7AYN
 
 | | Crystal structure of the lectin domain of the FimH variant Arg98Ala, in complex with Methyl 3-chloro-4-D-mannopyranosyloxy-3-biphenylcarboxylate | | Descriptor: | 1,2-ETHANEDIOL, Type 1 fimbrin D-mannose specific adhesin, methyl 3-[3-chloranyl-4-[(2~{R},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-phenyl]benzoate | | Authors: | Jakob, R.P, Tomasic, T, Rabbani, S, Reisner, A, Jakopin, Z, Maier, T, Ernst, B, Anderluh, M. | | Deposit date: | 2020-11-12 | | Release date: | 2020-12-23 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Does targeting Arg98 of FimH lead to high affinity antagonists?
Eur.J.Med.Chem., 211, 2020
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6OMX
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7PHI
 | | Human voltage-gated potassium channel Kv3.1 (with Zn) | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSHOCHOLINE, POTASSIUM ION, Potassium voltage-gated channel, ... | | Authors: | Chi, G, Qian, P, Castro-Hartmann, P, Venkaya, S, Singh, N.K, McKinley, G, Mukhopadhyay, S.M.M, Fernandez-Cid, A, Marsden, B, MacLean, E.M, Pike, A.C.W, Sader, K, Burgess-Brown, N.A, Duerr, K.L. | | Deposit date: | 2021-08-17 | | Release date: | 2022-03-02 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Cryo-EM structure of the human Kv3.1 channel reveals gating control by the cytoplasmic T1 domain.
Nat Commun, 13, 2022
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6MJT
 | | Azurin 122F/124W/126Re | | Descriptor: | (1,10 PHENANTHROLINE)-(TRI-CARBON MONOXIDE) RHENIUM (I), Azurin, COPPER (II) ION | | Authors: | Takematsu, K, Zalis, S, Gray, H.B, Vlcek, A, Winkler, J.R, Williamson, H, Kaiser, J.T, Heyda, J, Hollas, D. | | Deposit date: | 2018-09-21 | | Release date: | 2019-02-20 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.893 Å) | | Cite: | Two Tryptophans Are Better Than One in Accelerating Electron Flow through a Protein.
ACS Cent Sci, 5, 2019
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6MLJ
 | | Crystal structure of the periplasmic Lysine-, Arginine-, Ornithine-binding protein (LAO) S70A mutant from Salmonella typhimurium complexed with arginine | | Descriptor: | ACETATE ION, ARGININE, Lysine/arginine/ornithine transport protein | | Authors: | Romero-Romero, S, Vergara, R, Espinoza-Perez, G, Rodriguez-Romero, A. | | Deposit date: | 2018-09-27 | | Release date: | 2019-08-07 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | The interplay of protein-ligand and water-mediated interactions shape affinity and selectivity in the LAO binding protein.
Febs J., 287, 2020
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8F5P
 | | Structure of Leishmania tarentolae IFT-A (state 2) | | Descriptor: | Intraflagellar transport protein 122 homolog, Intraflagellar transport protein 122B, putative, ... | | Authors: | Zhou, H, Brown, A. | | Deposit date: | 2022-11-14 | | Release date: | 2022-12-21 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Mechanism of IFT-A polymerization into trains for ciliary transport.
Cell, 185, 2022
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6OPS
 | | HIV-1 Protease NL4-3 WT in complex with darunavir | | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, Protease NL4-3 | | Authors: | Lockbaum, G.J, Henes, M, Kosovrasti, K, Leidner, F, Nachum, G.S, Nalivaika, E.A, Bolon, D.N.A, KurtYilmaz, N, Schiffer, C.A. | | Deposit date: | 2019-04-25 | | Release date: | 2019-09-04 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | Picomolar to Micromolar: Elucidating the Role of Distal Mutations in HIV-1 Protease in Conferring Drug Resistance.
Acs Chem.Biol., 14, 2019
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7N1H
 | | CryoEM structure of Venezuelan equine encephalitis virus VLP in complex with the LDLRAD3 receptor | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Capsid, ... | | Authors: | Basore, K, Nelson, C.A, Fremont, D.H, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2021-05-27 | | Release date: | 2021-10-13 | | Last modified: | 2021-11-10 | | Method: | ELECTRON MICROSCOPY (4.3 Å) | | Cite: | Structure of Venezuelan equine encephalitis virus in complex with the LDLRAD3 receptor.
