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5W1W
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BU of 5w1w by Molmil
Structure of the HLA-E-VMAPRTLVL/GF4 TCR complex
Descriptor: Beta-2-microglobulin, GF4 T cell receptor alpha chain, GF4 T cell receptor beta chain, ...
Authors:Gras, S, Walpole, N, Farenc, C, Rossjohn, J.
Deposit date:2017-06-05
Release date:2017-10-04
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:A conserved energetic footprint underpins recognition of human leukocyte antigen-E by two distinct alpha beta T cell receptors.
J. Biol. Chem., 292, 2017
4UMA
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BU of 4uma by Molmil
Structural analysis of substrate-mimicking inhibitors in complex with Neisseria meningitidis 3 deoxy D arabino heptulosonate 7 phosphate synthase the importance of accommodating the active site water
Descriptor: (E)-2-METHYL-3-PHOSPHONOACRYLATE, MANGANESE (II) ION, PHOSPHO-2-DEHYDRO-3-DEOXYHEPTONATE ALDOLASE
Authors:Heyes, L.C, Reichau, S, Cross, P.J, Parker, E.J.
Deposit date:2014-05-16
Release date:2014-10-08
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Structural Analysis of Substrate-Mimicking Inhibitors in Complex with Neisseria Meningitidis 3-Deoxy-D-Arabino-Heptulosonate 7-Phosphate Synthase - the Importance of Accommodating the Active Site Water.
Bioorg.Chem., 57, 2014
8QQB
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BU of 8qqb by Molmil
Crystal structure of protein kinase CK2 catalytic subunit in complex with a Dibromo Dihydro Dibenzofuranone derivative
Descriptor: (4~{Z})-7,9-bis(bromanyl)-8-oxidanyl-4-(phenylazanylmethylidene)-1,2-dihydrodibenzofuran-3-one, 1,2-ETHANEDIOL, Casein kinase II subunit alpha, ...
Authors:Werner, C, Niefind, K, Jose, J.
Deposit date:2023-10-04
Release date:2024-10-16
Last modified:2025-01-01
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Discovery of 7,9-Dibromo-dihydrodibenzofuran as a Potent Casein Kinase 2 (CK2) Inhibitor: Synthesis, Biological Evaluation, and Structural Studies on E- / Z -Isomers.
Acs Pharmacol Transl Sci, 7, 2024
9DZP
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BU of 9dzp by Molmil
Photoactivation in Bacteriophytochromes, reference (dark) structure for the 100 ps time point
Descriptor: 3-[(2Z)-2-({3-(2-carboxyethyl)-5-[(E)-(4-ethenyl-3-methyl-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl}methylidene)-5-{(Z)-[(3E,4S)-3-ethylidene-4-methyl-5-oxopyrrolidin-2-ylidene]methyl}-4-methyl-2H-pyrrol-3-yl]propanoic acid, BENZAMIDINE, Photoreceptor-histidine kinase BphP
Authors:Malla, T.N, Stojkovic, E.A, Schmidt, M.
Deposit date:2024-10-16
Release date:2025-10-08
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Observation of early events in the photoactivation of Myxobacterial phytochrome using time-resolved serial femtosecond crystallography.
Commun Chem, 8, 2025
9DZA
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BU of 9dza by Molmil
Photoactivation in Bacteriophytochrome, high resolution cryo structure in the dark.
Descriptor: 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, 3-[(2Z)-2-({3-(2-carboxyethyl)-5-[(E)-(4-ethenyl-3-methyl-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl}methylidene)-5-{(Z)-[(3E,4S)-3-ethylidene-4-methyl-5-oxopyrrolidin-2-ylidene]methyl}-4-methyl-2H-pyrrol-3-yl]propanoic acid, Photoreceptor-histidine kinase BphP
Authors:Malla, T.N, Stojkovic, E.A, Schmidt, M.
Deposit date:2024-10-15
Release date:2025-10-08
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Observation of early events in the photoactivation of Myxobacterial phytochrome using time-resolved serial femtosecond crystallography.
Commun Chem, 8, 2025
9IY2
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BU of 9iy2 by Molmil
Immune complex of HEV-E2s, nAb 8C11 and nAb 8H3
Descriptor: Heavy Chain of mAb 8C11, Heavy Chain of mAb 8H3, Light Chain of mAb 8C11, ...
Authors:Minghua, Z, Lizhi, Z, Ying, G, Shaowei, L.
Deposit date:2024-07-29
Release date:2024-08-28
Last modified:2025-09-10
Method:X-RAY DIFFRACTION (3.476 Å)
Cite:Structural basis for the synergetic neutralization of hepatitis E virus by antibody-antibody interaction.
