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7AEO
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BU of 7aeo by Molmil
Human ARTD2 in complex with DNA oligonucleotides
Descriptor: DNA, Poly [ADP-ribose] polymerase 2, SULFATE ION
Authors:Obaji, E, Maksimainen, M.M, Galera-Prat, A, Lehtio, L.
Deposit date:2020-09-17
Release date:2021-05-19
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Activation of PARP2/ARTD2 by DNA damage induces conformational changes relieving enzyme autoinhibition.
Nat Commun, 12, 2021
8HB9
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BU of 8hb9 by Molmil
Crystal Structure of Human IDH1 R132H Mutant in Complex with NADPH and Compound IHMT-IDH1-053
Descriptor: DI(HYDROXYETHYL)ETHER, GLYCEROL, Isocitrate dehydrogenase [NADP] cytoplasmic, ...
Authors:Guo, G, Wang, B, Liu, J, Liu, Q.
Deposit date:2022-10-27
Release date:2023-05-24
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure-based discovery of IHMT-IDH1-053 as a potent irreversible IDH1 mutant selective inhibitor.
Eur.J.Med.Chem., 256, 2023
8HFK
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BU of 8hfk by Molmil
Crystal Structure of CbAR mutant (H162F) in complex with NADP+ and halogenated aryl ketone
Descriptor: 2-bromanyl-1-(4-bromanyl-2-oxidanyl-phenyl)ethanone, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Versicolorin reductase
Authors:Hou, X.D, Yin, D.J, Rao, Y.J.
Deposit date:2022-11-10
Release date:2023-06-07
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural analysis of an anthrol reductase inspires enantioselective synthesis of enantiopure hydroxycycloketones and beta-halohydrins.
Nat Commun, 14, 2023
8GYM
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BU of 8gym by Molmil
Cryo-EM structure of Tetrahymena thermophila respiratory mega-complex MC IV2+(I+III2+II)2
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DILAUROYL-SN-GLYCERO-3-PHOSPHATE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, ...
Authors:Wu, M.C, Hu, Y.Q, Han, F.Z, Zhou, L.
Deposit date:2022-09-23
Release date:2023-06-14
Method:ELECTRON MICROSCOPY (2.96 Å)
Cite:Structures of Tetrahymena thermophila respiratory megacomplexes on the tubular mitochondrial cristae.
Nat Commun, 14, 2023
8RRY
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BU of 8rry by Molmil
Crystal structure of copper-loaded SmAA10
Descriptor: CBP21, CITRIC ACID, COPPER (II) ION, ...
Authors:Munzone, A, Pujol, M, Reglier, M, Royant, A, Simaan, A.J, Decroos, C.
Deposit date:2024-01-24
Release date:2024-06-12
Last modified:2024-06-26
Method:X-RAY DIFFRACTION (1.45561326 Å)
Cite:Integrated Experimental and Theoretical Investigation of Copper Active Site Properties of a Lytic Polysaccharide Monooxygenase from Serratia marcescens.
Inorg.Chem., 63, 2024
7AZ1
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BU of 7az1 by Molmil
14-3-3 sigma with Pin1 binding site pS72 and covalently bound LvD1013
Descriptor: 1-[4-methyl-3-(trifluoromethyl)phenyl]-2-phenyl-imidazole, 14-3-3 protein sigma, CALCIUM ION, ...
Authors:Wolter, M, Dijck, L.v, Ottmann, C.
Deposit date:2020-11-14
Release date:2021-06-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Reversible Covalent Imine-Tethering for Selective Stabilization of 14-3-3 Hub Protein Interactions.
J.Am.Chem.Soc., 143, 2021
7AYF
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BU of 7ayf by Molmil
14-3-3 sigma with Pin1 binding site pS72 and covalently bound TCF521-110
Descriptor: 14-3-3 protein sigma, 6-(2-bromanylimidazol-1-yl)pyridine-3-carbaldehyde, CALCIUM ION, ...
Authors:Wolter, M, Dijck, L.v, Ottmann, C.
Deposit date:2020-11-12
Release date:2021-06-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.752 Å)
Cite:Reversible Covalent Imine-Tethering for Selective Stabilization of 14-3-3 Hub Protein Interactions.
J.Am.Chem.Soc., 143, 2021
7ANE
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BU of 7ane by Molmil
Leishmania Major mitochondrial ribosome
Descriptor: 30S Ribosomal protein S17-like protein, 50S ribosomal protein L13-like protein, AKAP7_NLS domain-containing protein, ...
Authors:Soufari, H, Waltz, F, Parrot, C, Bochler, A, Hashem, Y.
Deposit date:2020-10-11
Release date:2021-06-23
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Structure of the mature kinetoplastids mitoribosome and insights into its large subunit biogenesis.