Nature, 598, 2021
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6OPW
 | | HIV-1 Protease NL4-3 I13V, G16E, V32I, L33F, K45I, M46I, A71V, V82F, I84V Mutant in complex with darunavir | | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, Protease NL4-3, SULFATE ION | | Authors: | Lockbaum, G.J, Henes, M, Kosovrasti, K, Leidner, F, Nachum, G.S, Nalivaika, E.A, Bolon, D.N.A, KurtYilmaz, N, Schiffer, C.A. | | Deposit date: | 2019-04-25 | | Release date: | 2019-09-04 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Picomolar to Micromolar: Elucidating the Role of Distal Mutations in HIV-1 Protease in Conferring Drug Resistance.
Acs Chem.Biol., 14, 2019
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6OQT
 | | E. coli ATP synthase State 1c | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase epsilon chain, ... | | Authors: | Stewart, A.G, Sobti, M, Walshe, J.L. | | Deposit date: | 2019-04-29 | | Release date: | 2020-06-03 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Cryo-EM structures provide insight into how E. coli F1FoATP synthase accommodates symmetry mismatch.
Nat Commun, 11, 2020
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7NB4
 | | Structure of Mcl-1 complex with compound 1 | | Descriptor: | (2~{R})-2-[[5-(3-chloranyl-2-methyl-phenyl)-6-ethyl-thieno[2,3-d]pyrimidin-4-yl]amino]-3-phenyl-propanoic acid, 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, Induced myeloid leukemia cell differentiation protein Mcl-1, ... | | Authors: | Dokurno, P, Surgenor, A.E, Kotschy, A. | | Deposit date: | 2021-01-25 | | Release date: | 2021-10-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The Effect of Core Replacement on S64315, a Selective MCL-1 Inhibitor, and Its Analogues.
Acs Omega, 6, 2021
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7PKR
 | | Vault structure in primmed conformation | | Descriptor: | Major vault protein | | Authors: | Guerra, P, Gonzalez-Alamos, M, Llauro, A, Casanas, A, Querol-Audi, J, de Pablo, P, Verdaguer, N. | | Deposit date: | 2021-08-26 | | Release date: | 2022-03-16 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Symmetry disruption commits vault particles to disassembly.
Sci Adv, 8, 2022
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7B34
 | | MST3 in complex with compound MRIA12 | | Descriptor: | 1,2-ETHANEDIOL, 8-[(5-azanyl-1,3-dioxan-2-yl)methyl]-6-[2-chloranyl-4-(3-fluoranyl-6-methyl-pyridin-2-yl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one, Serine/threonine-protein kinase 24 | | Authors: | Tesch, R, Rak, M, Joerger, A.C, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2020-11-28 | | Release date: | 2020-12-16 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure-Based Design of Selective Salt-Inducible Kinase Inhibitors.
J.Med.Chem., 64, 2021
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8F5O
 | | Structure of Leishmania tarentolae IFT-A (state 1) | | Descriptor: | Intraflagellar transport protein 122 homolog, Intraflagellar transport protein 122B, putative, ... | | Authors: | Zhou, H, Brown, A. | | Deposit date: | 2022-11-14 | | Release date: | 2022-12-21 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Mechanism of IFT-A polymerization into trains for ciliary transport.
Cell, 185, 2022
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7NBA
 | | Plasmodium falciparum kinesin-5 motor domain bound to AMPPNP, complexed with 14 protofilament microtubule. | | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, Kinesin motor domain-containing protein,Kinesin motor domain-containing protein, MAGNESIUM ION, ... | | Authors: | Cook, A.D, Roberts, A, Atherton, J, Tewari, R, Topf, M, Moores, C.A. | | Deposit date: | 2021-01-25 | | Release date: | 2021-10-13 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | Cryo-EM structure of a microtubule-bound parasite kinesin motor and implications for its mechanism and inhibition.
J.Biol.Chem., 297, 2021
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7AKX
 | | Crystal structure of the viral rhodopsin OLPVR1 in P1 space group | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, EICOSANE, OLEIC ACID, ... | | Authors: | Kovalev, K, Zabelskii, D, Alekseev, A, Astashkin, R, Gordeliy, V. | | Deposit date: | 2020-10-02 | | Release date: | 2020-11-25 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Viral rhodopsins 1 are an unique family of light-gated cation channels.