Proc.Natl.Acad.Sci.USA, 121, 2024
4RYK
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BU of 4ryk by Molmil
Crystal structure of a putative transcriptional regulator from Listeria monocytogenes EGD-e
Descriptor: DI(HYDROXYETHYL)ETHER, L(+)-TARTARIC ACID, Lmo0325 protein, ...
Authors:Filippova, E.V, Wawrzak, Z, Minasov, G, Kiryukhina, O, Jedrzejczak, R, Joachimiak, A, Anderson, W.F, Midwest Center for Structural Genomics (MCSG)
Deposit date:2014-12-15
Release date:2015-01-07
Last modified:2024-11-27
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Crystal structure of a putative transcriptional regulator from Listeria monocytogenes EGD-e
To be Published
8UIY
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BU of 8uiy by Molmil
In situ human P-Z state 80S ribosome
Descriptor: 18S rRNA, 28S rRNA, 40S ribosomal protein S10, ...
Authors:Wei, Z, Yong, X.
Deposit date:2023-10-10
Release date:2025-04-09
Last modified:2025-08-20
Method:ELECTRON MICROSCOPY (2.97 Å)
Cite:In situ human P-Z state 80S ribosome
To Be Published
8UJK
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BU of 8ujk by Molmil
In situ HHT and CHX treated A-P-Z state 80S ribosome
Descriptor: (3beta)-O~3~-[(2R)-2,6-dihydroxy-2-(2-methoxy-2-oxoethyl)-6-methylheptanoyl]cephalotaxine, 18S rRNA, 28S rRNA, ...
Authors:Wei, Z, Yong, X.
Deposit date:2023-10-11
Release date:2025-04-16
Method:ELECTRON MICROSCOPY (3.54 Å)
Cite:In situ HHT and CHX treated human A-P-Z state 80S ribosome
To Be Published
6FJM
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BU of 6fjm by Molmil
tubulin-Disorazole Z complex
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, Disorazole Z, ...
Authors:Menchon, G, Prota, A.E, Lucena Agell, D, Bucher, P, Jansen, R, Irschik, H, Mueller, R, Paterson, I, Diaz, J.F, Altmann, K.-H, Steinmetz, M.O.
Deposit date:2018-01-22
Release date:2018-05-30
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A fluorescence anisotropy assay to discover and characterize ligands targeting the maytansine site of tubulin.
Nat Commun, 9, 2018
4ZSW
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BU of 4zsw by Molmil
Pig Brain GABA-AT inactivated by (E)-(1S,3S)-3-Amino-4-fluoromethylenyl-1-cyclopentanoic acid
Descriptor: (1S)-4-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]cyclopent-3-ene-1,3-dicarboxylic acid, 4-aminobutyrate aminotransferase, mitochondrial, ...
Authors:Wu, R, Lee, H, Le, H.V, Doud, E, Sanishvili, R, Compton, P, Kelleher, N.L, Silverman, R.B, Liu, D.
Deposit date:2015-05-14
Release date:2015-07-08
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Mechanism of Inactivation of GABA Aminotransferase by (E)- and (Z)-(1S,3S)-3-Amino-4-fluoromethylenyl-1-cyclopentanoic Acid.
Acs Chem.Biol., 10, 2015
7X7R
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BU of 7x7r by Molmil
Cryo-EM structure of a bacterial protein
Descriptor: RAMP superfamily protein, RNA (36-MER), RNA (5'-R(P*AP*GP*UP*CP*CP*GP*GP*GP*GP*CP*AP*GP*AP*AP*AP*AP*UP*UP*GP*G)-3'), ...
Authors:Yu, G, Wang, X, Deng, Z, Zhang, H.
Deposit date:2022-03-10
Release date:2022-11-16
Last modified:2025-06-25
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structure and function of a bacterial type III-E CRISPR-Cas7-11 complex.
Nat Microbiol, 7, 2022
7X8A
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BU of 7x8a by Molmil
Cryo-EM structure of a bacterial protein complex
Descriptor: CHAT domain protein, RAMP superfamily protein, RNA (33-MER), ...
Authors:Yu, G, Wang, X, Deng, Z, Zhang, H.
Deposit date:2022-03-11
Release date:2022-11-16
Last modified:2025-06-25
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Structure and function of a bacterial type III-E CRISPR-Cas7-11 complex.
