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8JC8
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BU of 8jc8 by Molmil
Cryo-EM structure of the LH1 complex from thermochromatium tepidum
Descriptor: BACTERIOCHLOROPHYLL A, CALCIUM ION, LH1 alpha polypeptide, ...
Authors:Wang, G.-L, Yan, Y.-H, Yu, L.-J.
Deposit date:2023-05-10
Release date:2024-11-13
Method:ELECTRON MICROSCOPY (3.11 Å)
Cite:Molecular structure and characterization of the Thermochromatium tepidum light-harvesting 1 photocomplex produced in a foreign host.
Biochim Biophys Acta Bioenerg, 1865, 2024
6NTC
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BU of 6ntc by Molmil
Crystal Structure of G12V HRas-GppNHp bound in complex with the engineered RBD variant 1 of CRAF Kinase protein
Descriptor: GLYCEROL, GTPase HRas, MAGNESIUM ION, ...
Authors:Maisonneuve, P, Kurinov, I, Wiechmann, S, Ernst, A, Sicheri, F.
Deposit date:2019-01-28
Release date:2020-03-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Conformation-specific inhibitors of activated Ras GTPases reveal limited Ras dependency of patient-derived cancer organoids.
J.Biol.Chem., 295, 2020
8JC9
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BU of 8jc9 by Molmil
Cryo-EM structure of the LH1 complex from thermochromatium tepidum
Descriptor: BACTERIOCHLOROPHYLL A, CALCIUM ION, DODECANE, ...
Authors:Wang, G.-L, Yan, Y.-H, Yu, L.-J.
Deposit date:2023-05-10
Release date:2024-11-13
Method:ELECTRON MICROSCOPY (3.32 Å)
Cite:Molecular structure and characterization of the Thermochromatium tepidum light-harvesting 1 photocomplex produced in a foreign host.
Biochim Biophys Acta Bioenerg, 1865, 2024
9K92
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BU of 9k92 by Molmil
Cryo-EM structure of human signal peptide peptidase like 2A (SPPL2a)
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Signal peptide peptidase-like 2A
Authors:Zhou, R, Huang, G, Guo, X, Wang, J, Ge, X, Shi, Y.
Deposit date:2024-10-25
Release date:2025-10-29
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structural insights into human signal peptide peptidase
To Be Published
7TFQ
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BU of 7tfq by Molmil
Crystal Structure of the Pirin Family Protein Redox-sensitive Bicupin YhaK Bound to Copper Ion from Yersinia pestis
Descriptor: 1,2-ETHANEDIOL, COPPER (II) ION, FORMIC ACID, ...
Authors:Kim, Y, Chhor, G, Endres, M, Babnigg, G, Schneewind, O, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2022-01-07
Release date:2022-01-19
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal Structure of the Pirin Family Protein Redox-sensitive Bicupin YhaK Bound to Copper Ion from Yersinia pestis
To Be Published
8OIG
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BU of 8oig by Molmil
Crystal Structure of Staphopain C from Staphylococcus aureus
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ...
Authors:McEwen, A.G, Magoch, M, Napolitano, V, Dubin, G, Wladyka, B.
Deposit date:2023-03-22
Release date:2023-06-21
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Crystal Structure of Staphopain C from Staphylococcus aureus.
Molecules, 28, 2023
8OW3
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BU of 8ow3 by Molmil
Crystal structure of wild-type c-MET bound by compound 2
Descriptor: 5-[3,5-bis(fluoranyl)phenyl]-1-[(1S)-1-phenylethyl]pyrimidine-2,4-dione, Hepatocyte growth factor receptor
Authors:Collie, G.W.
Deposit date:2023-04-26
Release date:2023-07-05
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Discovery and Optimization of the First ATP Competitive Type-III c-MET Inhibitor.
J.Med.Chem., 66, 2023
7BJI
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BU of 7bji by Molmil
Crystal structure of the Danio rerio centrosomal protein Cep135 coiled-coil fragment 64-190
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Centrosomal protein of 135 kDa, ...
Authors:Li, Q, Hatzopoulos, G, Iller, O, Vakonakis, I.
Deposit date:2021-01-14
Release date:2021-01-27
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:Crystal structure of the Danio rerio centrosomal protein Cep135 coiled-coil fragment 64-190
To Be Published
8OV7
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BU of 8ov7 by Molmil
Crystal structure of D1228V c-MET bound by compound 10
Descriptor: 5-[3,5-bis(fluoranyl)phenyl]-1-[(1S)-1-[3-(1H-imidazol-5-yl)phenyl]ethyl]pyrimidine-2,4-dione, Hepatocyte growth factor receptor
Authors:Collie, G.W.
Deposit date:2023-04-25
Release date:2023-07-05
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Discovery and Optimization of the First ATP Competitive Type-III c-MET Inhibitor.