Nat Commun, 11, 2020
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7AF1
 | | The structure of Artemis/SNM1C/DCLRE1C with 2 Zinc ions | | Descriptor: | 1,2-ETHANEDIOL, Protein artemis, ZINC ION | | Authors: | Yosaatmadja, Y, Goubin, S, Newman, J.A, Mukhopadhyay, S.M.M, Dannerfjord, A.A, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Bountra, C, Gileadi, O. | | Deposit date: | 2020-09-19 | | Release date: | 2020-10-28 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural and mechanistic insights into the Artemis endonuclease and strategies for its inhibition.
Nucleic Acids Res., 49, 2021
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7PKY
 | | Half-vault structure | | Descriptor: | Major vault protein | | Authors: | Guerra, P, Gonzalez-Alamos, M, Llauro, A, Casanas, A, Querol-Audi, J, de Pablo, P, Verdaguer, N. | | Deposit date: | 2021-08-27 | | Release date: | 2022-03-23 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (7.9 Å) | | Cite: | Symmetry disruption commits vault particles to disassembly.
Sci Adv, 8, 2022
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7AFU
 | | The structure of Artemis variant H33A | | Descriptor: | 1,2-ETHANEDIOL, Protein artemis, ZINC ION | | Authors: | Yosaatmadja, Y, Goubin, S, Newman, J.A, Mukhopadhyay, S.M.M, Dannerfjord, A.A, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Bountra, C, Gileadi, O. | | Deposit date: | 2020-09-20 | | Release date: | 2020-10-28 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | Structural and mechanistic insights into the Artemis endonuclease and strategies for its inhibition.
Nucleic Acids Res., 49, 2021
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6VBH
 | | Human XPG endonuclease catalytic domain | | Descriptor: | DNA repair protein complementing XP-G cells,Flap endonuclease 1, SULFATE ION | | Authors: | Tsutakawa, S.E, Arvai, A.S, Tainer, J.A. | | Deposit date: | 2019-12-18 | | Release date: | 2020-06-17 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.995 Å) | | Cite: | Human XPG nuclease structure, assembly, and activities with insights for neurodegeneration and cancer from pathogenic mutations.
Proc.Natl.Acad.Sci.USA, 117, 2020
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8ENB
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7NB8
 | | Plasmodium falciparum kinesin-5 motor domain without nucleotide, complexed with 14 protofilament microtubule. | | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, Kinesin-5, MAGNESIUM ION, ... | | Authors: | Cook, A.D, Roberts, A, Atherton, J, Tewari, R, Topf, M, Moores, C.A. | | Deposit date: | 2021-01-25 | | Release date: | 2021-10-13 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (4.4 Å) | | Cite: | Cryo-EM structure of a microtubule-bound parasite kinesin motor and implications for its mechanism and inhibition.
J.Biol.Chem., 297, 2021
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7AOI
 | | Trypanosoma brucei mitochondrial ribosome large subunit assembly intermediate | | Descriptor: | 50S ribosomal protein L13, 50S ribosomal protein L14, 50S ribosomal protein L17, ... | | Authors: | Tobiasson, V, Gahura, O, Aibara, S, Baradaran, R, Zikova, A, Amunts, A. | | Deposit date: | 2020-10-14 | | Release date: | 2020-12-02 | | Last modified: | 2021-03-24 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Interconnected assembly factors regulate the biogenesis of mitoribosomal large subunit.
Embo J., 40, 2021
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6OXX
 | | HIV-1 Protease NL4-3 WT in Complex with LR2-18 | | Descriptor: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-4-[({4-[(1R)-1,2-dihydroxyethyl]phenyl}sulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl}carbamate, Protease NL4-3 | | Authors: | Lockbaum, G.J, Rusere, L.N, Lee, S.K, Henes, M, Kosovrasti, K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A. | | Deposit date: | 2019-05-14 | | Release date: | 2019-08-21 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.962 Å) | | Cite: | HIV-1 Protease Inhibitors Incorporating Stereochemically Defined P2' Ligands To Optimize Hydrogen Bonding in the Substrate Envelope.
J.Med.Chem., 62, 2019
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6OVH
 | | Cryo-EM structure of Bimetallic dodecameric cage design 3 (BMC3) from cytochrome cb562 | | Descriptor: | ACETOHYDROXAMIC ACID, FE (III) ION, HEME C, ... | | Authors: | Golub, E, Subramanian, R.H, Yan, X, Alberstein, R.G, Tezcan, F.A. | | Deposit date: | 2019-05-07 | | Release date: | 2020-01-29 | | Last modified: | 2020-02-19 | | Method: | ELECTRON MICROSCOPY (2.6 Å) | | Cite: | Constructing protein polyhedra via orthogonal chemical interactions.
Nature, 578, 2020
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