Nat Microbiol, 7, 2022
5AAV
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BU of 5aav by Molmil
Optimization of a novel binding motif to to (E)-3-(3,5-difluoro-4-((1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-2,3,4,9-tetrahydro-1H- pyrido(3,4-b)indol-1-yl)phenyl)acrylic acid (AZD9496), a potent and orally bioavailable selective estrogen receptor downregulator and antagonist
Descriptor: (2E)-3-{4-[(1E)-1,2-DIPHENYLBUT-1-ENYL]PHENYL}ACRYLIC ACID, ESTROGEN RECEPTOR
Authors:Norman, R.A, Bradbury, R.H, de Almeida, C, Andrews, D.M, Ballard, P, Buttar, D, Callis, R.J, Currie, G.S, Curwen, J.O, Davies, C.D, de Savi, C, Donald, C.S, Feron, L.J.L, Glossop, S.C, Hayter, B.R, Karoutchi, G, Lamont, S.G, MacFaul, P, Moss, T, Pearson, S.E, Rabow, A.A, Tonge, M, Walker, G.E, Weir, H.M, Wilson, Z.
Deposit date:2015-07-29
Release date:2015-10-14
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Optimization of a Novel Binding Motif to (E)-3-(3,5-Difluoro-4-((1R,3R)-2-(2-Fluoro-2-Methylpropyl)-3-Methyl-2, 3,4,9-Tetrahydro-1H-Pyrido[3,4-B]Indol-1-Yl)Phenyl)Acrylic Acid (Azd9496), a Potent and Orally Bioavailable Selective Estrogen Receptor Downregulator and Antagonist.
J.Med.Chem., 58, 2015
5AAU
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BU of 5aau by Molmil
Optimization of a novel binding motif to to (E)-3-(3,5-difluoro-4-((1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-2,3,4,9-tetrahydro-1H- pyrido(3,4-b)indol-1-yl)phenyl)acrylic acid (AZD9496), a potent and orally bioavailable selective estrogen receptor downregulator and antagonist
Descriptor: 3-(1-(4-Chlorophenyl)-3,4-dihydro-1H-pyrido(3,4-b)indol-2(9H)-yl)propanoic acid, ESTROGEN RECEPTOR
Authors:Norman, R.A, Bradbury, R.H, de Almeida, C, Andrews, D.M, Ballard, P, Buttar, D, Callis, R.J, Currie, G.S, Curwen, J.O, Davies, C.D, de Savi, C, Donald, C.S, Feron, L.J.L, Glossop, S.C, Hayter, B.R, Karoutchi, G, Lamont, S.G, MacFaul, P, Moss, T, Pearson, S.E, Rabow, A.A, Tonge, M, Walker, G.E, Weir, H.M, Wilson, Z.
Deposit date:2015-07-28
Release date:2015-10-14
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Optimization of a Novel Binding Motif to (E)-3-(3,5-Difluoro-4-((1R,3R)-2-(2-Fluoro-2-Methylpropyl)-3-Methyl-2, 3,4,9-Tetrahydro-1H-Pyrido[3,4-B]Indol-1-Yl)Phenyl)Acrylic Acid (Azd9496), a Potent and Orally Bioavailable Selective Estrogen Receptor Downregulator and Antagonist.
J.Med.Chem., 58, 2015
9B0O
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BU of 9b0o by Molmil
In situ human Post-eEF1A-A/T-P-Z state 80S ribosome
Descriptor: 18S rRNA, 28S rRNA, 40S ribosomal protein S10, ...
Authors:Wei, Z, Yong, X.
Deposit date:2024-03-12
Release date:2025-04-30
Method:ELECTRON MICROSCOPY (2.83 Å)
Cite:In situ human Post-eEF1A-A/T-P-Z state 80S ribosome
To Be Published
5UHY
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BU of 5uhy by Molmil
A Human Antibody Against Zika Virus Crosslinks the E Protein to Prevent Infection
Descriptor: ZV67 Fab chain 1, ZV67 Fab chain 2, envelope protein
Authors:Hasan, S.S, Miller, A, Sapparapu, G, Fernandez, E, Klose, T, Long, F, Fokine, A, Porta, J.C, Jiang, W, Diamond, M.S, Crowe Jr, J.E, Kuhn, R.J, Rossmann, M.G.
Deposit date:2017-01-12
Release date:2017-03-29
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (6.2 Å)
Cite:A human antibody against Zika virus crosslinks the E protein to prevent infection.
Nat Commun, 8, 2017
7XC7
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BU of 7xc7 by Molmil
Cryo-EM structure of a bacterial protein complex
Descriptor: CHAT domain protein, RAMP superfamily protein, RNA (33-MER), ...
Authors:Yu, G, Wang, X, Deng, Z, Zhang, H.
Deposit date:2022-03-23
Release date:2022-11-16
Last modified:2025-06-25
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structure and function of a bacterial type III-E CRISPR-Cas7-11 complex.