J.Med.Chem., 66, 2023
7Q5W
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BU of 7q5w by Molmil
The tandem SH2 domains of SYK with a bound TYROBP diphospho-ITAM peptide
Descriptor: 1,2-ETHANEDIOL, 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, DI(HYDROXYETHYL)ETHER, ...
Authors:Bradshaw, W.J, Katis, V.L, Chen, Z, Bountra, C, von Delft, F, Gileadi, O, Brennan, P.E.
Deposit date:2021-11-04
Release date:2021-11-24
Last modified:2025-01-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The mechanism of allosteric activation of SYK kinase derived from multiple phospho-ITAM-bound structures.
Structure, 32, 2024
8H5V
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BU of 8h5v by Molmil
Crystal structure of the FleQ domain of Vibrio cholerae FlrA
Descriptor: 1,2-ETHANEDIOL, SULFATE ION, flagellar regulatory protein A
Authors:Dasgupta, J, Chakraborty, S.
Deposit date:2022-10-14
Release date:2022-11-02
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:The N-terminal FleQ domain of the Vibrio cholerae flagellar master regulator FlrA plays pivotal structural roles in stabilizing its active state.
Febs Lett., 597, 2023
7BRA
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BU of 7bra by Molmil
Bacillus subtilis IRG1
Descriptor: 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, Bacillus subtilis IRG1, SULFATE ION
Authors:Park, H.H, Chun, H.L.
Deposit date:2020-03-27
Release date:2021-02-03
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.785 Å)
Cite:Enzymatic reaction mechanism of cis-aconitate decarboxylase based on the crystal structure of IRG1 from Bacillus subtilis.
Sci Rep, 10, 2020
6X1Z
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BU of 6x1z by Molmil
Mre11 dimer in complex with small molecule modulator PFMJ
Descriptor: (5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, MAGNESIUM ION, ...
Authors:Arvai, A.S, Moiani, D, Tainer, J.A.
Deposit date:2020-05-19
Release date:2020-06-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Fragment- and structure-based drug discovery for developing therapeutic agents targeting the DNA Damage Response.
Prog.Biophys.Mol.Biol., 163, 2021
8V2H
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BU of 8v2h by Molmil
Cryo-EM structure of the KCa2.2 channel bound to inhibitor AP14145.
Descriptor: CALCIUM ION, Calmodulin-1, POTASSIUM ION, ...
Authors:Nam, Y.W, Zhang, M.
Deposit date:2023-11-22
Release date:2025-04-23
Last modified:2025-05-07
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Cryo-EM structures of the small-conductance Ca 2+ -activated K Ca 2.2 channel.
Nat Commun, 16, 2025
8V3G
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BU of 8v3g by Molmil
Cryo-EM structure of the KCa2.2 channel with inhibitor UCL 1684.
Descriptor: CALCIUM ION, Calmodulin-1, POTASSIUM ION, ...
Authors:Nam, Y.W, Zhang, M.
Deposit date:2023-11-27
Release date:2025-04-23
Last modified:2025-05-07
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Cryo-EM structures of the small-conductance Ca 2+ -activated K Ca 2.2 channel.
Nat Commun, 16, 2025
6XQQ
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BU of 6xqq by Molmil
Structure of human D462-E4 TCR
Descriptor: GLYCEROL, TRAV12-2 alpha chain, TRBV29-1
Authors:Awad, W, Rossjohn, J.
Deposit date:2020-07-10
Release date:2020-08-19
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:Atypical TRAV1-2 - T cell receptor recognition of the antigen-presenting molecule MR1.
J.Biol.Chem., 295, 2020
8UKI
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BU of 8uki by Molmil
Crystal structure of 04_A06 Fab
Descriptor: 04_A06 Fab Heavy Chain, 04_A06 Fab Light Chain
Authors:DeLaitsch, A.T, Gristick, H.B, Bjorkman, P.J.
Deposit date:2023-10-13
Release date:2025-04-16
Last modified:2025-10-29
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Profiling of HIV-1 elite neutralizer cohort reveals a CD4bs bnAb for HIV-1 prevention and therapy.
Nat.Immunol., 2025
8P9C
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BU of 8p9c by Molmil
Crystal structure of p63-p73 heterotetramer (tetramerisation domain) in complex with darpin 1810 F11
Descriptor: 1,2-ETHANEDIOL, Darpin 1810 F11, Tumor protein 63, ...
Authors:Chaikuad, A, Strubel, A, Doetsch, V, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2023-06-05
Release date:2023-11-08
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:DARPins detect the formation of hetero-tetramers of p63 and p73 in epithelial tissues and in squamous cell carcinoma.
