3O4K
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![BU of 3o4k by Molmil](/molmil-images/mine/3o4k) | Crystal structure of the complex of peptidoglycan recognition protein (PGRP-S) and lipoteichoic acid at 2.1 A resolution | Descriptor: | (2S)-1-({3-O-[2-(acetylamino)-4-amino-2,4,6-trideoxy-beta-D-galactopyranosyl]-alpha-D-glucopyranosyl}oxy)-3-(heptanoyloxy)propan-2-yl (7Z)-pentadec-7-enoate, GLYCEROL, L(+)-TARTARIC ACID, ... | Authors: | Sharma, P, Dube, D, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. | Deposit date: | 2010-07-27 | Release date: | 2010-08-25 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | Structural basis of recognition of pathogen-associated molecular patterns and inhibition of proinflammatory cytokines by camel peptidoglycan recognition protein J.Biol.Chem., 286, 2011
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7AFD
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![BU of 7afd by Molmil](/molmil-images/mine/7afd) | Bacterial 30S ribosomal subunit assembly complex state A (head domain) | Descriptor: | 16SrRNA of the head domain (residue C931 to G1386), 30S ribosomal protein S10, 30S ribosomal protein S13, ... | Authors: | Schedlbauer, A, Iturrioz, I, Ochoa-Lizarralde, B, Diercks, T, Kaminishi, T, Capuni, R, Astigarraga, E, Gil-Carton, D, Fucini, P, Connell, S. | Deposit date: | 2020-09-19 | Release date: | 2021-07-07 | Last modified: | 2024-04-24 | Method: | ELECTRON MICROSCOPY (3.44 Å) | Cite: | A conserved rRNA switch is central to decoding site maturation on the small ribosomal subunit. Sci Adv, 7, 2021
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7AFL
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![BU of 7afl by Molmil](/molmil-images/mine/7afl) | Bacterial 30S ribosomal subunit assembly complex state D (multibody refinement for body domain of 30S ribosome) | Descriptor: | 16SrRNA, 30S ribosomal protein S11, 30S ribosomal protein S12, ... | Authors: | Schedlbauer, A, Iturrioz, I, Ochoa-Lizarralde, B, Diercks, T, Kaminishi, T, Capuni, R, Astigarraga, E, Gil-Carton, D, Fucini, P, Connell, S. | Deposit date: | 2020-09-19 | Release date: | 2021-07-07 | Last modified: | 2024-04-24 | Method: | ELECTRON MICROSCOPY (4.2 Å) | Cite: | A conserved rRNA switch is central to decoding site maturation on the small ribosomal subunit. Sci Adv, 7, 2021
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7B7Z
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![BU of 7b7z by Molmil](/molmil-images/mine/7b7z) | DeAMPylation complex of monomeric FICD and AMPylated BiP (state 1) | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ADENOSINE MONOPHOSPHATE, Endoplasmic reticulum chaperone BiP, ... | Authors: | Perera, L.A, Ron, D. | Deposit date: | 2020-12-12 | Release date: | 2021-07-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structures of a deAMPylation complex rationalise the switch between antagonistic catalytic activities of FICD. Nat Commun, 12, 2021
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7AFA
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![BU of 7afa by Molmil](/molmil-images/mine/7afa) | Bacterial 30S ribosomal subunit assembly complex state F (head domain) | Descriptor: | 16SrRNA (head domain of the 30S ribosome), 30S ribosomal protein S10, 30S ribosomal protein S13, ... | Authors: | Schedlbauer, A, Iturrioz, I, Ochoa-Lizarralde, B, Kaminishi, T, Diercks, T, Capuni, R, Astigarraga, E, Gil-Carton, D, Fucini, P, Connell, S. | Deposit date: | 2020-09-19 | Release date: | 2021-07-07 | Last modified: | 2024-04-24 | Method: | ELECTRON MICROSCOPY (2.95 Å) | Cite: | A conserved rRNA switch is central to decoding site maturation on the small ribosomal subunit. Sci Adv, 7, 2021
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4ML3
