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8BU7
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BU of 8bu7 by Molmil
Structure of DDB1 bound to 21195-engaged CDK12-cyclin K
Descriptor: 1,2-ETHANEDIOL, 1-[2,6-bis(chloranyl)phenyl]-6-[[4-(2-hydroxyethyloxy)phenyl]methyl]-3-propan-2-yl-5H-pyrazolo[3,4-d]pyrimidin-4-one, Cyclin-K, ...
Authors:Kozicka, Z, Kempf, G, Petzold, G, Thoma, N.H.
Deposit date:2022-11-30
Release date:2023-09-13
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (3.245 Å)
Cite:Design principles for cyclin K molecular glue degraders.
Nat.Chem.Biol., 20, 2024
8BUA
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BU of 8bua by Molmil
Structure of DDB1 bound to 919278-engaged CDK12-cyclin K
Descriptor: (2~{R})-~{N}-(1~{H}-benzimidazol-2-yl)-2-(3-oxidanylidene-1~{H}-isoindol-2-yl)propanamide, CITRIC ACID, Cyclin-K, ...
Authors:Kozicka, Z, Kempf, G, Petzold, G, Thoma, N.H.
Deposit date:2022-11-30
Release date:2023-09-13
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (3.193 Å)
Cite:Design principles for cyclin K molecular glue degraders.
Nat.Chem.Biol., 20, 2024
8BUJ
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BU of 8buj by Molmil
Structure of DDB1 bound to DS06-engaged CDK12-cyclin K
Descriptor: (2~{R})-2-[[6-(octylamino)-9-propan-2-yl-purin-2-yl]amino]butan-1-ol, Cyclin-K, Cyclin-dependent kinase 12, ...
Authors:Kozicka, Z, Kempf, G, Petzold, G, Thoma, N.H.
Deposit date:2022-11-30
Release date:2023-09-13
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (3.62 Å)
Cite:Design principles for cyclin K molecular glue degraders.
Nat.Chem.Biol., 20, 2024
8BUO
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BU of 8buo by Molmil
Structure of DDB1 bound to DS24-engaged CDK12-cyclin K
Descriptor: (2~{R})-2-[[6-[(3-fluoranyl-4-pyridin-2-yl-phenyl)methylamino]-9-propan-2-yl-purin-2-yl]amino]butan-1-ol, Cyclin-K, Cyclin-dependent kinase 12, ...
Authors:Kozicka, Z, Kempf, G, Petzold, G, Thoma, N.H.
Deposit date:2022-11-30
Release date:2023-09-13
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (3.58 Å)
Cite:Design principles for cyclin K molecular glue degraders.
Nat.Chem.Biol., 20, 2024
7SIE
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BU of 7sie by Molmil
Structure of AAP A-domain (residues 351-605) from Staphylococcus epidermidis
Descriptor: Accumulation associated protein, CALCIUM ION, CHLORIDE ION
Authors:Atkin, K.E, Brentnall, A.S, Dodson, E.J, Whelan, F, Clark, L, Turkenburg, J.P, Potts, J.R.
Deposit date:2021-10-13
Release date:2022-10-19
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Staphylococcal Periscope proteins Aap, SasG, and Pls project noncanonical legume-like lectin adhesin domains from the bacterial surface.
J.Biol.Chem., 299, 2023
6GM1
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BU of 6gm1 by Molmil
[FeFe]-hydrogenase CpI from Clostridium pasteurianum, variant E282A
Descriptor: FE2/S2 (INORGANIC) CLUSTER, IRON/SULFUR CLUSTER, Iron hydrogenase 1, ...
Authors:Duan, J, Esselborn, J, Hofmann, E, Winkler, M, Happe, T.
Deposit date:2018-05-24
Release date:2018-11-07
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystallographic and spectroscopic assignment of the proton transfer pathway in [FeFe]-hydrogenases.
Nat Commun, 9, 2018
6GM8
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BU of 6gm8 by Molmil
[FeFe]-hydrogenase CpI from Clostridium pasteurianum, variant E282Q
Descriptor: FE2/S2 (INORGANIC) CLUSTER, IRON/SULFUR CLUSTER, Iron hydrogenase 1, ...
Authors:Duan, J, Esselborn, J, Hofmann, E, Winkler, M, Happe, T.
Deposit date:2018-05-24
Release date:2018-11-07
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Crystallographic and spectroscopic assignment of the proton transfer pathway in [FeFe]-hydrogenases.
Nat Commun, 9, 2018
6NO5
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BU of 6no5 by Molmil
ADP bound to K46bE&K114bD mutant ATP-grasp fold of Blastocystis hominis succinyl-CoA synthetase
Descriptor: ADENOSINE-5'-DIPHOSPHATE, AMMONIUM ION, MAGNESIUM ION, ...