Cell Death Dis, 14, 2023
6WFN
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BU of 6wfn by Molmil
Crystal structure of human Naa50 in complex with AcCoA and an inhibitor (compound 4a) identified using DNA encoded library technology
Descriptor: (4S)-1-methyl-N-{(3S,5S)-5-[4-(methylcarbamoyl)-1,3-thiazol-2-yl]-1-[4-(1H-tetrazol-5-yl)benzene-1-carbonyl]pyrrolidin-3-yl}-2,6-dioxohexahydropyrimidine-4-carboxamide, ACETYL COENZYME *A, N-alpha-acetyltransferase 50
Authors:Greasley, S.E, Feng, J, Deng, Y.-L, Stewart, A.E.
Deposit date:2020-04-03
Release date:2020-07-01
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.07 Å)
Cite:Characterization of SpecificN-alpha-Acetyltransferase 50 (Naa50) Inhibitors Identified Using a DNA Encoded Library.
Acs Med.Chem.Lett., 11, 2020
8V1V
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BU of 8v1v by Molmil
Human DNA Ligase I F872L bound to adenylated nicked DNA
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ADENOSINE MONOPHOSPHATE, DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*TP*C)-3'), ...
Authors:Tumbale, P.P, Williams, R.S.
Deposit date:2023-11-21
Release date:2025-07-02
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Human DNA Ligase I F872L bound to adenylated nicked DNA
To Be Published
7SV5
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BU of 7sv5 by Molmil
Crystal structure of SpaA-SLH/G109A in complex with 4,6-Pyr-beta-D-ManNAc-(1->4)-beta-D-GlcNAcOMe
Descriptor: GLYCEROL, Surface (S-) layer glycoprotein, methyl 2-acetamido-4-O-{2-acetamido-4,6-O-[(1S)-1-carboxyethylidene]-2-deoxy-beta-D-mannopyranosyl}-2-deoxy-beta-D-glucopyranoside
Authors:Legg, M.S.G, Evans, S.V.
Deposit date:2021-11-18
Release date:2022-03-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:The S-layer homology domains of Paenibacillus alvei surface protein SpaA bind to cell wall polysaccharide through the terminal monosaccharide residue.
J.Biol.Chem., 298, 2022
8T68
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BU of 8t68 by Molmil
Crystal Structure of the SET Domain of Human Histone-Lysine N-Methyltransferase SUV420H1 in complex with RQ3-111
Descriptor: 6,7-dichloro-N-[(3R)-oxolan-3-yl]-4-(pyridin-4-yl)phthalazin-1-amine, Histone-lysine N-methyltransferase KMT5B, S-ADENOSYLMETHIONINE, ...
Authors:Zeng, H, Dong, A, Brown, P.J, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
Deposit date:2023-06-15
Release date:2024-11-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structure of the SET Domain of Human Histone-Lysine N-Methyltransferase SUV420H1 in complex with RQ3-111.
To be published
8X06
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BU of 8x06 by Molmil
Cryo-EM structure of the IR/IGF-I complex, conformation 1
Descriptor: Insulin-like growth factor I, Isoform Short of Insulin receptor
Authors:Xi, Z.
Deposit date:2023-11-03
Release date:2024-11-06
Last modified:2025-06-25
Method:ELECTRON MICROSCOPY (3.24 Å)
Cite:Cryo-EM structure of the IR/IGF-I complex, conformation 1
To Be Published
6WGX
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BU of 6wgx by Molmil
Cocrystal of BRD4(D1) with a selective inhibitor
Descriptor: 1,2-ETHANEDIOL, 4-(1-{1-[2-(dimethylamino)ethyl]piperidin-4-yl}-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-5-yl)-N-(3,5-dimethylphenyl)pyrimidin-2-amine, Bromodomain-containing protein 4
Authors:Johnson, J.A, Cui, H, Shi, K, Aihara, H, Pomerantz, W.C.K.
Deposit date:2020-04-06
Release date:2020-10-07
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Selective N-Terminal BET Bromodomain Inhibitors by Targeting Non-Conserved Residues and Structured Water Displacement*.
Angew.Chem.Int.Ed.Engl., 60, 2021
6WJP
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BU of 6wjp by Molmil
Crystal structure of Arginine Repressor P115Q mutant from the pathogenic bacterium Corynebacterium pseudotuberculosis bound to arginine
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, ARGININE, ...
Authors:Nascimento, A.F.Z, Hernandez-Gonzalez, J.E, de Morais, M.A.B, Murakami, M.T, Carareto, C.M.A, Arni, R.K, Mariutti, R.B.
Deposit date:2020-04-14
Release date:2020-04-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.701 Å)
Cite:A single P115Q mutation modulates specificity in the Corynebacterium pseudotuberculosis arginine repressor.
Biochim Biophys Acta Gen Subj, 1864, 2020

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