Nat Microbiol, 7, 2022
7X7A
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BU of 7x7a by Molmil
Cryo-EM structure of SbCas7-11 in complex with crRNA and target RNA
Descriptor: RAMP superfamily protein, RNA (33-MER), ZINC ION
Authors:Yu, G, Wang, X, Deng, Z, Zhang, H.
Deposit date:2022-03-09
Release date:2022-11-16
Last modified:2025-06-25
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structure and function of a bacterial type III-E CRISPR-Cas7-11 complex.
Nat Microbiol, 7, 2022
2VMK
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BU of 2vmk by Molmil
Crystal Structure of E. coli RNase E Apoprotein - Catalytic Domain
Descriptor: RIBONUCLEASE E, SULFATE ION, ZINC ION
Authors:Koslover, D.J, Callaghan, A.J, Marcaida, M.J, Martick, M, Scott, W.G, Luisi, B.F.
Deposit date:2008-01-28
Release date:2008-07-22
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:The Crystal Structure of the Escherichia Coli Rnase E Apoprotein and a Mechanism for RNA Degradation.
Structure, 16, 2008
9IJ0
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BU of 9ij0 by Molmil
Cryo-EM Structure of MILI-piRNA-target (8-nt)
Descriptor: MAGNESIUM ION, Piwi-like protein 2, RNA (26-MER), ...
Authors:Li, Z.Q, Xu, Q.K, Wu, J.P, Shen, E.Z.
Deposit date:2024-06-21
Release date:2024-11-13
Last modified:2025-07-16
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structural insights into RNA cleavage by PIWI Argonaute.
Nature, 639, 2025
5UOY
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BU of 5uoy by Molmil
Crystal structure of human PDE1B catalytic domain in complex with inhibitor 16j (6-(4-Methoxybenzyl)-9-((tetrahydro-2H-pyran-4-yl)methyl)-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-5(6H)-one)
Descriptor: 6-[(4-methoxyphenyl)methyl]-9-[(oxan-4-yl)methyl]-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-5(6H)-one, Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B, MAGNESIUM ION, ...
Authors:Cedervall, E.P, Allerston, C.K, Xu, R, Sridhar, V, Barker, R, Aertgeerts, K.
Deposit date:2017-02-01
Release date:2017-04-26
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Discovery of Selective Phosphodiesterase 1 Inhibitors with Memory Enhancing Properties.
J. Med. Chem., 60, 2017
5EG0
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BU of 5eg0 by Molmil
HOXB13-MEIS1 heterodimer bound to DNA
Descriptor: DNA (5'-D(*CP*CP*TP*CP*GP*TP*AP*AP*AP*AP*CP*TP*GP*TP*CP*AP*AP*C)-3'), DNA (5'-D(P*GP*TP*TP*GP*AP*CP*AP*GP*TP*TP*TP*TP*AP*CP*GP*AP*GP*G)-3'), Homeobox protein Hox-B13, ...
Authors:Morgunova, E, Yin, Y, Jolma, A, Popov, A, Taipale, J.
Deposit date:2015-10-26
Release date:2016-11-09
Last modified:2025-04-23
Method:X-RAY DIFFRACTION (3.101 Å)
Cite:DNA-guided transcription factor interactions extend human gene regulatory code.
Nature, 2025
7DFM
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BU of 7dfm by Molmil
Crystal structure of glycoside hydrolase family 11 beta-xylanase from Streptomyces olivaceoviridis E-86
Descriptor: CHLORIDE ION, Endo-1,4-beta-xylanase
Authors:Fujimoto, Z, Kishine, N, Kaneko, S.
Deposit date:2020-11-09
Release date:2020-12-30
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure-based substrate specificity analysis of GH11 xylanase from Streptomyces olivaceoviridis E-86.
Appl.Microbiol.Biotechnol., 105, 2021
7DFO
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BU of 7dfo by Molmil
Crystal structure of glycoside hydrolase family 11 beta-xylanase from Streptomyces olivaceoviridis E-86 in complex with 4-O-methyl-alpha-D-glucuronopyranosyl xylotetraose
Descriptor: 4-O-methyl-alpha-D-glucopyranuronic acid-(1-2)-[beta-D-xylopyranose-(1-4)]beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose, 4-O-methyl-alpha-D-glucopyranuronic acid-(1-2)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose, CHLORIDE ION, ...
Authors:Fujimoto, Z, Kishine, N, Kaneko, S.
Deposit date:2020-11-09
Release date:2020-12-30
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-based substrate specificity analysis of GH11 xylanase from Streptomyces olivaceoviridis E-86.
Appl.Microbiol.Biotechnol., 105, 2021

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