Q7Q
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![BU of 7q7q by Molmil](/molmil-images/mine/7q7q) | LIPIDIC CUBIC PHASE SERIAL FEMTOSECOND CRYSTALLOGRAPHY STRUCTURE OF A PHOTOSYNTHETIC REACTION CENTRE | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 15-cis-1,2-dihydroneurosporene, BACTERIOCHLOROPHYLL B, ... | Authors: | Baath, P, Banacore, A, Neutze, R. | Deposit date: | 2021-11-09 | Release date: | 2022-06-22 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Lipidic cubic phase serial femtosecond crystallography structure of a photosynthetic reaction centre. Acta Crystallogr D Struct Biol, 78, 2022
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8AO7
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![BU of 8ao7 by Molmil](/molmil-images/mine/8ao7) | Specific covalent inhibitor (8) of ERK2 | Descriptor: | 1,2-ETHANEDIOL, Mitogen-activated protein kinase 1, SULFATE ION, ... | Authors: | Cleasby, A. | Deposit date: | 2022-08-08 | Release date: | 2022-09-28 | Last modified: | 2022-10-05 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | X-ray Screening of an Electrophilic Fragment Library and Application toward the Development of a Novel ERK 1/2 Covalent Inhibitor. J.Med.Chem., 65, 2022
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8AOE
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![BU of 8aoe by Molmil](/molmil-images/mine/8aoe) | Specific covalent inhibitor(15) of ERK2 | Descriptor: | 1,2-ETHANEDIOL, Mitogen-activated protein kinase 1, SULFATE ION, ... | Authors: | Cleasby, A. | Deposit date: | 2022-08-08 | Release date: | 2022-09-28 | Last modified: | 2023-05-24 | Method: | X-RAY DIFFRACTION (1.687 Å) | Cite: | X-ray Screening of an Electrophilic Fragment Library and Application toward the Development of a Novel ERK 1/2 Covalent Inhibitor. J.Med.Chem., 65, 2022
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7QNG
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![BU of 7qng by Molmil](/molmil-images/mine/7qng) | Structure of a MHC I-Tapasin-ERp57 complex | Descriptor: | Beta-2-microglobulin, H-2 class I histocompatibility antigen, D-B alpha chain, ... | Authors: | Mueller, I.K, Thomas, C, Trowitzsch, S, Tampe, R. | Deposit date: | 2021-12-20 | Release date: | 2022-09-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structure of an MHC I-tapasin-ERp57 editing complex defines chaperone promiscuity. Nat Commun, 13, 2022
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1E3X
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![BU of 1e3x by Molmil](/molmil-images/mine/1e3x) | Native structure of chimaeric amylase from B. amyloliquefaciens and B. licheniformis at 1.92A | Descriptor: | ALPHA-AMYLASE, CALCIUM ION, SODIUM ION | Authors: | Brzozowski, A.M, Lawson, D.M, Turkenburg, J.P, Bisgaard-Frantzen, H, Svendsen, A, Borchert, T.V, Dauter, Z, Wilson, K.S, Davies, G.J. | Deposit date: | 2000-06-26 | Release date: | 2001-06-21 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural Analysis of a Chimeric Bacterial Alpha-Amylase. High Resolution Analysis of Native and Ligand Complexes Biochemistry, 39, 2000
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6YW6
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![BU of 6yw6 by Molmil](/molmil-images/mine/6yw6) | Cryo-EM structure of the ARP2/3 1B5CL isoform complex. | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, ARPC1B, Actin-related protein 2, ... | Authors: | von Loeffelholz, O, Moores, C, Purkiss, A. | Deposit date: | 2020-04-29 | Release date: | 2020-07-22 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (4.2 Å) | Cite: | Cryo-EM of human Arp2/3 complexes provides structural insights into actin nucleation modulation by ARPC5 isoforms. Biol Open, 9, 2020
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8B0X
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![BU of 8b0x by Molmil](/molmil-images/mine/8b0x) | Translating 70S ribosome in the unrotated state (P and E, tRNAs) | Descriptor: | 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ... | Authors: | Fromm, S.A, O'Connor, K.M, Purdy, M, Bhatt, P.R, Loughran, G, Atkins, J.F, Jomaa, A, Mattei, S. | Deposit date: | 2022-09-08 | Release date: | 2022-11-30 | Last modified: | 2024-04-24 | Method: | ELECTRON MICROSCOPY (1.55 Å) | Cite: | The translating bacterial ribosome at 1.55 angstrom resolution generated by cryo-EM imaging services. Nat Commun, 14, 2023
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6YW7
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![BU of 6yw7 by Molmil](/molmil-images/mine/6yw7) | Cryo-EM structure of the ARP2/3 1A5C isoform complex. | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Actin-related protein 2, Actin-related protein 2/3 complex subunit 1A, ... | Authors: | von Loeffelholz, O, Moores, C, Purkiss, A. | Deposit date: | 2020-04-29 | Release date: | 2020-07-22 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (4.5 Å) | Cite: | Cryo-EM of human Arp2/3 complexes provides structural insights into actin nucleation modulation by ARPC5 isoforms. Biol Open, 9, 2020