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![BU of 4ml3 by Molmil](/molmil-images/mine/4ml3) | X-ray structure of ComE D58A REC domain from Streptococcus pneumoniae | Descriptor: | Response regulator | Authors: | Boudes, M, Sanchez, D, Durand, D, Graille, M, van Tilbeurgh, H, Quevillon-Cheruel, S. | Deposit date: | 2013-09-06 | Release date: | 2014-02-19 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | Structural insights into the dimerization of the response regulator ComE from Streptococcus pneumoniae. Nucleic Acids Res., 42, 2014
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7B80
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![BU of 7b80 by Molmil](/molmil-images/mine/7b80) | DeAMPylation complex of monomeric FICD and AMPylated BiP (state 2) | Descriptor: | 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, ADENOSINE MONOPHOSPHATE, DI(HYDROXYETHYL)ETHER, ... | Authors: | Perera, L.A, Ron, D. | Deposit date: | 2020-12-12 | Release date: | 2021-07-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Structures of a deAMPylation complex rationalise the switch between antagonistic catalytic activities of FICD. Nat Commun, 12, 2021
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7AF5
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![BU of 7af5 by Molmil](/molmil-images/mine/7af5) | Bacterial 30S ribosomal subunit assembly complex state I (head domain) | Descriptor: | 16SrRNA (head domain of the 30S ribosome), 30S ribosomal protein S10, 30S ribosomal protein S13, ... | Authors: | Schedlbauer, A, Iturrioz, I, Ochoa-Lizarralde, B, Diercks, T, Lopez-Alonso, J, Kaminishi, T, Capuni, R, Astigarraga, E, Gil-Carton, D, Fucini, P, Connell, S. | Deposit date: | 2020-09-19 | Release date: | 2021-07-07 | Last modified: | 2024-04-24 | Method: | ELECTRON MICROSCOPY (2.96 Å) | Cite: | A conserved rRNA switch is central to decoding site maturation on the small ribosomal subunit. Sci Adv, 7, 2021
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7AU5
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![BU of 7au5 by Molmil](/molmil-images/mine/7au5) | Tubulin-noscapine-analogue-14e complex | Descriptor: | (5~{R})-5-[(1~{S})-4,5-dimethoxy-1,3-dihydro-2-benzofuran-1-yl]-~{N}-ethyl-4-methoxy-7,8-dihydro-5~{H}-[1,3]dioxolo[4,5-g]isoquinoline-6-carboxamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | Authors: | Yong, C, Devine, S.M, Abel, A.-C, Muthiah, D, Gao, X, Callaghan, R, Capuano, B, Steinmetz, M.O, Prota, A.E, Scammels, P.J. | Deposit date: | 2020-11-02 | Release date: | 2021-07-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | 1,3-Benzodioxole-Modified Noscapine Analogues: Synthesis, Antiproliferative Activity, and Tubulin-Bound Structure. Chemmedchem, 16, 2021
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8DB3
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![BU of 8db3 by Molmil](/molmil-images/mine/8db3) | Crystal structure of KaiC with truncated C-terminal coiled-coil domain | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Circadian clock protein KaiC | Authors: | Padua, R.A.P, Grant, T, Pitsawong, W, Hoemberger, M.S, Otten, R, Bradshaw, N, Grigorieff, N, Kern, D. | Deposit date: | 2022-06-14 | Release date: | 2023-03-22 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | From primordial clocks to circadian oscillators. Nature, 616, 2023
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7AFO
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![BU of 7afo by Molmil](/molmil-images/mine/7afo) | Bacterial 30S ribosomal subunit assembly complex state B (body domain) | Descriptor: | 16SrRNA (body domain of the 30S ribosome), 30S ribosomal protein S11, 30S ribosomal protein S12, ... | Authors: | Schedlbauer, A, Iturrioz, I, Ochoa-Lizarralde, B, Diercks, T, Kaminishi, T, Capuni, R, Astigarraga, E, Gil-Carton, D, Fucini, P, Connell, S. | Deposit date: | 2020-09-19 | Release date: | 2021-07-07 | Last modified: | 2024-04-24 | Method: | ELECTRON MICROSCOPY (3.93 Å) | Cite: | A conserved rRNA switch is central to decoding site maturation on the small ribosomal subunit. Sci Adv, 7, 2021
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7AFH