Proc.Natl.Acad.Sci.USA, 117, 2020
7AZ2
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BU of 7az2 by Molmil
14-3-3 sigma with Pin1 binding site pS72 and covalently bound LvD1014
Descriptor: 1-[4-methyl-2-(trifluoromethyl)phenyl]-2-phenyl-imidazole, 14-3-3 protein sigma, CALCIUM ION, ...
Authors:Wolter, M, Dijck, L.v, Ottmann, C.
Deposit date:2020-11-14
Release date:2021-06-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.081 Å)
Cite:Reversible Covalent Imine-Tethering for Selective Stabilization of 14-3-3 Hub Protein Interactions.
J.Am.Chem.Soc., 143, 2021
7AKP
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BU of 7akp by Molmil
Crystal structure of E. coli RNA helicase HrpA-D305A
Descriptor: ATP-dependent RNA helicase HrpA
Authors:Grass, L.M, Wollenhaupt, J, Barthel, T, Loll, B, Wahl, M.C.
Deposit date:2020-10-01
Release date:2021-06-30
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Large-scale ratcheting in a bacterial DEAH/RHA-type RNA helicase that modulates antibiotics susceptibility.
Proc.Natl.Acad.Sci.USA, 118, 2021
7ALK
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BU of 7alk by Molmil
Structure of Drosophila C2-DSL-EGF1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Neurogenic locus protein delta, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Suckling, R, Johnson, S, Lea, S.M.
Deposit date:2020-10-06
Release date:2021-08-04
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3 Å)
Cite:The conserved C2 phospholipid-binding domain in Delta contributes to robust Notch signalling.
Embo Rep., 22, 2021
7ALJ
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BU of 7alj by Molmil
Structure of Drosophila Notch EGF domains 11-13
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Neurogenic locus Notch protein, ...
Authors:Suckling, R, Johnson, S, Lea, S.M.
Deposit date:2020-10-06
Release date:2021-08-04
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:The conserved C2 phospholipid-binding domain in Delta contributes to robust Notch signalling.
Embo Rep., 22, 2021
8HI8
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BU of 8hi8 by Molmil
Crystal structure of a holoenzyme TglHI with three Fe ions for Pseudomonas syringae Peptidyl (S) 2-mercaptoglycine biosynthesis
Descriptor: DUF692 family protein, FE (III) ION, RiPP Recognition Protein
Authors:Cheng, W, Zheng, Y.H, Fu, X.L.
Deposit date:2022-11-18
Release date:2023-08-23
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.49 Å)
Cite:Structures of the holoenzyme TglHI required for 3-thiaglutamate biosynthesis.
Structure, 31, 2023
7AH8
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BU of 7ah8 by Molmil
NF-Y bound to suramin inhibitor
Descriptor: 8,8'-[CARBONYLBIS[IMINO-3,1-PHENYLENECARBONYLIMINO(4-METHYL-3,1-PHENYLENE)CARBONYLIMINO]]BIS-1,3,5-NAPHTHALENETRISULFON IC ACID, CITRATE ANION, GLYCEROL, ...
Authors:Nardone, V, Chaves-Sanjuan, A, Lapi, M, Nardini, M.
Deposit date:2020-09-24
Release date:2021-08-04
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.70001364 Å)
Cite:Structural Basis of Inhibition of the Pioneer Transcription Factor NF-Y by Suramin.
Cells, 9, 2020
8HI7
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BU of 8hi7 by Molmil
Crystal structure of a holoenzyme TglHI with two Fe irons for Pseudomonas syringae Peptidyl (S) 2-mercaptoglycine biosynthesis
Descriptor: DUF692 family protein, FE (III) ION, RiPP Recognition protein
Authors:Cheng, W, Zheng, Y.H, Fu, X.L.
Deposit date:2022-11-18
Release date:2023-08-23
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:Structures of the holoenzyme TglHI required for 3-thiaglutamate biosynthesis.
Structure, 31, 2023
8HCI
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BU of 8hci by Molmil
Crystal structure of a holoenzyme Fe-free TglHI for Pseudomonas syringae Peptidyl (S) 2-mercaptoglycine biosynthesis
Descriptor: DUF692 family protein, RiPP Recognition protein
Authors:Cheng, W, Zheng, Y.H, Fu, X.L.
Deposit date:2022-11-01
Release date:2023-08-23
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.399 Å)
Cite:Structures of the holoenzyme TglHI required for 3-thiaglutamate biosynthesis.
Structure, 31, 2023
8H2D
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BU of 8h2d by Molmil
The hypothetical protein from Mycobacterium tuberculosis mutant - E47A
Descriptor: Uncharacterized protein Rv1546
Authors:Kim, D.H, Na, Y, Lee, B.J.