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1FNH
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![BU of 1fnh by Molmil](/molmil-images/mine/1fnh) | CRYSTAL STRUCTURE OF HEPARIN AND INTEGRIN BINDING SEGMENT OF HUMAN FIBRONECTIN | Descriptor: | PROTEIN (FIBRONECTIN) | Authors: | Sharma, A, Askari, J, Humphries, M, Jones, E.Y, Stuart, D.I. | Deposit date: | 1999-01-28 | Release date: | 1999-03-16 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structure of a heparin- and integrin-binding segment of human fibronectin. EMBO J., 18, 1999
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6ZG0
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![BU of 6zg0 by Molmil](/molmil-images/mine/6zg0) | SARM1 SAM1-2 domains | Descriptor: | 1,2-ETHANEDIOL, BETA-MERCAPTOETHANOL, DI(HYDROXYETHYL)ETHER, ... | Authors: | Sporny, M, Guez-Haddad, J, Khazma, T, Yaron, A, Dessau, M, Mim, C, Isupov, M.N, Zalk, R, Hons, M, Opatowsky, Y. | Deposit date: | 2020-06-18 | Release date: | 2020-11-11 | Last modified: | 2020-12-09 | Method: | ELECTRON MICROSCOPY (7.7 Å) | Cite: | Structural basis for SARM1 inhibition and activation under energetic stress. Elife, 9, 2020
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8AG6
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![BU of 8ag6 by Molmil](/molmil-images/mine/8ag6) | |
6ZEJ
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![BU of 6zej by Molmil](/molmil-images/mine/6zej) | Structure of PP1-Phactr1 chimera [PP1(7-304) + linker (SGSGS) + Phactr1(526-580)] | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, MANGANESE (II) ION, ... | Authors: | Mouilleron, S, Treisman, R, Fedoryshchak, R, Lee, R, Butler, A.M, Prechova, M. | Deposit date: | 2020-06-16 | Release date: | 2020-09-30 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Molecular basis for substrate specificity of the Phactr1/PP1 phosphatase holoenzyme. Elife, 9, 2020
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7W9N
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![BU of 7w9n by Molmil](/molmil-images/mine/7w9n) | THE STRUCTURE OF OBA33-OTA COMPLEX | Descriptor: | (2~{S})-2-[[(3~{R})-5-chloranyl-3-methyl-8-oxidanyl-1-oxidanylidene-3,4-dihydroisochromen-7-yl]carbonylamino]-3-phenyl-propanoic acid, OTA DNA APTAMER (33-MER) | Authors: | Xu, G.H, Li, C.G. | Deposit date: | 2021-12-10 | Release date: | 2022-01-19 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structural Insights into the Mechanism of High-Affinity Binding of Ochratoxin A by a DNA Aptamer. J.Am.Chem.Soc., 144, 2022
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1F88
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![BU of 1f88 by Molmil](/molmil-images/mine/1f88) | CRYSTAL STRUCTURE OF BOVINE RHODOPSIN | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, MERCURY (II) ION, RETINAL, ... | Authors: | Okada, T, Palczewski, K, Stenkamp, R.E, Miyano, M. | Deposit date: | 2000-06-29 | Release date: | 2000-08-04 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structure of rhodopsin: A G protein-coupled receptor. Science, 289, 2000
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6XZB
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![BU of 6xzb by Molmil](/molmil-images/mine/6xzb) | E. coli 70S ribosome in complex with dirithromycin, fMet-Phe-tRNA(Phe) and deacylated tRNA(iMet) (focused classification). | Descriptor: | 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ... | Authors: | Pichkur, E.B, Polikanov, Y.S, Myasnikov, A.G, Konevega, A.L. | Deposit date: | 2020-02-03 | Release date: | 2020-11-04 | Last modified: | 2024-04-24 | Method: | ELECTRON MICROSCOPY (2.54 Å) | Cite: | Insights into the improved macrolide inhibitory activity from the high-resolution cryo-EM structure of dirithromycin bound to the E. coli 70S ribosome. Rna, 26, 2020
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6XJV
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![BU of 6xjv by Molmil](/molmil-images/mine/6xjv) | MCU holocomplex in High-calcium state | Descriptor: | Calcium uniporter protein, mitochondrial, Calcium uptake protein 1, ... | Authors: | Wang, Y, Jiang, Y. | Deposit date: | 2020-06-24 | Release date: | 2020-09-09 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (4.17 Å) | Cite: | Structural insights into the Ca 2+ -dependent gating of the human mitochondrial calcium uniporter. Elife, 9, 2020
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8AEV