Authors:Huang, J, Fraser, M.E.
Deposit date:2019-01-15
Release date:2019-07-17
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.069 Å)
Cite:ATP-specificity of succinyl-CoA synthetase from Blastocystis hominis.
Acta Crystallogr D Struct Biol, 75, 2019
9BPG
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BU of 9bpg by Molmil
Artemia franciscana ATP synthase FO domain, state 1, pH 7.0
Descriptor: ATP synthase protein 8, ATP synthase subunit 6.8PL, ATP synthase subunit a, ...
Authors:Mnatsakanyan, N, Mello, J.F.R.
Deposit date:2024-05-07
Release date:2025-03-26
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Cryo-EM structure of the brine shrimp mitochondrial ATP synthase suggests an inactivation mechanism for the ATP synthase leak channel.
Cell Death Differ., 2025
6Q68
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BU of 6q68 by Molmil
Crystal structure of bovine ACBD3 GOLD domain in complex with 3A protein of enterovirus-F2 (fusion protein)
Descriptor: Acyl-CoA binding domain containing 3, Genome polyprotein, beta-D-glucopyranose
Authors:Smola, M, Boura, E, Klima, M.
Deposit date:2018-12-10
Release date:2019-11-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.161 Å)
Cite:Structural basis for hijacking of the host ACBD3 protein by bovine and porcine enteroviruses and kobuviruses.
Arch. Virol., 165, 2020
8OU8
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BU of 8ou8 by Molmil
Crystal structure of E. coli threonyl tRNA synthetase in complex with a TM84 analogue
Descriptor: 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, Threonine--tRNA ligase, ...
Authors:Rodriguez Buitrago, J.A, Parisini, E, Aigars, J.
Deposit date:2023-04-22
Release date:2023-07-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Synthesis and evaluation of an agrocin 84 toxic moiety (TM84) analogue as a malarial threonyl tRNA synthetase inhibitor.
Org.Biomol.Chem., 21, 2023
6GM0
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BU of 6gm0 by Molmil
[FeFe]-hydrogenase CpI from Clostridium pasteurianum, variant E279Q
Descriptor: FE2/S2 (INORGANIC) CLUSTER, IRON/SULFUR CLUSTER, Iron hydrogenase 1, ...
Authors:Duan, J, Esselborn, J, Hofmann, E, Winkler, M, Happe, T.
Deposit date:2018-05-24
Release date:2018-11-07
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Crystallographic and spectroscopic assignment of the proton transfer pathway in [FeFe]-hydrogenases.
Nat Commun, 9, 2018
7QRG
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BU of 7qrg by Molmil
Structure of the post-fusion complex between precursor membrane ectodomain (prM) and envelope ectodomain protein (E) from tick-borne encephalitis virus
Descriptor: Envelope protein E, GLYCEROL, Genome polyprotein
Authors:Vaney, M.C, Rouvinski, A, Rey, F.A.
Deposit date:2022-01-11
Release date:2022-05-25
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Evolution and activation mechanism of the flavivirus class II membrane-fusion machinery.
Nat Commun, 13, 2022
8TFW
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BU of 8tfw by Molmil
FphE, Staphylococcus aureus fluorophosphonate-binding serine hydrolases E, boronic acid-based compound N34 bound
Descriptor: Fluorophosphonate-binding serine hydrolase E, MAGNESIUM ION, [5-(trifluoromethyl)thiophen-2-yl]boronic acid
Authors:Fellner, M.
Deposit date:2023-07-12
Release date:2024-07-24
Last modified:2025-06-25
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Identification of covalent inhibitors of Staphylococcus aureus serine hydrolases important for virulence and biofilm formation.
Nat Commun, 16, 2025
6NO0
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BU of 6no0 by Molmil
ADP bound to ATP-grasp fold of Blastocystis hominis succinyl-CoA synthetase
Descriptor: ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Huang, J, Fraser, M.E.
Deposit date:2019-01-15
Release date:2019-07-17
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.209 Å)
Cite:ATP-specificity of succinyl-CoA synthetase from Blastocystis hominis.
Acta Crystallogr D Struct Biol, 75, 2019
6GLY
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BU of 6gly by Molmil
[FeFe]-hydrogenase CpI from Clostridium pasteurianum, variant C299A
Descriptor: FE2/S2 (INORGANIC) CLUSTER, IRON/SULFUR CLUSTER, Iron hydrogenase 1, ...
Authors:Duan, J, Esselborn, J, Hofmann, E, Winkler, M, Happe, T.
Deposit date:2018-05-24
Release date:2018-11-07
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Crystallographic and spectroscopic assignment of the proton transfer pathway in [FeFe]-hydrogenases.