Deposit date:2022-10-05
Release date:2023-09-06
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Domain swapping of the C-terminal helix promotes the dimerization of a novel ribonuclease protein from Mycobacterium tuberculosis.
Protein Sci., 32, 2023
7AOS
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BU of 7aos by Molmil
crystal structure of the RARalpha/RXRalpha ligand binding domain heterodimer in complex with a fragment of SRC1 coactivator
Descriptor: 4-{[(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)carbonyl]amino}benzoic acid, 6-[1-(3,5,5,8,8-PENTAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL)CYCLOPROPYL]PYRIDINE-3-CARBOXYLIC ACID, GLYCEROL, ...
Authors:le Maire, A, Guee, L, Bourguet, W.
Deposit date:2020-10-15
Release date:2021-08-04
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Structural Insights into the Interaction of the Intrinsically Disordered Co-activator TIF2 with Retinoic Acid Receptor Heterodimer (RXR/RAR).
J.Mol.Biol., 433, 2021
7APO
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BU of 7apo by Molmil
Crystal structure of RARalpha ligand binding domain in complex with a fragment of the TIF2 coactivator
Descriptor: 4-{[(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)carbonyl]amino}benzoic acid, GLYCEROL, Nuclear receptor coactivator 2, ...
Authors:le Maire, A, Guee, L, Bourguet, W.
Deposit date:2020-10-19
Release date:2021-08-04
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural Insights into the Interaction of the Intrinsically Disordered Co-activator TIF2 with Retinoic Acid Receptor Heterodimer (RXR/RAR).
J.Mol.Biol., 433, 2021
7ALT
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BU of 7alt by Molmil
Structure of Drosophila Serrate C2-DSL-EGF1-EGF2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Suckling, R, Johnson, S, Lea, S.M.
Deposit date:2020-10-07
Release date:2021-08-04
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:The conserved C2 phospholipid-binding domain in Delta contributes to robust Notch signalling.
Embo Rep., 22, 2021
7ATO
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BU of 7ato by Molmil
Structure of P. aeruginosa PBP3 in complex with an aryl boronic acid (Compound 2)
Descriptor: (5-methyl-1H-indazol-6-yl)boronic acid, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Newman, H, Bellini, B, Dowson, C.G.
Deposit date:2020-10-30
Release date:2021-08-11
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.587 Å)
Cite:High-Throughput Crystallography Reveals Boron-Containing Inhibitors of a Penicillin-Binding Protein with Di- and Tricovalent Binding Modes.
J.Med.Chem., 64, 2021
8RTC
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BU of 8rtc by Molmil
Rap from bacteriophage Phi3T in presence of pheromone RGHTS
Descriptor: Glycerol ethoxylate, Pheromone RGHTS, Rap3T
Authors:Felipe-Ruiz, A, Zamora-Caballero, S, Marina, A.
Deposit date:2024-01-25
Release date:2024-07-24
Last modified:2024-08-28
Method:X-RAY DIFFRACTION (2.83 Å)
Cite:Extracellular proteolysis of tandemly duplicated pheromone propeptides affords additional complexity to bacterial quorum sensing.
Plos Biol., 22, 2024
8RST
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BU of 8rst by Molmil
Rap from bacteriophage Phi3T in presence of pheromone SRGHTS
Descriptor: Glycerol ethoxylate, Rap3T, SRGHTS, ...
Authors:Felipe-Ruiz, A, Zamora-Caballero, S, Marina, A.
Deposit date:2024-01-25
Release date:2024-07-24
Last modified:2024-08-28
Method:X-RAY DIFFRACTION (2.56 Å)
Cite:Extracellular proteolysis of tandemly duplicated pheromone propeptides affords additional complexity to bacterial quorum sensing.
Plos Biol., 22, 2024
8RTE
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BU of 8rte by Molmil
Rap from bacteriophage Phi105 with peptide ERPVGT
Descriptor: Peptide ERPVGT, Rap105
Authors:Felipe-Ruiz, A, Zamora-Caballero, S, Marina, A.
Deposit date:2024-01-25
Release date:2024-07-24
Last modified:2024-08-28
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Extracellular proteolysis of tandemly duplicated pheromone propeptides affords additional complexity to bacterial quorum sensing.
Plos Biol., 22, 2024
7APJ
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BU of 7apj by Molmil
Structure of autoinhibited Akt1 reveals mechanism of PIP3-mediated activation
Descriptor: NB41, RAC-alpha serine/threonine-protein kinase,Non-specific serine/threonine protein kinase,RAC-alpha serine/threonine-protein kinase
Authors:Truebestein, L, Hornegger, H, Leonard, T.A.
Deposit date:2020-10-16
Release date:2021-08-25
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structure of autoinhibited Akt1 reveals mechanism of PIP 3 -mediated activation.
Proc.Natl.Acad.Sci.USA, 118, 2021

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