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![BU of 7afh by Molmil](/molmil-images/mine/7afh) | Bacterial 30S ribosomal subunit assembly complex state C (head domain) | Descriptor: | 16SrRNA (head domain of the 30S ribosome), 30S ribosomal protein S10, 30S ribosomal protein S13, ... | Authors: | Schedlbauer, A, Iturrioz, I, Ochoa-Lizarralde, B, Diercks, T, Kaminishi, T, Capuni, R, Astigarraga, E, Gil-Carton, D, Fucini, P, Connell, S. | Deposit date: | 2020-09-19 | Release date: | 2021-07-07 | Last modified: | 2024-04-24 | Method: | ELECTRON MICROSCOPY (3.59 Å) | Cite: | A conserved rRNA switch is central to decoding site maturation on the small ribosomal subunit. Sci Adv, 7, 2021
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7AFK
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![BU of 7afk by Molmil](/molmil-images/mine/7afk) | Bacterial 30S ribosomal subunit assembly complex state D (head domain) | Descriptor: | 16SrRNA (head domain of the 30S ribosome), 30S ribosomal protein S10, 30S ribosomal protein S13, ... | Authors: | Schedlbauer, A, Iturrioz, I, Ochoa-Lizarralde, B, Diercks, T, Kaminishi, T, Capuni, R, Astigarraga, E, Gil-Carton, D, Fucini, P, Connell, S. | Deposit date: | 2020-09-19 | Release date: | 2021-07-07 | Last modified: | 2024-04-24 | Method: | ELECTRON MICROSCOPY (4.9 Å) | Cite: | A conserved rRNA switch is central to decoding site maturation on the small ribosomal subunit. Sci Adv, 7, 2021
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8Q85
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![BU of 8q85 by Molmil](/molmil-images/mine/8q85) | |
8DBA
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![BU of 8dba by Molmil](/molmil-images/mine/8dba) | Crystal structure of dodecameric KaiC | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Circadian clock protein KaiC, MAGNESIUM ION | Authors: | Padua, R.A.P, Grant, T, Pitsawong, W, Hoemberger, M.S, Otten, R, Bradshaw, N, Grigorieff, N, Kern, D. | Deposit date: | 2022-06-14 | Release date: | 2023-03-22 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | From primordial clocks to circadian oscillators. Nature, 616, 2023
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8Q84
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![BU of 8q84 by Molmil](/molmil-images/mine/8q84) | |
8Q9S
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![BU of 8q9s by Molmil](/molmil-images/mine/8q9s) | STRUCTURE OF PROTEIN KINASE CK2 CATALYTIC SUBUNIT (ISOFORM CK2ALPHA'; CSNK2A2 GENE PRODUCT) IN COMPLEX WITH THE INHIBITOR SGC-CK2-1 | Descriptor: | 1,2-ETHANEDIOL, Casein kinase II subunit alpha', ~{N}-[5-[[3-cyano-7-(cyclopropylamino)-3~{H}-pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-methyl-phenyl]propanamide | Authors: | Werner, C, Lindenblatt, D, Niefind, K. | Deposit date: | 2023-08-21 | Release date: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.352 Å) | Cite: | Discovery and Exploration of Protein Kinase CK2 Binding Sites Using CK2alpha Cys336Ser as an Exquisite Crystallographic Tool Kinases Phosphatases, 2023
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8CW2
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![BU of 8cw2 by Molmil](/molmil-images/mine/8cw2) | Crystal structure of TDP1 complexed with compound XZ760 | Descriptor: | 1,2-ETHANEDIOL, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, 4-({(4R)-7-phenyl-2-[4-(2-{[4-(pyridin-2-yl)phenyl]methoxy}ethyl)phenyl]imidazo[1,2-a]pyridin-3-yl}amino)benzene-1,2-dicarboxylic acid, ... | Authors: | Lountos, G.T, Zhao, X.Z, Wang, W, Kiselev, E, Tropea, J.E, Needle, D, Pommier, Y, Burke, T.R. | Deposit date: | 2022-05-18 | Release date: | 2023-04-12 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.811 Å) | Cite: | Identification of multidentate tyrosyl-DNA phosphodiesterase 1 (TDP1) inhibitors that simultaneously access the DNA, protein and catalytic-binding sites by oxime diversification. Rsc Chem Biol, 4, 2023
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8CVQ