Nat Commun, 9, 2018
8T9G
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BU of 8t9g by Molmil
Automethylated PRC2 dimer bound to nucleosome
Descriptor: DNA (226-MER), Histone H2A type 1, Histone H2B 1.1, ...
Authors:Sauer, P.V, Pavlenko, E, Nogales, E, Poepsel, S.
Deposit date:2023-06-23
Release date:2024-09-25
Last modified:2024-11-06
Method:ELECTRON MICROSCOPY (6.2 Å)
Cite:Activation of automethylated PRC2 by dimerization on chromatin.
Mol.Cell, 84, 2024
3FF7
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BU of 3ff7 by Molmil
Structure of NK cell receptor KLRG1 bound to E-cadherin
Descriptor: ACETIC ACID, Epithelial cadherin, Killer cell lectin-like receptor subfamily G member 1
Authors:Li, Y, Mariuzza, R.A.
Deposit date:2008-12-02
Release date:2009-07-28
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of natural killer cell receptor KLRG1 bound to E-cadherin reveals basis for MHC-independent missing self recognition.
Immunity, 31, 2009
6H6S
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BU of 6h6s by Molmil
Sad phasing on nickel-substituted human carbonic anhydrase II
Descriptor: Carbonic anhydrase 2, NICKEL (II) ION
Authors:Calderone, V, Fragai, M, Silva, J.P, Luchinat, C, Ravera, E, Geraldes, C.F.G.C, Macedo, A.L, Cerofolini, L, Giuntini, S.
Deposit date:2018-07-30
Release date:2019-01-09
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Non-crystallographic symmetry in proteins: Jahn-Teller-like and Butterfly-like effects?
J. Biol. Inorg. Chem., 24, 2019
8VML
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BU of 8vml by Molmil
PRC2_AJ1-450 bound to H3K4me3
Descriptor: AEPB2, EED, EZH2, ...
Authors:Cookis, T, Nogales, E.
Deposit date:2024-01-13
Release date:2025-01-15
Last modified:2025-03-05
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structural basis for the inhibition of PRC2 by active transcription histone posttranslational modifications.
Nat.Struct.Mol.Biol., 32, 2025
8VNZ
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BU of 8vnz by Molmil
PRC2_AJ1-450 bound to H3K36me3-modified nucleosome with histone H3 tail disengaged
Descriptor: Histone-binding protein RBBP4, Histone-lysine N-methyltransferase EZH2, Isoform 3 of Zinc finger protein AEBP2, ...
Authors:Cookis, T, Nogales, E.
Deposit date:2024-01-14
Release date:2025-01-15
Last modified:2025-05-14
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structural basis for the inhibition of PRC2 by active transcription histone posttranslational modifications.
Nat.Struct.Mol.Biol., 32, 2025
3F83
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BU of 3f83 by Molmil
Structure of fusion complex of the minor pilin CfaE and major pilin CfaB of CFA/I pili from ETEC E. coli
Descriptor: Fusion of the minor pilin CfaE and major pilin CfaB, SODIUM ION, SULFATE ION
Authors:Xia, D, Li, Y.F.
Deposit date:2008-11-11
Release date:2009-08-11
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of CFA/I fimbriae from enterotoxigenic Escherichia coli.
Proc.Natl.Acad.Sci.USA, 106, 2009
8TAS
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BU of 8tas by Molmil
PRC2 monomer bound to nucleosome
Descriptor: DNA (226-MER), Histone H2A, Histone H2B 1.1, ...
Authors:Sauer, P.V, Pavlenko, E, Nogales, E, Poepsel, S.
Deposit date:2023-06-27
Release date:2024-09-25
Last modified:2024-11-06
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Activation of automethylated PRC2 by dimerization on chromatin.
Mol.Cell, 84, 2024
8TB9
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BU of 8tb9 by Molmil
PRC2-J119-450 monomer bound to H1-nucleosome
Descriptor: DNA (226-MER), Histone H1.0, Histone H2A type 1, ...
Authors:Sauer, P.V, Cookis, T, Pavlenko, E, Nogales, E, Poepsel, S.
Deposit date:2023-06-28
Release date:2024-09-25
Last modified:2024-11-06
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Activation of automethylated PRC2 by dimerization on chromatin.
Mol.Cell, 84, 2024
6GM4
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BU of 6gm4 by Molmil
[FeFe]-hydrogenase CpI from Clostridium pasteurianum, variant S319A
Descriptor: FE2/S2 (INORGANIC) CLUSTER, IRON/SULFUR CLUSTER, Iron hydrogenase 1, ...
Authors:Duan, J, Esselborn, J, Hofmann, E, Winkler, M, Happe, T.
Deposit date:2018-05-24
Release date:2018-11-07
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Crystallographic and spectroscopic assignment of the proton transfer pathway in [FeFe]-hydrogenases.
Nat Commun, 9, 2018

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