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![BU of 8aev by Molmil](/molmil-images/mine/8aev) | Human acetylcholinesterase in complex with N,N,N-trimethyl-2-oxo-2-(2-(pyridin-2-ylmethylene)hydrazineyl)ethan-1-aminium | Descriptor: | 1-(2-(2-((6-(dihydroxymethyl)-2-phenylpyrimidin-4-yl)methylene)hydrazineyl)-2-oxoethyl)pyridin-1-ium, 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)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Nachon, F, Dias, J, Brazzolotto, X. | Deposit date: | 2022-07-13 | Release date: | 2023-06-14 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.89 Å) | Cite: | Grid-Type Quaternary Metallosupramolecular Compounds Inhibit Human Cholinesterases through Dynamic Multivalent Interactions. Chembiochem, 23, 2022
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7QUI
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![BU of 7qui by Molmil](/molmil-images/mine/7qui) | Crystal structure of the N-terminal domain of Siglec-8 in complex with sulfonamide sialoside analogue | Descriptor: | (2~{S},4~{S},5~{R},6~{R})-5-acetamido-2-[(2~{S},3~{R},4~{S},5~{S},6~{R})-2-[(2~{R},3~{S},4~{R},5~{R},6~{R})-5-acetamido-2-(hydroxymethyl)-4,6-bis(oxidanyl)oxan-3-yl]oxy-3,5-bis(oxidanyl)-6-(sulfooxymethyl)oxan-4-yl]oxy-6-[(1~{R},2~{R})-3-(naphthalen-2-ylsulfonylamino)-1,2-bis(oxidanyl)propyl]-4-oxidanyl-oxane-2-carboxylic acid, Sialic acid-binding Ig-like lectin 8 | Authors: | Lenza, M.P, Oyenarte, I, Atxabal, U, Nycholat, C, Franconetti, A, Quintana, J.I, Delgado, S, Unione, L, Paulson, J, Jimenez-Barbero, J, Ereno-Orbea, J. | Deposit date: | 2022-01-18 | Release date: | 2023-01-18 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (3.352 Å) | Cite: | Structures of the Inhibitory Receptor Siglec-8 in Complex with a High-Affinity Sialoside Analogue and a Therapeutic Antibody. Jacs Au, 3, 2023
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7QU6
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![BU of 7qu6 by Molmil](/molmil-images/mine/7qu6) | Crystal structure of the N-terminal domain of Siglec-8 | Descriptor: | Sialic acid-binding Ig-like lectin 8 | Authors: | Lenza, M.P, Atxabal, U, Nycholat, C.M, Oyenarte, I, Paulson, J.C, Franconetti, A, Quintana, J.I, Unione, L, Delgado, S, Jimenez-Barbero, J, Ereno-Orbea, J. | Deposit date: | 2022-01-17 | Release date: | 2023-01-18 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Structures of the Inhibitory Receptor Siglec-8 in Complex with a High-Affinity Sialoside Analogue and a Therapeutic Antibody. Jacs Au, 3, 2023
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8AEN
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![BU of 8aen by Molmil](/molmil-images/mine/8aen) | Human acetylcholinesterase in complex with zinc and N,N,N-trimethyl-2-oxo-2-(2-(pyridin-2-ylmethylene)hydrazineyl)ethan-1-aminium | Descriptor: | 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)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase, ... | Authors: | Nachon, F, Dias, J, Brazzolotto, X. | Deposit date: | 2022-07-13 | Release date: | 2023-06-21 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (3.01 Å) | Cite: | Grid-Type Quaternary Metallosupramolecular Compounds Inhibit Human Cholinesterases through Dynamic Multivalent Interactions. Chembiochem, 23, 2022
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7XID
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![BU of 7xid by Molmil](/molmil-images/mine/7xid) | S-ECD (Omicron) in complex with PD of ACE2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ... | Authors: | Li, Y.N, Shen, Y.P, Zhang, Y.Y, Yan, R.H. | Deposit date: | 2022-04-12 | Release date: | 2022-06-15 | Last modified: | 2022-06-22 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Structural and functional analysis of an inter-Spike bivalent neutralizing antibody against SARS-CoV-2 variants. Iscience, 25, 2022
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6ZEI
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![BU of 6zei by Molmil](/molmil-images/mine/6zei) | Structure of PP1-IRSp53 S455E chimera [PP1(7-304) + linker (G/S)x9 + IRSp53(449-465)] bound to Phactr1 (516-580) | Descriptor: | GLYCEROL, MANGANESE (II) ION, PHOSPHATE ION, ... | Authors: | Mouilleron, S, Treisman, R, Fedoryshchak, R, Lee, R, Butler, A.M, Prechova, M. | Deposit date: | 2020-06-16 | Release date: | 2020-09-30 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.39 Å) | Cite: | Molecular basis for substrate specificity of the Phactr1/PP1 phosphatase holoenzyme. Elife, 9, 2020
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1FCE
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![BU of 1fce by Molmil](/molmil-images/mine/1fce) | PROCESSIVE ENDOCELLULASE CELF OF CLOSTRIDIUM CELLULOLYTICUM | Descriptor: | CALCIUM ION, CELLULASE CELF, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-4-thio-beta-D-glucopyranose-(1-4)-methyl beta-D-glucopyranoside | Authors: | Parsiegla, G, Juy, M, Haser, R. | Deposit date: | 1998-07-06 | Release date: | 1999-07-22 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The crystal structure of the processive endocellulase CelF of Clostridium cellulolyticum in complex with a thiooligosaccharide inhibitor at 2.0 A resolution. EMBO J., 17, 1998
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