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![BU of 8cvq by Molmil](/molmil-images/mine/8cvq) | Crystal structure of TDP1 complexed with compound XZ761 | Descriptor: | 1,2-ETHANEDIOL, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, 4-{[(4S)-2,7-diphenylimidazo[1,2-a]pyridin-3-yl]amino}benzene-1,2-dicarboxylic acid, ... | Authors: | Lountos, G.T, Zhao, X.Z, Wang, W, Kiselev, E, Tropea, J.E, Needle, D, Pommier, Y, Burke, T.R. | Deposit date: | 2022-05-18 | Release date: | 2023-04-12 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Identification of multidentate tyrosyl-DNA phosphodiesterase 1 (TDP1) inhibitors that simultaneously access the DNA, protein and catalytic-binding sites by oxime diversification. Rsc Chem Biol, 4, 2023
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8Q93
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![BU of 8q93 by Molmil](/molmil-images/mine/8q93) | Crystal structure of the SARS-COV-2 RBD with neutralizing-VHHs Re30H02 and Re21D01 | Descriptor: | Nanobody Re21D01, Nanobody Re30H02, Spike protein S1 | Authors: | Aksu, M, Guttler, T, Rymarenko, O, Gorlich, D. | Deposit date: | 2023-08-19 | Release date: | 2023-12-20 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Nanobodies to multiple spike variants and inhalation of nanobody-containing aerosols neutralize SARS-CoV-2 in cell culture and hamsters. Antiviral Res., 221, 2023
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8Q95
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![BU of 8q95 by Molmil](/molmil-images/mine/8q95) | Crystal structure of the SARS-CoV-2 BA.1 RBD with neutralizing-VHHs Ma16B06 and Ma3F05 | Descriptor: | Nanobody Ma16B06, Nanobody Ma3F05, Spike protein S1 | Authors: | Aksu, M, Rymarenko, O, Guttler, T, Gorlich, D. | Deposit date: | 2023-08-19 | Release date: | 2023-12-20 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Nanobodies to multiple spike variants and inhalation of nanobody-containing aerosols neutralize SARS-CoV-2 in cell culture and hamsters. Antiviral Res., 221, 2023
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8PQE
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![BU of 8pqe by Molmil](/molmil-images/mine/8pqe) | c-KIT kinase domain in complex with avapritinib derivative 11 | Descriptor: | 1,2-ETHANEDIOL, BROMIDE ION, CHLORIDE ION, ... | Authors: | Teuber, A, Niggenaber, J, Mueller, M.P, Rauh, D. | Deposit date: | 2023-07-11 | Release date: | 2023-12-27 | Last modified: | 2024-08-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Avapritinib-based SAR studies unveil a binding pocket in KIT and PDGFRA. Nat Commun, 15, 2024
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8Q94
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![BU of 8q94 by Molmil](/molmil-images/mine/8q94) | |
8PQC
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![BU of 8pqc by Molmil](/molmil-images/mine/8pqc) | c-KIT kinase domain in complex with avapritinib derivative 9 | Descriptor: | (1~{S})-~{N}-ethyl-1-(4-fluorophenyl)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethanamine, Mast/stem cell growth factor receptor Kit | Authors: | Teuber, A, Kleinboelting, S.B, Mueller, M.P, Rauh, D. | Deposit date: | 2023-07-11 | Release date: | 2023-12-27 | Last modified: | 2024-08-07 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Avapritinib-based SAR studies unveil a binding pocket in KIT and PDGFRA. Nat Commun, 15, 2024
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8PQH
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![BU of 8pqh by Molmil](/molmil-images/mine/8pqh) | PDGFRA T674I mutant kinase domain in complex with avapritinib | Descriptor: | Avapritinib, DI(HYDROXYETHYL)ETHER, Platelet-derived growth factor receptor alpha | Authors: | Teuber, A, Kleinboelting, S, Mueller, M.P, Rauh, D. | Deposit date: | 2023-07-11 | Release date: | 2023-12-27 | Last modified: | 2024-08-07 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Avapritinib-based SAR studies unveil a binding pocket in KIT and PDGFRA. Nat Commun, 15, 2024
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